diff --git a/navipy/forecasting/src/ESNs/ESN.m b/navipy/forecasting/src/ESNs/ESN.m new file mode 100644 index 0000000000000000000000000000000000000000..da899bd6e73ad78d6738be1eda2c4bc9bf191dce --- /dev/null +++ b/navipy/forecasting/src/ESNs/ESN.m @@ -0,0 +1,409 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% Modified by Alexander Schulz and Benjamin Paaßen in 2017 +% ( {aschulz,bpaassen}@techfak.uni-bielefeld.de) + + +classdef ESN < Learner +%ESN Summary of this class goes here +% Detailed explanation goes here +% +% + + properties + + hidDim = 10; % number of neurons in the hidden layer + wInp = []; % weights from input layer to hidden layer + wRes = []; % weights from hidden layer to hidden layer + wOut = []; % weights from hidden layer to output layer + bias = []; % bias parameters for activation function + a = []; % activation of the hidden layer + %aNew = []; % temporal activation, weighted with dt and added to old activation + h = []; % set by the act function + h_old = []; + y = []; % is this really needed? + + h_init = []; % initial hidden state. used if use_init_h == 1 + use_init_h = 0; % variable indicating whether after each + % subsequence the initial state should be + % resumed + + collectH = 0; % specifies if the hidden states should be saved + Hcoll = []; % memory for saving hidden states + + % statistics for incremental learning + HTH = []; % statistic to store H' * H + HTY = []; % statistic to store H' * Y + + universRes = 1; % use Tino's 'Cycle Reservoir with Jumps' (CRJ) + % or a standard random reservoir + universResPars =... % params for the CRJ reservoir: the absolute + 0.1 * [1 1 1 50]; % magnitude of input weights, the circular and + % jump connection strengths r_c and r_j and the + % jump distance between neurons + + linearESN = 0; % use a linear ESN, i.e. no sigmoid functions + useReLU = 0; % use tanh or a ReLU activation function + psdRes = 0; % use a psd reservoir. good with RelUs? + + dt = 1; % factor for weighting the contribution of the new reservoir activation + inpScale = 1; % scaling for input weights + biasScale = 0; % scaling for bias + inpDensity = 1; % density of input weights matrix + resDensity = 0.2; % density of reservoir weights matrix + reg = 1e-6; % regularization parameter for ridge regression + specRad = 0.95; % spectral radius for the reservoir weights matrix + woSteps = 200; % washout steps applied to the beginning of each sequence + convergeSteps = 0; % if >0 the net is fed with the first data vector convergeSteps times before train/apply + %batchSize = 1000; % number of samples used for a minibatch + + end + + methods + function l = ESN(inpDim, outDim, spec) + l = l@Learner(inpDim, outDim, spec); + end + + function updateFromJSON(l, json) + fields = fieldnames(json.esn); + for f=1:numel(fields) + l.(fields{f}) = json.esn.(fields{f}); + end + end + + function init(l, X) + if l.universRes == 0 + % use a random reservoir + if l.inpDensity == 1 + l.wInp = l.inpScale * (2 * rand(l.hidDim,l.inpDim) - ones(l.hidDim,l.inpDim)); + else + l.wInp = createSparseMatrix(l.hidDim, l.inpDim, l.inpDensity, l.inpScale); + end + %l.wRes = 2 * rand(l.hidDim,l.hidDim) - ones(l.hidDim,l.hidDim); + if (l.resDensity > 0) + if ~l.psdRes + l.wRes = createSparseMatrix(l.hidDim, l.hidDim, l.resDensity, 1); + + else + useVariant = 3; + + if useVariant == 1 + % variant 1: compute a scalar product. + % It is not sparse + l.wRes = createSparseMatrix(l.hidDim, l.hidDim, l.resDensity, 1); + % use psd matrices with ReLU activations + l.wRes = l.wRes * l.wRes' + eye(l.hidDim); + elseif useVariant == 2 + % variant 2: use sprandsym. Quote from the doc: + % It has a great deal of topological and + % algebraic structure. + l.wRes = sprandsym(l.hidDim, l.resDensity, (1+rand(l.hidDim,1))/2); + elseif useVariant == 3 + % variant 3: set symmetric random values + % there are l.hidDim*(l.hidDim-1)/2 elements in the + % upper triangle of a matrix. + % set random values for off diagonal elements + randPos = randperm(round(l.hidDim*(l.hidDim-1)/2)); + nonZeroE = round(l.resDensity*l.hidDim*(l.hidDim-1)/2); + randVals1 = zeros(round(l.hidDim*(l.hidDim-1)/2),1); + randVals1(randPos(1:nonZeroE)) = randu(nonZeroE,1); + % set random values for off diagonal elements + randPos = randperm(l.hidDim); + nonZeroE = round(l.resDensity*l.hidDim); + randVals2 = zeros(l.hidDim,1); + randVals2(randPos(1:nonZeroE)) = randu(nonZeroE,1); + + l.wRes = sparse(squareform(randVals1) + diag(randVals2)); + l.wRes(1:l.hidDim+1:end) = l.wRes(1:l.hidDim+1:end) ... + - eigs(l.wRes, 1,'sa'); + end + end + + % old scaling + %sr = max(abs(eigs(l.wRes))); + %l.wRes = (l.specRad / sr) .* l.wRes; + + % use the effective spectral radius for leaky integrator + sr = max(abs(eigs(l.dt*l.wRes + (1-l.dt)*eye(l.hidDim)))); + l.wRes = ((l.specRad -(1-l.dt)) / (sr-(1-l.dt))) .* l.wRes; + else + l.wRes = zeros(l.hidDim); + end + else + % use Peter Tino's CRJ + % set the input weights + currPath = mfilename('fullpath'); + currPath = currPath(1:end-3); + piDecExpan = loadjson([currPath 'pi_8000.json']); + piDecExpan = piDecExpan.pi8000(1:l.hidDim*l.inpDim); + + tmpInp = (-1) * l.universResPars(1) * (piDecExpan < 4.5); + tmpInp = tmpInp + l.universResPars(1) * (piDecExpan > 4.5); + l.wInp = reshape(tmpInp, l.hidDim, l.inpDim); + clear tmpInp piDecExpan; + + % set the reservoir weights + l.wRes = spalloc(l.hidDim, l.hidDim, ... + l.hidDim + 2*floor(l.hidDim/l.universResPars(4))); + % set the circular connection weights + circ_idx = 2:l.hidDim+1:l.hidDim^2; + l.wRes(circ_idx) = l.universResPars(2); + l.wRes(1, l.hidDim) = l.universResPars(2); + % set the jump weights + nextToLast = (lower(l.hidDim/l.universResPars(4))-2)*l.universResPars(4) + 1; + jump_idx = (1:l.universResPars(4):nextToLast)'; + jump_idx = [jump_idx+l.universResPars(4) jump_idx]; + if mod(l.hidDim, l.universResPars(4)) == 0 + jump_idx(end+1, :) = [1 jump_idx(end,1)]; + else + jump_idx(end+1, :) = [jump_idx(end,1)+l.universResPars(4) jump_idx(end,1)]; + end + + jump_idx1 = (jump_idx(:,2)-1)*l.hidDim + jump_idx(:,1); + jump_idx2 = (jump_idx(:,1)-1)*l.hidDim + jump_idx(:,2); + l.wRes(jump_idx1) = l.universResPars(3); + l.wRes(jump_idx2) = l.universResPars(3); + clear circ_idx jump_idx jump_idx1 jump_idx2 nextToLast + end + + l.wOut = zeros(l.hidDim, l.outDim); + l.bias = l.biasScale * (2 * rand(l.hidDim,1) - ones(l.hidDim,1)); + l.h = zeros(l.hidDim,1); + l.h_old = zeros(l.hidDim,1); + l.a = zeros(size(l.h)); + %l.aNew = zeros(size(l.h)); + l.y = zeros(1,l.outDim); + + %not required + %if nargin > 1 + % l.normalizeIO(X); + %end + end + + function train(l, X, Y) + if iscell(X) + % check if the input normalization is already set + if isempty(l.inpOffset) + l.normalizeIO(cell2mat(X), cell2mat(Y)); + end + l.HTH = zeros(l.hidDim, l.hidDim); + l.HTY = zeros(l.hidDim, l.outDim); + numSequences = length(X); + for i=1:numSequences + X{i} = range2norm(X{i}, l.inpRange, l.inpOffset); + Y{i} = range2norm(Y{i}, l.outRange, l.outOffset); + + if l.convergeSteps > 0 + convergenceInput = repmat(X{i}(1,:), l.convergeSteps, 1); + l.calcHiddenStates(convergenceInput); + end + + if l.use_init_h + l.h = l.h_init; + end + H = l.calcHiddenStates(X{i}); + if l.woSteps > size(X{i},1) + warning(['washout longer than sequence ' num2str(i)]); + return; + end + H = H(l.woSteps+1:end,:); + l.HTH = l.HTH + H' * H; + l.HTY = l.HTY + H' * Y{i}(l.woSteps+1:end,:); + end + HTH = l.HTH + diag(repmat(l.reg, 1, l.hidDim)); + l.wOut = HTH\l.HTY; + else + % check if the input normalization is already set + if isempty(l.inpOffset) + [X, Y] = l.normalizeIO(X, Y); + else + if l.inpNormalization + X = range2norm(X, l.inpRange, l.inpOffset); + end + if l.outNormalization + Y = range2norm(Y, l.outRange, l.outOffset); + end + end + + if l.convergeSteps > 0 + convergenceInput = repmat(X(1,:), l.convergeSteps, 1); + l.calcHiddenStates(convergenceInput); + end + + if l.use_init_h + l.h = l.h_init; + end + numSamples = size(X,1); + H = l.calcHiddenStates(X); + + if l.woSteps > numSamples + warning('washout longer than sequence'); + return; + end + Y = Y(l.woSteps+1:end,:); + H = H(l.woSteps+1:end,:); + l.HTH = H' * H; + l.HTY = H' * Y; + l.wOut = (l.HTH + l.reg * eye(l.hidDim))\(l.HTY); + end + end + + % This function implements an online least squares method. + % Before the first run, a manual washout should be performed by + % executing + % l.calcHiddenStates(X); + % for woSteps number of samples. + % No forgetting rate is currently implemented. + function train_online(l, X, Y) + if isempty(l.HTH) || isempty(l.HTY) + % if no prior training has been performed (either batch or + % online): initialize statistics with zeros + l.HTH = zeros(l.hidDim, l.hidDim); + l.HTY = zeros(l.hidDim, l.outDim); + end + + if l.inpNormalization + X = range2norm(X, l.inpRange, l.inpOffset); + end + if l.outNormalization + Y = range2norm(Y, l.outRange, l.outOffset); + end + + + if l.convergeSteps > 0 + convergenceInput = repmat(X(1,:), l.convergeSteps, 1); + l.calcHiddenStates(convergenceInput); + end + + % update the statistics + H = l.calcHiddenStates(X); + l.HTH = l.HTH + H' * H; + l.HTY = l.HTY + H' * Y; + + % compute the new weights + l.wOut = (l.HTH + l.reg * eye(l.hidDim))\(l.HTY); + %l.wOut = l.HTH\(l.HTY); + end + + function [Y] = apply(l, X) + if iscell(X) + Y = cell(length(X),1); + for i=1:length(X) + Y{i} = l.apply(X{i}); + end + else + if (l.inpNormalization) + X = range2norm(X, l.inpRange, l.inpOffset); + end + %l.calcHiddenStates(repmat(X(1,:), l.woSteps, 1)); %washout transients + + if l.convergeSteps > 0 + convergenceInput = repmat(X(1,:), l.convergeSteps, 1); + l.calcHiddenStates(convergenceInput); + end + + if l.use_init_h + l.h = l.h_init; + end + H = l.calcHiddenStates(X); + if l.collectH + l.Hcoll = H; + end + + Y = H * l.wOut; + if (l.outNormalization) + Y = norm2range(Y, l.outRange, l.outOffset); + end + l.out = Y(end,:); + end + end + + % input to calcHiddenStates is always one sequence (steps x dim) + function [H] = calcHiddenStates(l, X) + numSamples = size(X,1); + H = zeros(numSamples, l.hidDim); + for k=1:numSamples + l.act(X(k,:)); + H(k,:) = l.h; + end + end + + function act(l, x) + l.a = l.wInp * x' + l.wRes * l.h + l.bias; + % Hx1 = HxI * (1xI)' + HxH * Hx1 + Hx1 + if l.linearESN + l.h = l.a; + else + % nonlinear activation function + if l.useReLU + l.h = l.a; + l.h(l.h<0) = 0; + else + l.h = tanh(l.a); + end + end + + if l.dt ~= 1 + l.h = (1-l.dt) * l.h_old + l.dt * l.h; + l.h_old = l.h; + end + end + + % If this method is used, the data normalization constants should + % be set in advance. Use + % l.normalizeIO(X, Y); + % for this purpose. + function set_initState(l, X) + if l.inpNormalization + X = range2norm(X, l.inpRange, l.inpOffset); + end + H = l.calcHiddenStates(X); + l.h_init = H(end,:)'; + end + + % new function performing a json export of a trained reservoir. + % str specifies the name of the output + % if mode == 1, the method will export only the output weights, + % if mode == 2, everything is exported + function export(l, str, mode) + if nargin < 3 + mode = 1; + end + + if mode == 1 + savejson('esn', l.wOut', str); + elseif mode == 2 + % select the properties to be stored + res.inpDim = l.inpDim; + res.hidDim = l.hidDim; + res.outDim = l.outDim; + + res.wInp = l.wInp; + res.inpOffset = l.inpOffset; + res.inpRange = l.inpRange; + + res.bias = l.bias; + res.dt = l.dt; + res.universRes = l.universRes; + res.wRes = l.wRes; + + res.outOffset = l.outOffset; + res.outRange = l.outRange; + + savejson('esn', res, str); + end + end + + function reset(l) + l.h = zeros(l.hidDim,1); + l.h_old = zeros(l.hidDim,1); + l.a = zeros(size(l.h)); + %l.aNew = zeros(size(l.h)); + l.y = zeros(1,l.outDim); + end + end + +end + diff --git a/navipy/forecasting/src/ESNs/Learner.m b/navipy/forecasting/src/ESNs/Learner.m new file mode 100644 index 0000000000000000000000000000000000000000..1f6c4cb10c1b53cb527f66119d1e3d4c8fd26031 --- /dev/null +++ b/navipy/forecasting/src/ESNs/Learner.m @@ -0,0 +1,84 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + +classdef Learner < handle + %LEARNER Interface class for function approximator models. + % Detailed explanation goes here + + properties + inpDim = 0; %dimension of input + outDim = 0; %dimension of output + out = []; + + inpNormalization = 1; % (de)activates normalization of the input + outNormalization = 1; % (de)activates normalization of the output + inpOffset = []; + inpRange = []; + outOffset = []; + outRange = []; + end + + methods + function l = Learner(inpDim, outDim, spec) + l.inpDim = inpDim; + l.outDim = outDim; + l.out = zeros(1,l.outDim); + + if nargin > 2 + for s=1:size(spec,1) + if ~strcmp(spec{s,1}, 'class') + try + l.(spec{s,1}) = spec{s,2}; + catch me + disp(me.message); + end + end + end + end + end + + function [X Y] = normalizeIO(l, X, Y) + % default values for already normalized data + l.inpOffset = zeros(1, l.inpDim); + l.outOffset = zeros(1, l.outDim); + l.inpRange = repmat([-1; 1], 1, l.inpDim); + l.outRange = repmat([-1; 1], 1, l.outDim); + + if l.inpNormalization && nargin > 1 + [X l.inpOffset l.inpRange] = normalize(X); + end + + if l.outNormalization && nargin > 2 + [Y l.outOffset l.outRange] = normalize(Y); + end + end + + function init(l, X, Y) + end + + % expect X and Y to be either matrices or cell-arrays of matrices + function train(l, X, Y) + end + + function Y = apply(l, X) + end + + function new = copy(this) + new = feval(class(this)); + p = properties(this); + for i = 1:length(p) + if( isa(this.(p{i}), 'handle')) + new.(p{i}) = this.(p{i}).copy(); + elseif isa(this.(p{i}),'cell') + new.(p{i}) = deepCopyCellArray(numel(this.(p{i}))); + else + new.(p{i}) = this.(p{i}); + end + end + end + end + +end + diff --git a/navipy/forecasting/src/ESNs/chud_pi.m b/navipy/forecasting/src/ESNs/chud_pi.m new file mode 100644 index 0000000000000000000000000000000000000000..b623a1daf35716d1832478b352ea2d3c06486974 --- /dev/null +++ b/navipy/forecasting/src/ESNs/chud_pi.m @@ -0,0 +1,19 @@ +function P = chud_pi(d) + % CHUD_PI Chudnovsky algorithm for pi. + % chud_pi(d) produces d decimal digits. + % + % From Mathworks: + % https://de.mathworks.com/company/newsletters/articles/computing-pi.html + + k = sym(0); + s = sym(0); + sig = sym(1); + n = ceil(d/14); + for j = 1:n + s = s + sig * prod(3*k+1:6*k)/prod(1:k)^3 * ... + (13591409+545140134*k) / 640320^(3*k+3/2); + k = k+1; + sig = -sig; + end + S = 1/(12*s); + P = vpa(S,d); \ No newline at end of file diff --git a/navipy/forecasting/src/ESNs/compute_write_pi.m b/navipy/forecasting/src/ESNs/compute_write_pi.m new file mode 100644 index 0000000000000000000000000000000000000000..c3954b76e32339e48b483b78add494440b48e3d1 --- /dev/null +++ b/navipy/forecasting/src/ESNs/compute_write_pi.m @@ -0,0 +1,20 @@ +% create pi to a certain precision and write it to a file + +% compute Pi for a reservoir of size 1000 with 8 inputs +num_digits = 8*1000; +p = chud_pi(num_digits); + +% convert the sym number to a string +piStr = char(p); +% represent each digit as an entry in a vector +piVec = zeros(numel(piStr)-1,1); +piVec(1) = 3; +for i = 3:numel(piStr) + piVec(i-1) = str2double(piStr(i)); +end + +% write it to a file +savejson('pi8000', piVec,'pi_8000.json'); + +% --- don't use the csv format for strings. they do not load +% csvwrite(sprintf('pi_%i.csv', num_digits), piStr); \ No newline at end of file diff --git a/navipy/forecasting/src/ESNs/createSparseMatrix.m b/navipy/forecasting/src/ESNs/createSparseMatrix.m new file mode 100644 index 0000000000000000000000000000000000000000..2f0cc5fa02cd8285dd822442f59e9e74ddde11ab --- /dev/null +++ b/navipy/forecasting/src/ESNs/createSparseMatrix.m @@ -0,0 +1,24 @@ +function [ M ] = createSparseMatrix(rows, cols, density, range) +%CREATESPARSEMATRIX Summary of this function goes here +% Detailed explanation goes here + +if density == 1.0 + M = randu(rows,cols,range); + return; +end + +nonzero = max(0, min(round(density * rows * cols), rows * cols)); + +M = zeros(rows, cols); +p = randperm(rows * cols); + +for i=1:nonzero + row = ceil(p(i)/cols); + col = mod(p(i), cols) + 1; + M(row, col) = randu(1,1,range); +end + +M = sparse(M); + +end + diff --git a/navipy/forecasting/src/ESNs/demo_addingProblem.m b/navipy/forecasting/src/ESNs/demo_addingProblem.m new file mode 100644 index 0000000000000000000000000000000000000000..c222a099c1e802ff7a7868f41deb60bea7b143f2 --- /dev/null +++ b/navipy/forecasting/src/ESNs/demo_addingProblem.m @@ -0,0 +1,62 @@ +% test ESN on the adding problem ... ESNs do not work well here +% generate the data +seqL = 40; +numS_tr = 10000; +numS_te = 1000; + +X = cell(numS_tr+numS_te,1); +Y = cell(numS_tr+numS_te,1); +for s = 1:(numS_tr+numS_te) + X{s} = rand(seqL,1); + X{s} = [X{s}, zeros(seqL,1)]; + % select two random entries + randIdx = randperm(seqL); + randIdx = randIdx(1:2); + X{s}(randIdx,2) = 1; + + Y{s} = repmat(sum(X{s}(randIdx,1)), seqL, 1); +end + +X_tr = X(1:numS_tr); +X_te = X(numS_tr+1:numS_tr+numS_te); +Y_tr = Y(1:numS_tr); +Y_te = Y(numS_tr+1:numS_tr+numS_te); + +%% apply the ESN model +resS = 200; +reg = 0.01; +woSteps = 1; % dont do washout since the inportant position can be anywhere +dimIn = 2; +dimOut = 1; +dtCons = 0.4; +specRad = 0.9; +univRes = 0; +linESN = 0; +useRelu = 0; +lspecs = {'class','ESN'; 'hidDim',resS; 'reg',reg; ... + 'woSteps',woSteps; 'inpDim',dimIn; 'outDim',dimOut; ... + 'dt', dtCons; 'specRad', specRad; 'universRes', univRes; ... + 'linearESN', linESN; 'useReLU',useRelu; 'use_init_h', 1}; %; ... + %'universResPars', [v,rc,rj,jumps]; }; + +esn = ESN(dimIn, dimOut, lspecs); +esn.init(); +% set the normalization constants +esn.normalizeIO(cell2mat(X_tr), cell2mat(Y_tr)); +esn.set_initState([rand(seqL,1) zeros(seqL,1)]); +esn.train(X_tr, Y_tr); + +preds_te = esn.apply(X_te); + +result_vals = zeros(numS_te,2); +for i=1:numel(X_te) + result_vals(i,:) = [preds_te{i}(end) Y_te{i}(end)]; +end + +constMSE = mean((result_vals(:,2) - 1).^2) +esnMSE = mean((result_vals(:,2) - result_vals(:,1)).^2) + + + + + diff --git a/navipy/forecasting/src/ESNs/demo_memoryCapacity.m b/navipy/forecasting/src/ESNs/demo_memoryCapacity.m new file mode 100644 index 0000000000000000000000000000000000000000..cfdf4272d5a06b347beddd5c665bf5332ed6bd20 --- /dev/null +++ b/navipy/forecasting/src/ESNs/demo_memoryCapacity.m @@ -0,0 +1,104 @@ +% demo memory capacity +% compute the memory capacity on a 1D signal as in +% Jaeger: Short term memory in echo state networks, 2002 + +%% generate the input +seqL_tr = 200; +seqL_te = 200; +seqL = seqL_tr + seqL_te; +nRep = 10; + +Xtmp = 2*rand(round(seqL/nRep), 1) -1; +% copy each value 10 times to reproduce jaergers scenario +X = zeros(seqL,1); +count = 0; +for i=1:nRep:seqL + count = count+1; + X(i:i+nRep-1) = repmat(Xtmp(count), nRep, 1); +end + +X_tr = X(1:seqL_tr); +X_te = X(seqL_tr+1:seqL_tr+seqL_te); + +%% generate the target, i.e. delay the input +K = 40; +Y = zeros(seqL,K); +for k=1:K + Y(1:k,k) = 2*rand(k, 1) -1; + Y(k+1:end,k) = X(1:end-k); +end + +Y_tr = Y(1:seqL_tr, :); +Y_te = Y(seqL_tr+1:seqL_tr+seqL_te, :); + + +%% apply the ESN model +resS = 20; +reg = 0.00000; +woSteps = 100; +dimIn = 1; +dimOut = K; +dtCons = 1; % no leaky rate as in jaegers paper +specRad = 0.90; +univRes = 0; +linESN = 0; +psdRes = 1; +useRelu = 0; +lspecs = {'class','ESN'; 'hidDim',resS; 'reg',reg; 'inpScale', 1; ... + 'woSteps',woSteps; 'inpDim',dimIn; 'outDim',dimOut; 'psdRes', psdRes; ... + 'dt', dtCons; 'specRad', specRad; 'universRes', univRes; ... + 'linearESN', linESN; 'useReLU',useRelu; 'use_init_h', 0}; %; ... + %'universResPars', [v,rc,rj,jumps]; }; + +esn = ESN(dimIn, dimOut, lspecs); +esn.init(); +esn.train(X_tr, Y_tr); + + +preds_te = esn.apply(X_te); +preds_te = preds_te(woSteps+1:end,:); +Y_teEval = Y_te(woSteps+1:end,:); + +preds_tr = esn.apply(X_tr); +preds_tr = preds_tr(woSteps+1:end,:); +Y_trEval = Y_tr(woSteps+1:end,:); + +corrSq_tr = zeros(K,1); +for k=1:K + corrSq_tr(k) = ... + mean((preds_tr(:,k) - mean(preds_tr(:,k))) .* (Y_trEval(:,k) - mean(Y_trEval(:,k))))/ ... + (std(preds_tr(:,k)) * std(Y_trEval(:,k))); + corrSq_tr(k) = corrSq_tr(k)^2; +end + +corrSq = zeros(K,1); +for k=1:K + corrSq(k) = ... + mean((preds_te(:,k) - mean(preds_te(:,k))) .* (Y_teEval(:,k) - mean(Y_teEval(:,k))))/ ... + (std(preds_te(:,k)) * std(Y_teEval(:,k))); + corrSq(k) = corrSq(k)^2; +end +MC = sum(corrSq); + +figure +%myFigure; +subplot(1,2,1); +plot(corrSq_tr); +title(['trainingm MC: ' num2str(sum(corrSq_tr))]); axis([0 K 0 1]); +subplot(1,2,2); plot(corrSq); +title(['testing, MC: ' num2str(MC)]); axis([0 K 0 1]); + +% % plot example predictions +% k = 7; +% myFigure; hold on; +% plot(1:size(Y_teEval,1), Y_teEval(:,k), 'b'); +% plot(1:size(preds_te,1), preds_te(:,k), 'g'); +% +% myFigure; hold on; +% plot(1:size(Y_trEval,1), Y_trEval(:,k), 'b'); +% plot(1:size(preds_tr,1), preds_tr(:,k), 'g'); + + + + + diff --git a/navipy/forecasting/src/ESNs/eval_contin_fun_pred.m b/navipy/forecasting/src/ESNs/eval_contin_fun_pred.m new file mode 100644 index 0000000000000000000000000000000000000000..2dd54bcdd1352cf2be071e74dae39552cac2372d --- /dev/null +++ b/navipy/forecasting/src/ESNs/eval_contin_fun_pred.m @@ -0,0 +1,124 @@ +function [acc,classwiseAcc] = eval_contin_fun_pred(targets, preds, woSteps, showResults, colors, col_dofs, model) +% This function receives a target signal and a prediction of a model. +% It excepts the targets to be scaled from -1 to 1, with a three class +% encoding consisting of classes -1, 0 and +1. The function removes all the +% values in between this + +if nargin < 4 + showResults = 0; +end +if nargin < 7 + model = ''; +end + +if ~iscell(targets) + targets = {targets}; + preds = {preds}; +end + +% compe an accuracy for each class in each Dof +dofs = size(targets{1},2); +% there are 3 classes per degree of freedom: -1,0,1 +classes = [-1 0 1]; + +numSeq = numel(targets); +accs = zeros(numSeq, dofs); +classwiseAccs = zeros(numel(classes), dofs, numSeq); +for seq = 1:numSeq + % remove the first woSteps instances + predsS = preds{seq}(woSteps:end,:); + targetsS = targets{seq}(woSteps:end,:); + % remove the intermediate segments + addr_vec = (abs(targetsS) <= 0.001) + (abs(targetsS) >= 0.99); + addr_vec = logical(min(addr_vec, [], 2)); + preds_cut = round(predsS(addr_vec, :)); + targets_cut = round(targetsS(addr_vec, :)); + + % compute the overall accuracy + accs(seq,:) = sum(preds_cut == targets_cut)/size(preds_cut,1); + + for dof = 1:dofs + for cl = 1:numel(classes) + curr_class_idx = classes(cl) == targets_cut(:, dof); + curr_pred = preds_cut(curr_class_idx, dof); + % compute the accuracy of class cl in degree of freedom dof + classwiseAccs(cl, dof, seq) = sum(curr_pred == classes(cl))/sum(curr_class_idx); + end + end +end +acc = sum(accs,1)/numSeq; +classwiseAcc = sum(classwiseAccs,3)/numSeq; + + +% print the accuracy? +if showResults > 0 + if dofs == 1 + disp(['=========' model '=Performance=========']); + fprintf(' DoF1 \n'); + fprintf(' overall acc: %6.2f%% \n', 100*acc(1)); + disp(' -------------------------------'); + fprintf(' cl ''-1'' acc: %6.2f%% \n', 100*classwiseAcc(1,1)); + fprintf(' cl ''0'' acc: %6.2f%% \n', 100*classwiseAcc(2,1)); + fprintf(' cl ''+1'' acc: %6.2f%% \n', 100*classwiseAcc(3,1)); + disp('================================='); + elseif dofs == 2 + disp(['=========' model '=Performance=========']); + fprintf(' DoF1 DoF2\n'); + fprintf(' overall acc: %6.2f%% %6.2f%%\n', 100*acc(1), 100*acc(2)); + disp(' -------------------------------'); + fprintf(' cl ''-1'' acc: %6.2f%% %6.2f%%\n', 100*classwiseAcc(1,1), 100*classwiseAcc(1,2)); + fprintf(' cl ''0'' acc: %6.2f%% %6.2f%%\n', 100*classwiseAcc(2,1), 100*classwiseAcc(2,2)); + fprintf(' cl ''+1'' acc: %6.2f%% %6.2f%%\n', 100*classwiseAcc(3,1), 100*classwiseAcc(3,2)); + disp('================================='); + elseif dofs == 3 + fprintf('The accuracy amounts to %5.2f%% %5.2f%% %5.2f%% \n', ... + 100*acc(1), 100*acc(2), 100*acc(3)); + % TODO: add the detailed accuracies + end +end + +% do visualizations? +if showResults > 1 + myFigure; hold on; + nSamples = size(targets_cut,1); + hTar = zeros(dofs,1); + hPred = zeros(dofs,1); + if showResults == 2 + prettyShift = [0.005 -0.005]; + elseif showResults == 3 + prettyShift = [0 0]; + end + + % plot the target curve and the predictions + for dof=1:dofs + if showResults == 3 + subplot(dofs,1,dof); hold on; + end + + hTar(dof) = plot(1:nSamples, targets_cut(:, dof)+prettyShift(dof), '-', 'Color', squeeze(colors(col_dofs(dof), 1, :))); + hPred(dof) = plot(1:nSamples, preds_cut(:, dof), 'o', 'Color', squeeze(colors(col_dofs(dof), 3, :))); + + currAx = axis; + axis([0 currAx(2) -1.1 1.1]) + end + + % add a legend and the accuracy + if showResults == 2 + % use a brief accuracy description + legend([hTar; hPred], {'DoF1 gt', 'DoF2 gt', 'DoF1 pred', 'DoF2 pred'}); + title(sprintf('%s Accuracy: DoF1: %5.2f%%, DoF2: %5.2f%%', model, 100*acc(1), 100*acc(2))); + elseif showResults == 3 + % provide a detailed accuracy description + for dof=1:dofs + subplot(dofs,1,dof); + currDof = sprintf('DoF%i', dof); + legend([hTar(dof); hPred(dof)], {[currDof ' gt'], [currDof ' pred']}); + + title(sprintf('%s accs in DoF%i: %2.0f%%, %2.0f%%, %2.0f%%', ... + model, dof, 100*classwiseAcc(1,dof), ... + 100*classwiseAcc(2,dof), 100*classwiseAcc(3,dof))); + end + + end + +end \ No newline at end of file diff --git a/navipy/forecasting/src/ESNs/msl_example.m b/navipy/forecasting/src/ESNs/msl_example.m new file mode 100644 index 0000000000000000000000000000000000000000..8ef6959347a7bf55d5a3d9a43fd6d8b0a35f0fb1 --- /dev/null +++ b/navipy/forecasting/src/ESNs/msl_example.m @@ -0,0 +1,85 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +%Example for learning in the model space +%The goal is to differentiate between two noisy sine waves + +length = 10000; +sample_length = 100; +noise_std = 0.1; +n_samples = 2*length/sample_length +N = 30; + +rng(42); +t=[0:length]'; +sin1=sin(0.2*t)+noise_std*randn(length+1,1); +sin2=sin(0.311*t)+noise_std*randn(length+1,1); + +X_mat = zeros(n_samples,sample_length); +X = cell(n_samples,1); +Y = cell(n_samples,1); +ind = 1; +for i=1:sample_length:length + X{ind} = sin1(i:i+sample_length-1); + X_mat(ind,:) = X{ind}; + Y{ind} = sin1(i+1:i+sample_length); + ind = ind + 1; + X{ind} = sin2(i:i+sample_length-1); + X_mat(ind,:) = X{ind}; + Y{ind} = sin2(i+1:i+sample_length); + ind = ind + 1; +end +sine1_ind = 1:2:n_samples; +sine2_ind = 2:2:n_samples; + + +% figure +% plot(X{1}) +% figure; +% plot(Y{1}) + +lspecs = {'class','ESN'; 'hidDim',N; 'reg',1; 'woSteps',5; 'inpDim',1; 'outDim',1}; +%% create learner +rng(42); +learner = ESN(1, 1, lspecs); +%cmd = ['learner = ' lspecs{1,2} '(inpDim, outDim, lspecs);']; +%eval(cmd); +learner.init(X(1:2)); + +%% create models +models = zeros(n_samples,N); +for i=1:n_samples + learner.h = zeros(N,1); + learner.train(X(i), Y(i)); + models(i,:) = reshape(learner.wOut, 1, numel(learner.wOut)); +end + +figure('position', [300, 150, 1000, 800]) +subplot(2,2,1:2) +plot(sin1(1:500), 'b'); +hold on; +plot(sin2(1:500), 'g'); +title('Signals'); +legend('sin(0.2)', 'sin(0.311)'); + +subplot(2,2,3) +[eigvalues eigvectors repr mX]= pca(X_mat, 2); +hold on; +plot(repr(sine1_ind,1), repr(sine1_ind,2), 'bo') +plot(repr(sine2_ind,1), repr(sine2_ind,2), 'go') +legend('sin(0.2)', 'sin(0.311)'); +title('Signal Space') +xlabel('pc1'); ylabel('pc2'); + +subplot(2,2,4) +[eigvalues eigvectors repr mX]= pca(models, 2); +plot(repr(sine1_ind,1), repr(sine1_ind,2), 'bo') +hold on; +plot(repr(sine2_ind,1), repr(sine2_ind,2), 'go') +legend('sin(0.2)', 'sin(0.311)'); +title('Model Space') +xlabel('pc1'); ylabel('pc2'); +hold off; diff --git a/navipy/forecasting/src/ESNs/norm2range.m b/navipy/forecasting/src/ESNs/norm2range.m new file mode 100644 index 0000000000000000000000000000000000000000..d96f6373e7084704942e3c783dff1639f8361daa --- /dev/null +++ b/navipy/forecasting/src/ESNs/norm2range.m @@ -0,0 +1,35 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +function [y] = norm2range(x, ra, offset, minmax) +%NORM2RANGE y = norm2range(x, ra, minmax) +% ra is a dim x 2 matrix holding min and max values per dimension +% minmax is repmat([-1 1], dim, 1) by default + +if nargin < 3 + offset = zeros(1, size(x,2)); +end + +if nargin < 4 + minmax = repmat([-1 1]', 1, size(x,2)); +end + +%cut exceeding dimensions +ra = ra(:,1:min(size(ra,2), size(x,2))); +x = x(:,1:min(size(ra,2), size(x,2))); + +tmp = minmax(2,:) - minmax(1,:); +tmp(tmp==0) = 1; +scale = 1./(tmp); +range = (ra(2,:) - ra(1,:)); + +%y = zeros(size(x)); +%for i=1:size(x,1) +% y(i,:) = (scale .* (x(i,:) - minmax(1,:))) .* range + ra(1,:); +% y(i,:) = y(i,:) + offset; +%end + +y = repmat(scale .* range, size(x,1), 1) .* (x - repmat(minmax(1,:), size(x,1), 1)) + repmat(ra(1,:) + offset, size(x,1), 1); diff --git a/navipy/forecasting/src/ESNs/normalize.m b/navipy/forecasting/src/ESNs/normalize.m new file mode 100644 index 0000000000000000000000000000000000000000..5d4dcaf39ead0a58b66757739212ee3f9d45ed50 --- /dev/null +++ b/navipy/forecasting/src/ESNs/normalize.m @@ -0,0 +1,18 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +function [data offset range] = normalize(data) +%NORMALIZE Summary of this function goes here +% Detailed explanation goes here + +offset = mean(data, 1); +%data = data - repmat(offset, size(data,1), 1); +data = bsxfun(@minus, data, offset); + +range = [min(data, [], 1); max(data, [], 1)]; +data = range2norm(data, range); + +end diff --git a/navipy/forecasting/src/ESNs/pca.m b/navipy/forecasting/src/ESNs/pca.m new file mode 100644 index 0000000000000000000000000000000000000000..419bda689c01852d250a8e293fc051787f13f78a --- /dev/null +++ b/navipy/forecasting/src/ESNs/pca.m @@ -0,0 +1,33 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +function [eigvalues eigvectors coeffs mX] = pca(X, dim) +%PCA Summary of this function goes here +% [eigvalues eigvectors coeffs mX] = pca(X, dim) + +numSamples = size(X,1); + +%remove mean +mX = mean(X,1); +X = X - repmat(mX, numSamples, 1); + +%calc covariance matrix +C = X'*X; + +%calc eigenvectors and values +[v, e] = eig(C); + +%sort eigenvalues and vectors +% [eigvalues, indices] = sort(diag(e), 'descend'); +% eigvectors = v(:,indices); +eigvalues = flipdim(diag(e),1); % eig returns everything in ascending order +eigvectors = flipdim(v,2); + +%conduct transformation into pca-space using dim components +coeffs = X * eigvectors(:,1:dim); + +end + diff --git a/navipy/forecasting/src/ESNs/pi_8000.json b/navipy/forecasting/src/ESNs/pi_8000.json new file mode 100644 index 0000000000000000000000000000000000000000..d2e6f12d311c0ed6613b9a10aeff928588fe8746 --- /dev/null +++ b/navipy/forecasting/src/ESNs/pi_8000.json @@ -0,0 +1,8004 @@ +{ + "pi8000": [ + [3], + [1], + [4], + [1], + [5], + [9], + [2], + [6], + [5], + [3], + [5], + [8], + [9], + [7], + [9], + [3], + [2], + [3], + [8], + [4], + [6], + [2], + [6], + [4], + [3], + [3], + [8], + [3], + [2], + [7], + [9], + [5], + [0], + [2], + [8], + [8], + [4], + [1], + [9], + [7], + [1], + [6], + [9], + [3], + [9], + [9], + [3], + [7], + [5], + [1], + [0], + [5], + [8], + [2], + [0], + [9], + [7], + [4], + [9], + [4], + [4], + [5], + [9], + [2], + [3], + [0], + [7], + [8], + [1], + [6], + [4], + [0], + [6], + [2], + [8], + [6], + [2], + [0], + [8], + [9], + [9], + [8], + [6], + [2], + [8], + [0], + [3], + [4], + [8], + [2], + [5], + [3], + [4], + [2], + [1], + [1], + [7], + [0], + [6], + [7], + [9], + [8], + [2], + [1], + [4], + [8], + [0], + [8], + [6], + [5], + [1], + [3], + [2], + [8], + [2], + [3], + [0], + 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[9], + [1], + [4], + [9], + [0], + [5], + [5], + [6], + [2], + [8], + [4], + [2], + [5], + [0], + [3], + [9], + [1], + [3] + ] +} diff --git a/navipy/forecasting/src/ESNs/randu.m b/navipy/forecasting/src/ESNs/randu.m new file mode 100644 index 0000000000000000000000000000000000000000..b494499895b9f10b05fc3749487fd633170b8413 --- /dev/null +++ b/navipy/forecasting/src/ESNs/randu.m @@ -0,0 +1,18 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +function [ R ] = randu(rows, cols, range) +%RANDU Summary of this function goes here +% Detailed explanation goes here + +if nargin < 3 + range = 1; +end + +R = range * 2.0 * (rand(rows, cols) - 0.5); + +end + diff --git a/navipy/forecasting/src/ESNs/range2norm.m b/navipy/forecasting/src/ESNs/range2norm.m new file mode 100644 index 0000000000000000000000000000000000000000..168908d6b16c619660f7243b94f52cf8845c7f60 --- /dev/null +++ b/navipy/forecasting/src/ESNs/range2norm.m @@ -0,0 +1,37 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%% Copyright (c) 2013 R. F. Reinhart, CoR-Lab %%% +%%% Bielefeld University, Germany, http://cor-lab.de %%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + + +function [y] = range2norm(x, ra, offset, minmax) +%RANGE2NORM y = range2norm(x, ra, minmax) +% ra is a dim x 2 matrix holding min and max values per dimension +% minmax is repmat([-1 1], dim, 1) by default + +if nargin < 3 + offset = zeros(1, size(x,2)); +end + +if nargin < 4 + minmax = repmat([-1 1]', 1, size(x,2)); +end + +%cut exceeding dimensions +ra = ra(:,1:min(size(ra,2), size(x,2))); +x = x(:,1:min(size(ra,2), size(x,2))); + +tmp = ra(2,:) - ra(1,:); +tmp(tmp==0) = 1; +scale = 1 ./ (tmp); + +%y = zeros(size(x)); +%for i=1:size(x,1) + %y(i,:) = x(i,:) - offset; + %%y(i,:) = 2 * (((y(i,:) - ra(1,:)) .* scale) - 0.5); + %y(i,:) = ((minmax(2,:) - minmax(1,:)) .* ((y(i,:) - ra(1,:)) .* scale)) + minmax(1,:); +%end + +y = repmat(minmax(2,:) - minmax(1,:), size(x,1), 1) .* (x - repmat(offset, size(x,1), 1) - repmat(ra(1,:), size(x,1), 1)) .* repmat(scale, size(x,1), 1) + repmat(minmax(1,:), size(x,1), 1); + +%y = bsxfun(@plus, bsxfun(@times, bsxfun(@times, minmax(2,:) - minmax(1,:), bsxfun(@minus, x, offset-ra(1,:))), scale), minmax(1,:)); diff --git a/navipy/forecasting/src/ESNs/raw.json b/navipy/forecasting/src/ESNs/raw.json new file mode 100644 index 0000000000000000000000000000000000000000..cde01cefd1fc7f6497688d6b6e6168c4a2286403 --- /dev/null +++ b/navipy/forecasting/src/ESNs/raw.json @@ -0,0 +1,1004 @@ +{ + "raw": [ + [0.6675255606,0.4335105612,0.4530937042,0.7517335869,0.8036162693,0.7554009555,0.8591274931,0.7330609113], + [0.6213475916,0.7669851458,0.8400577404,1.303517896,1.544369158,1.510866374,1.30063414,1.246418467], + [1.084723501,1.053437089,1.072648373,1.406871407,1.455313074,1.485179537,1.461928248,1.561047426], + [0.9320144176,0.8422990524,0.9023250495,1.30835312,1.573236948,1.278878852,1.581632849,1.407851445], + 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1e-05, + "specRad": 0.9, + "woSteps": 20, + "convergeSteps": 0, + "inpDim": 8, + "outDim": 1, + "out": 0, + "inpNormalization": 0, + "outNormalization": 0, + "inpOffset": null, + "inpRange": null, + "outOffset": null, + "outRange": null + } +} diff --git a/navipy/forecasting/src/ESNs/toy_example.m b/navipy/forecasting/src/ESNs/toy_example.m new file mode 100644 index 0000000000000000000000000000000000000000..8b7a5b4a384fc6fdd6aa9abd090900c18ff00d15 --- /dev/null +++ b/navipy/forecasting/src/ESNs/toy_example.m @@ -0,0 +1,78 @@ +%% Some initial settings +clear all; close all; clc; +%% generate the data + +nSamples = 1000; +nChan = 8; +nOuts = 3; +X = zeros(nSamples , nChan); +Y = zeros(nSamples , nOuts); + +for n = 1:nOuts + freq = 0.02*pi; + Y(:, n) = sin(freq * (1:nSamples) + (2*n)/(3*freq)); + Y(Y(:,n) < 0, n) = 0; +end + +for n = 1:nChan + freq = 0.5 + randn*0.01; + + if n <=3 + ampl = Y(:,1) + 1; + elseif n <=6 + ampl = Y(:,2) + 1; + else + ampl = Y(:,3) + 1; + end + + X(:,n) = ampl.*sin(freq * (1:nSamples)') + randn(nSamples, 1) * 0.1; +end + +figure; hold on; +plot(1:nSamples, X(:,1), 'b'); +plot(1:nSamples, Y(:,1), 'g'); +hold off; + +%% initialize an ESN +woSteps = 20; +N = 300; + +lspecs = {'class','ESN'; 'hidDim',N; 'reg',1e-7; 'woSteps',woSteps; 'inpDim',8; 'outDim',3; 'dt', 0.25; 'specRad', 0.9; 'universRes', 0; 'linearESN', 0; 'useReLU', 0; 'psdRes', 0}; +esn = ESN(8, 3, lspecs); +esn.init(); + +esn.train(X, Y); + +%% apply the ESN + +esn.reset(); +Y_esn = esn.apply(X); + +%% Compare with linear regression + +W = (X' * X + 1E-16 * eye(nChan)) \ X' * Y; + +Y_lr = X * W; + +%% plot the results + +addpath ../plotting/; + +colors = tango_color_scheme(); + +figure; +hold on; +for dof=1:3 + plot(1:nSamples, Y(:, dof), '-', 'Color', squeeze(colors(dof, 1, :))); + plot(1:nSamples, Y_esn(:, dof), '-', 'Color', squeeze(colors(dof, 3, :))); + plot(1:nSamples, Y_lr(:, dof), '--', 'Color', squeeze(colors(dof, 3, :))); +end +hold off; + +%% export results to JSON + +addpath ../jsonlab/; + +savejson('raw', X, 'raw.json'); +esn.export('reservoir.json', 2); +esn.export('out.json', 1); diff --git a/navipy/forecasting/src/Python/acf_pacf_lag_finder_script.py b/navipy/forecasting/src/Python/acf_pacf_lag_finder_script.py new file mode 100644 index 0000000000000000000000000000000000000000..c26872205c1a6db96bae8dc248720c24a85bf19c --- /dev/null +++ b/navipy/forecasting/src/Python/acf_pacf_lag_finder_script.py @@ -0,0 +1,76 @@ +from pandas import Series +from matplotlib import pyplot +from statsmodels.graphics.tsaplots import plot_acf +from statsmodels.graphics.tsaplots import plot_pacf +from statsmodels.tsa.stattools import acf +from statsmodels.tsa.stattools import pacf +import pdb + +def difference(dataset, interval=1): + diff = list() + for i in range(interval, len(dataset)): + value = dataset[i] - dataset[i - interval] + diff.append(value) + return Series(diff) + + +def find_lag(singe_dim_acf_val, corresponding_conf_val): + t = 0; + is_in_interv = False; + while (is_in_interv is False and t<len(singe_dim_acf_val)): + if(t<len(singe_dim_acf_val)): + upper_margin = corresponding_conf_val[t, 1] - singe_dim_acf_val[t] + lower_margin = corresponding_conf_val[t, 0] - singe_dim_acf_val[t] + if (singe_dim_acf_val[t] < upper_margin): + is_in_interv = True + if (singe_dim_acf_val[t] < 0 and singe_dim_acf_val[t] > lower_margin): + is_in_interv = True + else: + t=-1 + t = t+1 + + return (t-1) + +lag_values = [] +trial = 1 +#for trial in range(0,len(tr)): +traj = tr[trial] +traj_lags = [] +series = [] +for dim in traj.keys(): + h = [] + series = traj[dim] + series = difference(series) + ac_val, conf_ac_val = acf(series,nlags=40, alpha=0.05) + pac_val, conf_pac_val = pacf(series,nlags=40, alpha=0.05) + ac_lags = find_lag(ac_val,conf_ac_val) + pac_lags = find_lag(pac_val,conf_pac_val) + h.append(ac_lags) + h.append(pac_lags) + traj_lags.append(h) + print('Done with dim:'+ dim) +print('Done with trial:'+ str(trial)) +lag_values.append(traj_lags) + +plot_acf(series) +pyplot.show(block=False) +pdb.set_trace() +plot_pacf(series) +pyplot.show(block=False) + + + +''' +pyplot.figure() +pyplot.plot(ac_val,'*') +pyplot.figure() +pyplot.plot(conf_ac_val, '*') +pyplot.figure() +pyplot.plot(conf_ac_val[:, 0] - ac_val, '*') +pyplot.figure() +pyplot.plot(confs[:, 1] - ac_val, '*') + +plot_acf(series) +pyplot.show(block=False) + +''' diff --git a/navipy/forecasting/src/Python/analysis_script.py b/navipy/forecasting/src/Python/analysis_script.py new file mode 100644 index 0000000000000000000000000000000000000000..e6835dcd4000078ab23a0bf8f09b774cba6e3895 --- /dev/null +++ b/navipy/forecasting/src/Python/analysis_script.py @@ -0,0 +1,134 @@ +import cozybank as cbank +from matplotlib import pyplot as plt +import pdb +import pandas as pd +import os +import glob +import datetime +from pick import pick + +'''Specify Script options''' +SINGLE = 0 +MULTIPLE = 1 +CHECK_STAB = 0 + +FIT_ARIMA = 1 +SAVE_PICKLES = 1 +WITH_TRUE_PR_STEP = 1 +NUM_OF_PREDS = 100 +DROP_SPEED = 1 +folders = glob.glob('data_mat\\charlotts\\*') + +#Specify ARIMA Parameters +LAG = 2#Autoregressive Part +DIFF = 1 #Integrated Part +ORDER = 0 #Moving Average Part + + + +#load data +if SINGLE ==1: + title = 'Choose data set to summon!' + options = folders + foldername, index = pick(options,title) + train, test, esn_res, ids_res, spcs, foldernm = cbank.summon_data(foldername) + + if DROP_SPEED == 1: + for i in range(0,len(train)): + if spcs['target_type'][0][1] =='1': + b = train[i].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + b = train[i].drop(['df_Cos','df_Sin'], axis=1) + train[i] = b + del b + + if spcs['target_type'][0][5] =='1': + b = test[i].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + b = test[i].drop(['df_Cos','df_Sin'], axis=1) + test[i] = b + del b + PR_STEP = spcs['pr_step'][0] + #Get Results from ARIMA model + if FIT_ARIMA == 1: + #arima just casts 1-step ahead + result = cbank.execute(train,test,LAG,DIFF,ORDER, PR_STEP,NUM_OF_PREDS) + print('I am here') + + #Name of the files saved as results from arima + PICKLE_SAVE_NAME = 'L'+str(LAG)+'_D'+str(DIFF)+'_O'+str(ORDER)+'_ForecastWidth'+str(PR_STEP) + PICKLE_PATH_NAME = foldernm+'\\pickles\\'+PICKLE_SAVE_NAME+'\\' + + if SAVE_PICKLES == 1: + if not os.path.exists(PICKLE_PATH_NAME): + os.makedirs(PICKLE_PATH_NAME) + for i in range(0,len(result)): + d = result[i] + nm = PICKLE_PATH_NAME+'pckl_' + '{0:03}'.format(i) + d.to_pickle(nm) + +################################################################################################### +################################################################################################### +elif MULTIPLE ==1: + #mass summoning + #for fn in range(int(len(folders)/2),len(folders)): + #for fn in range(0,int(len(folders)/2)): + + for fn in range(0,len(folders)): + arima_res = [] + folder = folders[fn] + print(folder) + #pdb.set_trace() + tr, te, esn_r, ids_r, spc, fldernm = cbank.summon_data(folder) + + if DROP_SPEED == 1: + for i in range(0,len(tr)): + if spc['target_type'][0][1] =='1': + b = tr[i].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = tr[i].drop(['df_Cos','df_Sin'], axis=1) + else: + b = tr[i].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + tr[i] = b + del b + + if spc['target_type'][0][5] =='1': + b = te[i].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = te[i].drop(['df_Cos','df_Sin'], axis=1) + else: + b = te[i].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + + te[i] = b + del b + + #How far to cast into the future + PR_STEP = spc['pr_step'][0] + + if FIT_ARIMA == 1: + #arima just casts 1-step ahead + arima_res = cbank.execute(tr,te,LAG,DIFF,ORDER, PR_STEP,NUM_OF_PREDS) + + + PICKLE_SAVE_NAME = 'L'+str(LAG)+'_D'+str(DIFF)+'_O'+str(ORDER)+'_ForecastWidth'+str(PR_STEP) + PICKLE_PATH_NAME = fldernm+'\\pickles\\'+PICKLE_SAVE_NAME+'\\' + + if SAVE_PICKLES == 1: + if not os.path.exists(PICKLE_PATH_NAME): + os.makedirs(PICKLE_PATH_NAME) + for j in range(0,len(arima_res)): + + d = arima_res[j] + nm = PICKLE_PATH_NAME+'pckl_' + '{0:03}'.format(j) + d.to_pickle(nm) + + print('Dataset: '+str(fn)+'/'+str(len(folders))) +if CHECK_STAB == 1: + stab_mat_train = cbank.check_stability(train,0.1) + stab_mat_test = cbank.check_stability(test,0.1) + + + + diff --git a/navipy/forecasting/src/Python/cozybank.py b/navipy/forecasting/src/Python/cozybank.py new file mode 100644 index 0000000000000000000000000000000000000000..86fc98b9014c6afe01c9468081df56b9cda06cbf --- /dev/null +++ b/navipy/forecasting/src/Python/cozybank.py @@ -0,0 +1,241 @@ +from statsmodels.tsa.arima_model import ARIMA +from matplotlib import pyplot +import scipy.io as spio +import pandas as pd +from pandas.plotting import autocorrelation_plot +#from pandas import datetime +#from pandas import DataFrame +import pdb as pdb +import inv_stat +from sklearn.metrics import mean_squared_error +import pyflux as pf +import math +import time +import os +from pick import pick +from fastdtw import fastdtw as dtw +import glob + +def summon_data(foldername): + + pos_needed = 0 + ori_needed = 0 + + ''' gather data information ''' + set_splitting, source, data_id, pr_step, with_spd = __extract_information__(foldername) + + #Get what spatial info is needed + if len(data_id) == 7: + if data_id[1] == '1' or data_id[5] == '1': + pos_needed = 1 + if data_id[2] == '1' or data_id[6] == '1': + ori_needed = 1 + + # convert to numbers + pr_step=int(pr_step) + with_spd = int(with_spd) + + ''' gather experimental information ''' + specs = __load_specification__(foldername) + + ''' gather data''' + train = __load_data__(foldername,source, 'train',pos_needed,ori_needed, with_spd) + test = __load_data__(foldername,source, 'test',pos_needed,ori_needed, with_spd) + + ''' gather results''' + esn_res = __load_results__(foldername,'esn', source, pos_needed,ori_needed, with_spd) + ids_res = __load_results__(foldername, 'ids', source, pos_needed,ori_needed, with_spd) + + return train, test, esn_res, ids_res, specs, foldername + +def execute (train, test, lag,diff,order,forcasting_horizon,global_num_of_predictions): + res = [] + for tr in range(0,len(train)): + + dim_prediction_df = pd.DataFrame() + + local_num_of_predictions = global_num_of_predictions + fitting_data = train[tr] + if local_num_of_predictions>len(test[tr]): + local_num_of_predictions = len(test[tr]) + + future_data = test[tr].head(local_num_of_predictions) + for dim in range(0,len(fitting_data.columns)): + dim_key = fitting_data.keys()[dim] + ser = fitting_data[dim_key] + ser_future = future_data[dim_key] + history = [x for x in ser] + predictions = list() + for t in range(0,local_num_of_predictions): + try: + model = ARIMA(history, order=(lag,diff,order)) + model_fit = model.fit(disp=0) + output = model_fit.forecast(forcasting_horizon) + yhat = output[0][-1] + predictions.append(yhat) + obs = ser_future.iloc[t] + history.append(obs) + except: + print ('Entered except at t='+t+' dim='+dim+' trial='+tr) + predictions = pd.DataFrame({dim_key:predictions}) + dim_prediction_df = pd.concat([dim_prediction_df, predictions],axis=1) + + + res.append(dim_prediction_df) + return res + + +def check_stability(data, sig_level): + + stat_mat = inv_stat.check_stationary(data, sig_level) + print(stat_mat) + return stat_mat + +def do_autocorrelation(series): + pyplot.figure() + autocorrelation_plot(series) + + +def calc_cost(A,B, norm): + dst = dtw(A,B) + dst = dst[0] + if (norm == 1) and len(B) != 0: + dst = dst/len(B) + return dst + +def __load_specification__(foldername): + + filename = glob.glob(foldername+'\\*taskspcs*') + + data = spio.loadmat(filename[0]) + tsk_spc = data['task_specs'] + i1 = {'min_l': tsk_spc[0][0][0][0][0]} + i2 = {'learn_type': tsk_spc[0][0][1][0]} + i3 = {'target_type': tsk_spc[0][0][2][0]} + i4 = {'pr_step': tsk_spc[0][0][4][0][0]} + i5 = {'tr_l' : tsk_spc[0][0][5][0][0]} + i6 = {'te_l' : tsk_spc[0][0][5][0][1]} + i7 = {'with_spd': tsk_spc[0][0][9][0][0]} + i8 = {'is_charlotts': tsk_spc[0][0][8][0][0]} + + tsk_spc = dict(i1, **i2,**i3,**i4,**i5,**i6, **i7, **i8) + tsk_spc = pd.DataFrame(tsk_spc, index = [0]) + + return tsk_spc + +def __load_data__(foldername,source, purpose,pos_needed,ori_needed, with_spd): + + trial_df = pd.DataFrame() + dataframe = [] + filename = glob.glob(foldername+'\\*'+purpose+'*') + data = spio.loadmat(filename[0]) + if purpose == 'train': + data = data['tr_TA'] + elif purpose == 'test': + data = data['te_IN'] + + for t in range(0,len(data)): + + trial = data[t][0] + + if pos_needed == 1 and with_spd ==0: + trial = __transform2dict__(trial,'pos') + elif pos_needed == 1 and with_spd ==1: + trial = __transform2dict__(trial,'pos+spd') + trial_df = pd.DataFrame(trial) + + if ori_needed == 1 and with_spd == 0: + if source == 'Char': + trial = __transform2dict__(trial,'ori_char') + else: + trial = __transform2dict__(trial,'ori_anne') + elif ori_needed == 1 and with_spd == 1: + if source == 'Char': + trial = __transform2dict__(trial,'ori_char+spd') + else: + trial = __transform2dict__(trial,'ori_anne+spd') + trial_df = pd.DataFrame(trial) + dataframe.append(trial_df) + + return dataframe + +def __load_results__(foldername,model, source, p,o, with_spd): + + filename = glob.glob(foldername+'\\*'+model+'*'+'*res*') + data = spio.loadmat(filename[0]) + dataframe = [] + if model == 'esn': + data = data['pred'] + elif model == 'ids': + data = data['bench_results'] + + for t in range(0,len(data)): + trial = data[t][0] + if p == 1 and with_spd ==0: + trial = __transform2dict__(trial,'pos') + elif p == 1 and with_spd ==1: + trial = __transform2dict__(trial,'pos+spd') + elif o == 1 and source == 'Char' and with_spd ==0: + trial = __transform2dict__(trial,'ori_char') + elif o == 1 and source == 'Char' and with_spd ==1: + trial = __transform2dict__(trial,'ori_char+spd') + elif o == 1 and source == 'Anne' and with_spd ==0: + trial = __transform2dict__(trial,'ori_anne') + elif o == 1 and source == 'Anne' and with_spd ==1: + trial = __transform2dict__(trial,'ori_anne+spd') + + trial_df = pd.DataFrame(trial) + dataframe.append(trial_df) + + return dataframe + +def __transform2dict__ (trial,mode): + + + if mode == 'pos': + trial_dict = {'xPos':trial[:,0], 'yPos':trial[:,1], 'zPos':trial[:,2]} + elif mode == 'pos+spd': + trial_dict = {'xPos':trial[:,0], 'xPos_spd':trial[:,1], 'yPos':trial[:,2],'yPos_spd':trial[:,3], + 'zPos':trial[:,4], 'zPos_spd':trial[:,5]} + elif mode == 'ori_char': + trial_dict = {'yaw_sin':trial[:,0],'yaw_cos':trial[:,1], 'pitch_sin':trial[:,2], 'pitch_cos':trial[:,3], 'roll_sin':trial[:,4], 'roll_cos':trial[:,5]} + elif mode == 'ori_char+spd': + trial_dict = {'yaw_sin':trial[:,0],'df_yaw_sin':trial[:,1],'yaw_cos':trial[:,2],'df_yaw_cos':trial[:,3], + 'pitch_sin':trial[:,4],'df_pitch_sin':trial[:,5], 'pitch_cos':trial[:,6],'df_pitch_cos':trial[:,7], + 'roll_sin':trial[:,8],'df_roll_sin':trial[:,9], 'roll_cos':trial[:,10], 'df_roll_cos':trial[:,11]} + elif mode == 'ori_anne': + trial_dict = {'Sin':trial[:,0], 'Cos':trial[:,1]} + elif mode == 'ori_anne+spd': + trial_dict = {'Sin':trial[:,0], 'df_Sin':trial[:,1], 'Cos':trial[:,2], 'df_Cos':trial[:,3]} + + return trial_dict + +def __extract_information__ (foldername): + + # cut path + k = foldername.find('\\') + fn = foldername[k+1:] + while fn.find('\\') !=-1: + fn = fn[k+1:] + # discard name modification if there is one + if fn[0] != 'i': + k = fn.find('_') + fn = fn[k+1:] + # TODO create a name file for refferencing files (MatLab) + # read information from filename + k = fn.find('_') + set_splitting = fn[:k] + fn = fn[k+1:] + k = fn.find('_') + source = fn[:k] + fn = fn[k+1:] + k = fn.find('_') + data_id = fn[:k] + fn = fn[k+1:] + k = fn.find('_') + pr_step = fn[6:k] + fn = fn[k+1:] + k = fn.find('_') + with_spd = fn[len(fn)-1] + + return set_splitting, source, data_id, pr_step, with_spd \ No newline at end of file diff --git a/navipy/forecasting/src/Python/evaluation_script.py b/navipy/forecasting/src/Python/evaluation_script.py new file mode 100644 index 0000000000000000000000000000000000000000..e6179a89ca2c3636ecf82f7f90e7110b080969bc --- /dev/null +++ b/navipy/forecasting/src/Python/evaluation_script.py @@ -0,0 +1,347 @@ +import cozybank as cbank +from matplotlib import pyplot as plt +import pdb +import pandas as pd +import os +import glob +import datetime +from pick import pick +import statistics +import numpy as np + +LOAD_PICKLES = 0 +SINGLE = 0 +MULTIPLE = 1-SINGLE +CREATE_SCORE_PLOT = 0 +folders = glob.glob('data_mat/*b102b10*') + +#Single set summoning +if SINGLE ==1: + title = 'Choose data set to summon!' + options = folders + foldername, index = pick(options,title) + tr, te, esn_r, ids_r, spc, fldrnm = cbank.summon_data(foldername) + ari_res = {} + if os.path.exists(fldrnm+'\\pickles'): + pckl_folders = os.listdir(fldrnm+'\\pickles') + for p in range(0,len(pckl_folders)): + folder = pckl_folders[p] + folder_path = fldrnm+'\\pickles\\'+folder+'\\*' + PICKLE_LOAD_NAME = 'pckl_' + pckls = glob.glob(folder_path) + pres = [] + for f in range(0,len(pckls)): + pres.append(pd.read_pickle(pckls[f])) + ari_res[folder[0:8]] = pres + else: + print('No pickle dir found.') + + + for t in range(0,len(tr)): + #Drop dim + + if int(spc['with_spd']) == 1: + if spc['target_type'][0][1] =='1': + b = tr[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + c = esn_r[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + d = ids_r[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = tr[t].drop(['df_Cos','df_Sin'], axis=1) + c = esn_r[t].drop(['df_Cos','df_Sin'], axis=1) + d = ids_r[t].drop(['df_Cos','df_Sin'], axis=1) + else: + b = tr[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + c = esn_r[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + d = ids_r[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + + tr[t]=b + esn_r[t]=c + ids_r[t] =d + del b + del c + del d + + if spc['target_type'][0][5] =='1': + b = te[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = te[t].drop(['df_Cos','df_Sin'], axis=1) + else: + b = te[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + te[t] = b + del b + + cost_esn = {} + cost_ids = {} + cost_esn_mean = {} + cost_ids_mean = {} + arima_costs = {} + + for mokey in ari_res.keys(): + arima_costs[mokey] = {} + for dim_key in te[0].keys(): + arima_costs[mokey][dim_key] = [] + + + for dim_key in te[0].keys(): + cost_esn[dim_key] = [] + cost_ids[dim_key] = [] + + for t in range(0,len(tr)): + #For each dimension and each arima model calculate the score for this trial + try: + for dim_key in te[t].keys(): + te_mlab = te[t].shift(-int(spc['pr_step'][0])) + te_mlab = te_mlab[np.isfinite(te_mlab[dim_key])] + te_mlab = te_mlab[dim_key] + if len(te_mlab) != 0: + for mokey in ari_res.keys(): + model_pr =ari_res[mokey][t][dim_key] + model_pr = model_pr.dropna(axis=0) + if len(te_mlab) >= len(model_pr): + te_mlab = te_mlab[0:len(model_pr)] + else: + model_pr = model_pr[0:len(te_mlab)] + if (len(model_pr) > 0): + arima_costs[mokey][dim_key].append(cbank.calc_cost(model_pr,te_mlab,1)) + else: + arima_costs[mokey][dim_key].append(np.NaN) + print(mokey) + + + cost_esn[dim_key].append(cbank.calc_cost(esn_r[t][dim_key][0:len(model_pr)],te_mlab,1)) + cost_ids[dim_key].append(cbank.calc_cost(ids_r[t][dim_key][0:len(model_pr)],te_mlab,1)) + except: + pdb.set_trace() + +elif MULTIPLE ==1: + #mass summoning + + #Extract strcuture data to create variables + folder = folders[0] + tr,_,_,_,spc,fldrnm = cbank.summon_data(folder) + + arima_costs_final = {} + esn_costs_final = {} + ids_costs_final = {} + + if os.path.exists(fldrnm+'\\pickles'): + pckl_folders = os.listdir(fldrnm+'\\pickles') + + if int(spc['with_spd']) == 1: + if spc['target_type'][0][1] =='1': + b = tr[0].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = tr[0].drop(['df_Cos','df_Sin'], axis=1) + else: + b = tr[0].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + + tr[0]=b + del b + + for momo in pckl_folders: + momo = momo[0:8] + arima_costs_final[momo] = {} + for dd in tr[0].keys(): + arima_costs_final[momo][dd] = [] + esn_costs_final[dd] = [] + ids_costs_final[dd] = [] + + + #For all set_ups + for d_set in range(0,len(folders)): + #Load all data and esn and ids results + folder = folders[d_set] + tr, te, esn_r, ids_r, spc, fldrnm = cbank.summon_data(folder) + + #Load pickles from all arima models + ari_res = {} + if os.path.exists(fldrnm+'\\pickles'): + pckl_folders = os.listdir(fldrnm+'\\pickles') + for p in range(0,len(pckl_folders)): + folder = pckl_folders[p] + folder_path = fldrnm+'\\pickles\\'+folder+'\\*' + PICKLE_LOAD_NAME = 'pckl_' + pckls = glob.glob(folder_path) + pres = [] + for f in range(0,len(pckls)): + pres.append(pd.read_pickle(pckls[f])) + ari_res[folder[0:8]] = pres + + else: + print('No pickle dir found.') + + + + + + #For each trial calculate dtw + for t in range(0,len(tr)): + #Drop dim + if int(spc['with_spd']) == 1: + if spc['target_type'][0][1] =='1': + b = tr[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + c = esn_r[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + d = ids_r[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = tr[t].drop(['df_Cos','df_Sin'], axis=1) + c = esn_r[t].drop(['df_Cos','df_Sin'], axis=1) + d = ids_r[t].drop(['df_Cos','df_Sin'], axis=1) + else: + b = tr[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + c = esn_r[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + d = ids_r[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + + + tr[t]=b + esn_r[t]=c + ids_r[t] =d + del b + del c + del d + + if spc['target_type'][0][5] =='1': + b = te[t].drop(['xPos_spd','yPos_spd','zPos_spd'], axis=1) + else: + if spc['is_charlotts'][0] == 0: + b = te[t].drop(['df_Cos','df_Sin'], axis=1) + else: + b = te[t].drop(['df_yaw_cos','df_yaw_sin','df_pitch_cos','df_pitch_sin', 'df_roll_cos','df_roll_sin'], axis=1) + te[t] = b + del b + + cost_esn = {} + cost_ids = {} + cost_esn_mean = {} + cost_ids_mean = {} + arima_costs = {} + + for mokey in ari_res.keys(): + arima_costs[mokey] = {} + for dim_key in te[0].keys(): + arima_costs[mokey][dim_key] = [] + + + for dim_key in te[0].keys(): + cost_esn[dim_key] = [] + cost_ids[dim_key] = [] + + for t in range(0,len(tr)): + #For each dimension and each arima model calculate the score for this trial + try: + for dim_key in te[t].keys(): + te_mlab = te[t].shift(-int(spc['pr_step'][0])) + te_mlab = te_mlab[np.isfinite(te_mlab[dim_key])] + te_mlab = te_mlab[dim_key] + if len(te_mlab) != 0: + for mokey in ari_res.keys(): + model_pr =ari_res[mokey][t][dim_key] + model_pr = model_pr.dropna(axis=0) + if len(te_mlab) >= len(model_pr): + te_mlab = te_mlab[0:len(model_pr)] + else: + model_pr = model_pr[0:len(te_mlab)] + if (len(model_pr) > 0): + arima_costs[mokey][dim_key].append(cbank.calc_cost(model_pr,te_mlab,1)) + else: + arima_costs[mokey][dim_key].append(np.NaN) + print(mokey) + cost_esn[dim_key].append(cbank.calc_cost(esn_r[t][dim_key][0:len(model_pr)],te_mlab,1)) + cost_ids[dim_key].append(cbank.calc_cost(ids_r[t][dim_key][0:len(model_pr)],te_mlab,1)) + except: + pdb.set_trace() + #After all trials are through, call the mean score for this set up + + for mokey in arima_costs.keys(): + for dim_key in arima_costs[mokey].keys(): + if len(te_mlab) != 0: + arima_costs_final[mokey][dim_key].append(statistics.mean(arima_costs[mokey][dim_key])) + else: + arima_costs_final[mokey][dim_key].append(np.NaN) + + for dim_key in cost_esn.keys(): + if len(te_mlab) != 0: + esn_costs_final[dim_key].append(statistics.mean(cost_esn[dim_key])) + ids_costs_final[dim_key].append(statistics.mean(cost_ids[dim_key])) + else: + esn_costs_final[dim_key].append(np.NaN) + ids_costs_final[dim_key].append(np.NaN) + + #new_row = pd.DataFrame(cost_esn_mean[dim_key],cost_ids_mean]) + + print('Set prepared! Remaining: '+str(len(folders)-1-d_set)) + ''' + pdb.set_trace() + + cost_arimas = cozybank(arima_model_1,test) + + ''' + + + + +########################################################################## +#####################Plot Stuff########################################### +########################################################################## + + + + + print('''train,test,esn_res,ids_res all have the structure: + int-datasetupnr][int-trialnr][str-featuredim][int-singlepoint] + + arima_res has the structure: + [int-datasetupnr][str-arimamodelname][int_trialnr] + [str-featuredim][int-nthobservation][int-predictionintofuture] + ''' + ) + + + + + ''' + esn_df = pd.DataFrame(esn_costs_final) + ids_df = pd.DataFrame(ids_costs_final) + arima_110 = pd.DataFrame(arima_costs_final['L1_D1_O0']) + arima_120 = pd.DataFrame(arima_costs_final['L1_D2_O0']) + arima_220 = pd.DataFrame(arima_costs_final['L2_D2_O0']) + arima_320 = pd.DataFrame(arima_costs_final['L3_D2_O0']) + + for dim in esn_df.keys(): + plt.figure() + plt_arima_110, = plt.plot(arima_110[dim], color='#ACA6FF', label= 'ARIMA_110') + plt_arima_120, = plt.plot(arima_120[dim], color='#737DFF', label= 'ARIMA_120') + plt_arima_220, = plt.plot(arima_220[dim], color='#3A2CFF', label= 'ARIMA_220') + plt_arima_320, = plt.plot(arima_320[dim], color='#1100FF', label= 'ARIMA_320') + plt_esn, = plt.plot(esn_df[dim], 'r', label= 'ESN') + plt_ids, = plt.plot(ids_df[dim], 'g', label= 'IDS') + plt.legend(handles=[plt_arima_110,plt_arima_120,plt_arima_220, + plt_arima_320,plt_esn,plt_ids]) + plt.show(block=False) + ''' + + +if LOAD_PICKLES == 1: + ari_res ={} + if os.path.exists(foldernm+'\\pickles'): + pckl_folders = os.listdir(foldernm+'\\pickles') + for p in range(0,len(pckl_folders)): + folder = pckl_folders[p] + folder_path = foldernm+'\\pickles\\'+folder+'\\*' + PICKLE_LOAD_NAME = 'pckl_' + pckls = glob.glob(folder_path) + pres = [] + for f in range(0,len(pckls)): + pres.append(pd.read_pickle(pckls[f])) + ari_res[folder[0:8]] = pres + else: + print('No pickle dir found.') + +print('''Results have the following structure: +ari_res[str-arimamodelname][int-trialnr][str-featuredim]\n[int-timeofobservation][int-predictionintofuture]''') + + + \ No newline at end of file diff --git a/navipy/forecasting/src/Python/inv_stat.py b/navipy/forecasting/src/Python/inv_stat.py new file mode 100644 index 0000000000000000000000000000000000000000..f7db1f8063d8fb58b3afcd8638cabab7ee903f92 --- /dev/null +++ b/navipy/forecasting/src/Python/inv_stat.py @@ -0,0 +1,39 @@ +from statsmodels.tsa.stattools import adfuller as df_test +import pdb + +def check_stationary (data, sig_level): + """ + This function investigates if given data is stationary or not. + INPUT: + + data = pandas dataframe with N-trials, each having r_i rows and p-columns + + sig_level = p-value that must be surpased in order to be considered stationary. + + OUPUT: + + stat_mat = [[s_1,s_2,...s_m],[s_1,s_2,...s_m],...k] + where s_i is 0 of the feature can not be considered stationary, or 1 otherwise. + """ + stat_mat = [] + n_trials = len(data) + print(n_trials) + for trial in range(0,n_trials): + trial_stat = [] + this_trial = data[trial] + num_of_col = int(this_trial.size/len(this_trial)) + + for dim in range(0,len(data[0].columns)): + dim_key = this_trial.keys()[dim] + feat_is_stat = 1 + this_series = this_trial[dim_key] + df_res = df_test(this_series) + if df_res[1] > sig_level: + print('Trial number: ' + str(trial) + ' is not stationary in feature: ' + dim_key) + feat_is_stat = 0 + else: + print('Trial number: ' + str(trial) + ' is stationary in feature: ' + dim_key) + trial_stat.append(feat_is_stat) + + stat_mat.append(trial_stat) + return stat_mat \ No newline at end of file diff --git a/navipy/forecasting/src/Python/misc_script.py b/navipy/forecasting/src/Python/misc_script.py new file mode 100644 index 0000000000000000000000000000000000000000..b8edd2855178aaabb7acfa05e68c4043bb1a8e09 --- /dev/null +++ b/navipy/forecasting/src/Python/misc_script.py @@ -0,0 +1,34 @@ +import seaborn as sns +from matplotlib import pyplot as plt + +TRIAL = 39 + +trialplt = plt.figure() +a = df_te[TRIAL]['xPos'] +b = df_te[TRIAL]['xPos_TA'] +c = df_pred[TRIAL]['xPos_Pred'] +d = df_pred_bch[TRIAL]['xPos_Pred_BCH'] + +observed, = plt.plot(a,'--b', label='Observed') +future, = plt.plot(b,'b', label='Corresponding Future Value') +prediction, = plt.plot(c,'--g', label='Corresponding ESN Prediction') +benchmark, = plt.plot(d,'--r', label='Corresponding BENCH Prediction') +plt.legend(handles=[observed,future, prediction, benchmark]) + +sns.set_style('whitegrid') + +plt.show(block=False) + +########################## + +scoresplt = plt.figure() + +sc_esn = ESNscores['Sin'] +sc_bch = BCHscores['Sin'] +sc_esn_plt, = plt.plot(sc_esn,'--g', label='ESN') +sc_bch_plt, = plt.plot(sc_bch,'--r', label='BCH') +plt.legend(handles=[sc_esn_plt,sc_bch_plt]) + +sns.set_style('whitegrid') + +plt.show(block=False) diff --git a/navipy/forecasting/src/Python/reworked/Showcase.ipynb b/navipy/forecasting/src/Python/reworked/Showcase.ipynb new file mode 100644 index 0000000000000000000000000000000000000000..75fcdd7c6b379dd21c737cf35a24433e98b0600b --- /dev/null +++ b/navipy/forecasting/src/Python/reworked/Showcase.ipynb @@ -0,0 +1,12316 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Showcase For Predictorbox" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "metadata": {}, + "outputs": [], + "source": [ + "from test_predictor_box import GeneralProvider\n", + "from predictor_box import Investigator\n", + "from predictor_box import Modelmaker\n", + "import pandas\n", + "import matplotlib.pyplot as plt" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Generate Artificial Data" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": {}, + "outputs": [], + "source": [ + "TOTAL_NUM_TRIALS = 40\n", + "\n", + "gp = GeneralProvider()\n", + "data_stationary = []\n", + "data_not_stationary = []\n", + "data_ar1 = []\n", + "data_ar3 = []\n", + "for t in range(0, TOTAL_NUM_TRIALS):\n", + " data_stationary.append(gp._generate_random_data_(is_stationary=True))\n", + " data_not_stationary.append(gp._generate_random_data_(is_stationary=False))\n", + " data_ar1.append(gp._generate_ar1_data_())\n", + " data_ar3.append(gp._generate_ar3_data_())\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Example" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[ position r-xyz \n", + " x y z alpha_0 alpha_1 alpha_2\n", + " 0 0.713394 0.558804 0.952301 0.621651 0.303503 0.950869\n", + " 1 0.693921 0.341748 0.688553 0.273584 0.194699 0.489226\n", + " 2 0.485258 0.749679 0.239443 0.578324 0.192139 0.811631\n", + " 3 0.527538 0.812442 0.936462 0.823429 0.187038 0.085112\n", + " 4 0.980802 0.751555 0.204525 0.913367 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In particular it provides the following features:\n", + "\n", + "* Check if series is stationary (non changing mean/ no trend)\n", + "* Find significant lags (minimum lag that still shows correlation, when series is shifted against itself)\n", + "* plot auto correlation function (ACF) and partial ACF (PACF)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "### Initialize" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Help on class Investigator in module predictor_box:\n", + "\n", + "class Investigator(builtins.object)\n", + " | This class provides methods for time series analysis like\n", + " | ACF and PACF, as well as stability checks. Invoking an instance of this\n", + " | class requires the data which is wished to be investigated. The expected\n", + " | data structure is equal to the one used in navipy, which is given by \n", + " | \n", + " | pd.MultiIndex.from_tuples([('position', 'x'),\n", + " | ('position', 'y'),\n", + " | ('position', 'z'),\n", + " | ('r-xyz', 'alpha_0'),\n", + " | ('r-xyz', 'alpha_1'),\n", + " | ('r-xyz', 'alpha_2')])\n", + " | \n", + " | You can provide a single MultiIndex or a list of MultiIndex.\n", + " | \n", + " | Methods defined here:\n", + " | \n", + " | __init__(self, data)\n", + " | Initialize self. See help(type(self)) for accurate signature.\n", + " | \n", + " | check_stationary(self, trial_id=-1, sig_level=None, print_res=False, diff_order=0)\n", + " | Checks selected data for stationarity.\n", + " | \n", + " | This function checks selected data for stationarity in a time-series\n", + " | context with a dickey-fuller test. It returns a pandas dataframe of\n", + " | booleans, where each row is one trial and each column one feature dim-\n", + " | emnsion.\n", + " | \n", + " | Keyword arguments:\n", + " | trial_id -- int or [int] containing the id of the trials to be investi\n", + " | gated. If trial_id = -1, all trials are checked.\n", + " | Default = -1\n", + " | sig_level -- float level of significance.\n", + " | Default = 0.05\n", + " | print_res -- boolean value, if true, results are printed.\n", + " | Default = False\n", + " | diff_order -- int in [0,3]. Number of times the time-series is\n", + " | differenced befor it is checked for stability.\n", + " | Default = 0\n", + " | \n", + " | Returns:\n", + " | stationarity_df -- pandas dataframe of booleans.\n", + " | \n", + " | get_significant_lags(self, trial_id=-1, function_type='acf', n_lags=40, sig_level=0.05, diff_order=0)\n", + " | This function analysis the data for the number of significant\n", + " | legs with respect to either autocorrelation fucntion (acf) or\n", + " | partial acf (pacf). It returns the last significant lag.\n", + " | \n", + " | plot_cf_function(self, function_type='acf', trial_id=0, dim=('position', 'x'))\n", + " | Plots results of either ACF or PACF for a single dimension.\n", + " | \n", + " | This function plots the results of an auto-correlation-function (ACF)\n", + " | or partial ACF (PACF), depending on the selected funtion_type, for a \n", + " | single dimension. \n", + " | It is basically acting as a tunnel-implementation of plot_acf/_pacf\n", + " | of the statsmodels.graphics.tsaplots module. \n", + " | \n", + " | Keyword arguments:\n", + " | trial_id -- int or [int] containing the id of the trials to be investi\n", + " | gated. If trial_id = -1, all trials are checked.\n", + " | Default = -1\n", + " | dim -- tuple of features like ('position','x'). This column in data\n", + " | is used as a time series and plotted \n", + " | \n", + " | Returns:\n", + " | figs -- list of pyplot figures [fig].\n", + " | \n", + " | ----------------------------------------------------------------------\n", + " | Data descriptors defined here:\n", + " | \n", + " | __dict__\n", + " | dictionary for instance variables (if defined)\n", + " | \n", + " | __weakref__\n", + " | list of weak references to the object (if defined)\n", + "\n" + ] + } + ], + "source": [ + "help(Investigator)" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "metadata": { + "scrolled": true + }, + "outputs": [], + "source": [ + "# with stationary data set\n", + "Inv_stat = Investigator(data_stationary)\n", + "# with non-stationary data set\n", + "Inv_not_stat = Investigator(data_not_stationary)\n", + "# with data from an AR1 process \n", + "Inv_ar1 = Investigator(data_ar1)\n", + "# with data from an AR3 process\n", + "Inv_ar3 = Investigator(data_ar3)" + ] + }, + { + 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alpha_0 alpha_1 alpha_2\n", + "0 2 2 2 2 2 2\n", + "1 2 2 2 2 2 2\n", + "2 2 2 2 2 2 2\n", + "3 2 2 2 2 2 2\n", + "4 2 2 2 2 2 2" + ] + }, + "execution_count": 13, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "sig_lags.head(5)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "__Plotting ACF and PACF__" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[<Figure size 432x288 with 1 Axes>]" + ] + }, + "execution_count": 14, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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\n", + "text/plain": [ + "<Figure size 432x288 with 1 Axes>" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "Inv_ar3.plot_cf_function(trial_id=0, dim=('position', 'y'), function_type='acf')" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "c:\\users\\stefan(local)\\appdata\\local\\programs\\python\\python36\\lib\\site-packages\\statsmodels\\regression\\linear_model.py:1283: RuntimeWarning: invalid value encountered in sqrt\n", + " return rho, np.sqrt(sigmasq)\n" + ] + }, + { + "data": { + "text/plain": [ + "[<Figure size 432x288 with 1 Axes>]" + ] + }, + "execution_count": 15, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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Wlg5On1vHikWz9HvHIiVMQVBiJvtGNJV2rlq7kc1N7XQnUlTHoyxtrOeONecWu2kiMgQFQQk51kZ0soTBhu2tbG5qpyuRAqArkWJzUzsbtrcWuWWFM9nDWmQgBUEJOdZGdOXi2UVu3fBsaemgO2h/VncixfMtHUVqUWGVQ1iLDKSDxSWkHDaip8+tozoe7VdWHY+yZG5dkVpUWLlh7ZTnHo+Ej4KghJTDRnTFolksbazHUgnwNJWxCDNr46TdcYb+xJxKO+u37ufb63ewfut+UmmfwFYPXzmEdSFNlvUmx6ahoRKS3Yg++sJePBKjprKCpY31rFg0q9hNG7ZoxLhjzbksf98aDiy4ACpm0nywm0/8dDPpxR9g9tZ7Bs0zmYZbsmHdlRMGky2sC2UyrTc5Nu0RlJDsRrRhx6+ob/4T31l11qR8U0UjhgHpilp6k+mjQyi9U+bQXX/yoPqTabhl4B5PTbDxm0xhXSiTab3JsSkISkw0YtS076J+z2OsXDx7VCFQCrvridrZeKT/DqdHYiRqB28wJ9NwS7mEdSFMpvUmx6ahoTJTKrvr8c79WDqJR+NHyyydJN45+NPiZBtuyYZ1TfuuCT+bq5ROXS2V9VZKy2SyUhCUmVI5BbW6fTeVR/bSO2XO0eMd6ba9VLfvHlS3HI6NTIRSCfmsUlhvpbZMRqpUQkxBUGaOtbueGwSptPPw1v38+tm9AFx65hwueNPrQ1HZF2j7vPOId2aGl4bzAs3Od2jecqbu3cRUjL7aBr5x06f4X//zaxiDh6mywy3nvW8NidpZfOOmT5Xkp7rcN21X/Sl5Q61Qj59vo1CMkD9Wm0phvY11mUzUhjjf86TSzuXffYSdbUdIppzqeJS3zJ/GR88/ma17D09oMCgIyky+3fV4LMKbTpx69H4q7fz32x5j4+4DZA8frHu6heWnzDx6KYir1m7kiZcP0jv/beBJrlq78bifsrKfzp565SDd898K7kSS3czY9RBpdw7NWz5kqGSHW6rbd5NOO9ffvRl3p3FmDbFIhDfPmzaqN8VI3+hD1R/4yZOF76HyyN5hB+Rw2nl0mSczp93+xUnT+y3zfCHflUjxq6dbePvCBv5zR1tBN2jD+bQ9cJgse3xqS0sHi0+cCsaoN2rHWhfZ8l1tR4b1wSffYy4+cSo/+q+XRrQ3MdzXU269RbOmcPP6Hbw4YIN/sKuPbfsOH52nK5Fi4+4DPPlKO4lkekL3bsy9OOf9mtlFwC1AFLjN3b86VN1ly5b5pk2bRvwc2ZXx7J5DpNMOBum08/Jrnew/1MPB7j66E2nm1lfyFyfNYE97NxEzLj1zDuef2sD3/rCD329tZVpVjDMbp7HhhTYOdvZxzsnTuWjJHP7tz6/Q3t3HijedgKfh/qf30t2Xor46SncSehJ9xCLQ3pUiBcyaEufM+dN4bs8hDnUncRwzoyJqVFVEwaE3leLgoSNYKsHZp72Bjp4kXb0pquOGu3GgM0FfKk28IsobT6hl6RvqeXjbfvYc7CFqRm1lhFePJEln16tlXkAG1NfEmFFTQVcizd6O3rzLbEZNBb19KTr70oOmVUYgFosQj0WYXh2jq8/p7E1SWxmlNh5l/+EER3r7vynJbYc7pFNUxSuIRsCBVCqzDKoroxxsa4Gq6RCtGHKd1sYjxIJTHHr7MhvhKVVRepNOXzJz9oqZHW3jnvZeelOvv8ZrK4wTp1XT3p2kMgpzplVzuDeJu5N2aDrYTSKob8CJU+PUVEV5+bVukgMXSTpFdWUF8+qreGPDFJ5tbudgZ4K+dKZvUyujTK+poO1IH32pFFWxCH1ppy/lVFXEOG12LbOnVrHr1U5SaWdnW+eg/aXKCMyYWkldVZxTZ9fyh21t/UJ+KNn17WmnKh4lkXQqIk5PMs2R3jSxCNRXV9CbchJ9SdJEiEWN0xpqiUQj7DnQRUciSWfv4NfBlHiUE6dVUl8dp6M3ya5du4h1vcbKC1bwxxde5fDA10C2L1FonFFDdyJNbVWU0xqmkiLNM02H6O5LM6O2gmlVFbR09HC4u49EKrOsssskHjVWnHYCj+4+wOGe4y+DqEHDlDjzplfT0ZPkSHcfr3X1HV2/Q5kSjzK7Lo5ZhM6ePrqTSXoSTiwawQyO9KaOtqkqZpw+t46OniSdPUncHNxo7+6jO897aDROmzWF69+9iAuXjPzkETN7wt2XHbdeMYLAzKLAC8C7gGbgcWCVuz+fr/5ogiCVdj70/x7lsd0Hx9rciTdgIz7qxxjL/MVQiH5PpGIt41JbTqXQnlJowzhbfsoM7vzY8hGFwXCDoFinj54D7HT3Xe6eAH4KXF7IJ/j9ln2TMwQg82Ie6wt6Mr4hCtHviVSstpbaciqF9pRCG8bZxl0HeHjb/nF57GIdI5gHNOXcbwaGvE7xrrZOPviDR0f0BDqXWUTKiQM3/PxZbvvPwp6kAMXbI8gX3f3GqMzsGjPbZGab+vr6RvwESV3zRERkWIq1R9AMNObcnw+05FZw91uBWyFzjOBnf3feiJ7g67/bxncffnGMzRQRKR1ffd+bedfpJw67/t1/P7x6xdojeBxYaGYnm1kcuBJYV8gn+PgFp1E79MknMhm5v35QsNjtKOT8pdCniVQq63GSWTR7CheM0/dFirJH4O5JM/tH4EEyp4/+0N23FPI54rEIT33hYr7+u63c+egrdPaliZAZkzLAIhCPRqiJR+joTtKbfj0Vsyd9RYGKGCST4AaVUSMWNboSadIOMQtOgQxOHqmKRZhSFaMv5aTTaSKRCJGI8ZcL6plbX8Mvn9xDZ28fNfEY1fEoNfEoDhzs7MPdqaqIEjGjOh7BgdcO99LRk8q0J3jzRKMRFsysIe1pWg720OdQHYuwcPYU2g4n6O5LMaOmAiJGd2+K6ngEzOjqSdLVl6K9OzloWc2eUkFnIk1fKkV1RRSLGIYxszZOfW0c3Nm273C/0+YiBjUVEWZNraS7L83hnuTR02CzfcAybaipjDKtuoL2rgQHgr5Wx2NMqYwytTrG4a4kRxJJjNf73nSge/BpfgMOBsajNuj0wjdMr8YNDhxJ0Jfyo6eRtnT05j+dL2e5Tq2MEolEAKeuKkrr4T56kmlqKqK89Y0zONCV4MXWTg529gCRzItogIhBfXWMcxfM4Jk9HYPWR01llBeb95OOVUMkOmiDOLUyxuI5daxefhLP7mtn3ZMt7OvoZWDLayqMqEWYUh1jztQ4uw9009mboiYeYWZNnNYjfRzpTQ46HXVGTQXnnFTPn3Yf5HBP5rVgQHUMZk+rpvlgNxGD6TVxIma4AWmnJ5WmJ5GmJ7iIYK5plUYybfQm08QiRnVljJlBnzvznbI5YD1WRqCuOsZrnclB/RxKfVUEswiJZBozIxbh6Pvt3FNm8JUrzuQHf9zJL59o5tXglN6BTps1hUUnTiGZTrPxxQMcyPPeAKiIwBlz69h3qIf27iTRCMyaWklXIkXr4UTeNhuZ90dtZZTuPgechQ21mMG2fUdIpNJURIx4RZS+ZAqLRKiMRljQUMOJU6v4445Xj77fohFjYUMt6657+7h9n6Bo3yMYidF+j6AcJJJpLv/uI2xtaQeLUFMZG/WXTMbydfzsdzKeb+lgyQR84zH3+V5sO8J9m1v6bYAM+OSFCzlj3rRhtWlg+7NfwLr+SzcT72zl0V+sHXZ/3rHinXTXn8xV193Y77GGu2zeseKdtM87j64F59OXs4GsiUf5zqqzBn0RajTL/njrejwe81jzbdjeytpHdvPoi68NWo+fftdpXLdy4dF6z+05FHxRL8KSOSP/0tdo2t3vy5B9aaKRTBh++Yo3H/P8/XxtPmPe2N8fhXq/lfT3CEYqzEGwfut+rrvrqX5fIhpqgzEcE71BL4RCL4NcK1asAGDDhg3jOs/A+dvnncehxvOH3CgWwnis67E85mjXYyH6MZzHmIzvjeMZbhDoEhMlbrjXDhquaMRYuXj2pPkNZHj94mYDP9FN5ovSxTv3j/uVO8djXY/lMUe7HgvRj+E8xmR8bxSKgqDElcqlfospe3GzUvi0lko7XfWnkKidzfqt+0fdjur23ZxaZuF2PKW0HqU/BUGJK8dPw6NRCp/WsuPIbQvfg0diXHfXU6M+XmN4KDeKpbAeZTAFQYnTp6jSkb3kcfbHdsZ6GWhtFKVUKAgmAW0wSkOhj9eIlAr9ZrHIMGWP1+QK2/EaKU8KApFhyh6vqYlHM18YCunxGik/GhoSGSYdr5FypSAQGQEdr5FypKEhEZGQUxCIiIScgkBEJOQUBCIiIacgEBEJOQWBiEjIKQhEREJOQSAiEnIKAhGRkFMQiIiEnIJAZAJlf+Gsfd55rN+6n1S69H8zXMqfrjUkMkEK+QtnIoWkPQKRCdLvF84s0u8XzkSKSUEgMkGO9QtnIsWkIBCZIPqFMylVCgKRCaJfOJNSpYPFIhNEv3AmpUpBIDKB9AtnUoo0NCQiEnIKAhGRkFMQiIiE3JiCwMz+j5ltM7NnzOyXZlafM+1GM9tpZtvN7K9yyi8Kynaa2Q1jeX4RERm7se4RPASc4e5nAi8ANwKY2RLgSuB04CLg/5pZ1MyiwPeAi4ElwKqgroiIFMmYgsDdf+fuyeDuY8D84PblwE/dvdfddwM7gXOCv53uvsvdE8BPg7oiIlIkhTxG8FHgN8HteUBTzrTmoGyo8kHM7Boz22Rmm9ra2grYTBERyXXc7xGY2e+BE/NM+ry73xfU+TyQBO7MzpanvpM/ePJeh9fdbwVuBVi2bJmu1SsiMk6OGwTufuGxppvZauAyYKW7ZzfYzUBjTrX5QEtwe6hyEREpgrGeNXQR8Fngve7elTNpHXClmVWa2cnAQuDPwOPAQjM72cziZA4orxtLG0REZGzGeomJ7wKVwENmBvCYu/+9u28xs7uB58kMGV3r7ikAM/tH4EEgCvzQ3beMsQ0iIjIGYwoCdz/1GNO+DHw5T/kDwANjeV4RESkcfbNYRCTkFAQiIiGnIBARCTkFgYhIyCkIRERCTkEgIhJyCgIRkZBTEIiIhJyCQEQk5BQEIiIhpyAQEQk5BYGISMgpCEREQk5BICIScgoCCa1U2umqP4X2eeexfut+Umn9IqqE01h/mEZkUkqlnavWbqRt4XvwSIzr7nqKpY313LHmXKKRfD+5LVK+tEcgobRheyubm9rxaBwsQlcixeamdjZsby1200QmnIJAQmlLSwfdiVS/su5EiudbOorUIpHiURBIKJ0+t47qeLRfWXU8ypK5dUVqkUjxKAgklFYsmsXSxnpq4lEMqIlHWdpYz4pFs4rdNJEJp4PFEkrRiHHHmnPZsL2V51s6WDK3jhWLZulAsYSSgkBCKxoxVi6ezcrFs4vdFJGi0tCQiEjIKQhEREJOQSAiEnIKAhGRkFMQiIiEnLmX/oW2zKwNeHkMD3EC8GqBmjNZqM/lL2z9BfV5pE5y94bjVZoUQTBWZrbJ3ZcVux0TSX0uf2HrL6jP40VDQyIiIacgEBEJubAEwa3FbkARqM/lL2z9BfV5XITiGIGIiAwtLHsEIiIyBAWBiEjIlXUQmNlFZrbdzHaa2Q3Fbk+hmFmjmf3BzLaa2RYz+0RQPsPMHjKzHcH/6UG5mdm3g+XwjJmdXdwejJ6ZRc3sKTO7P7h/spltDPr8MzOLB+WVwf2dwfQFxWz3aJlZvZnda2bbgvV9XrmvZzP7VPC6fs7M7jKzqnJbz2b2QzNrNbPncspGvF7NbHVQf4eZrR5te8o2CMwsCnwPuBhYAqwysyXFbVXBJIHr3X0xsBy4NujbDcB6d18IrA/uQ2YZLAz+rgG+P/FNLphPAFtz7n8NuDno80FgTVC+Bjjo7qcCNwf1JqNbgN+6+5uAt5Dpe9muZzObB3wcWObuZwBR4ErKbz3/GLhoQNmI1quZzQC+AJwLnAN8IRseI+buZfkHnAc8mHP/RuDGYrdrnPp6H/AuYDswJyibA2wPbv8AWJVT/2i9yfQHzA/eIBcA9wNG5huXsYHrHHgQOC+4HQvqWbH7MML+1gG7B7a7nNczMA9oAmYE6+1+4K/KcT0DC4DnRrtegVXAD3LK+9UbyV/Z7hHw+gsqqzkoKyvBrvBZwEZgtruHVwrHAAACTUlEQVTvBQj+Z393sVyWxbeAzwDp4P5MoN3dk8H93H4d7XMw/VBQfzI5BWgDfhQMh91mZrWU8Xp29z3A14FXgL1k1tsTlPd6zhrpei3Y+i7nIMj3m4Nlda6smU0Bfg580t07jlU1T9mkWhZmdhnQ6u5P5BbnqerDmDZZxICzge+7+1lAJ68PF+Qz6fscDG1cDpwMzAVqyQyNDFRO6/l4hupjwfpezkHQDDTm3J8PtBSpLQVnZhVkQuBOd/9FULzfzOYE0+cArUF5OSyLtwHvNbOXgJ+SGR76FlBvZtmfXM3t19E+B9OnAQcmssEF0Aw0u/vG4P69ZIKhnNfzhcBud29z9z7gF8BbKe/1nDXS9Vqw9V3OQfA4sDA42yBO5oDTuiK3qSDMzIC1wFZ3/2bOpHVA9syB1WSOHWTLrw7OPlgOHMrugk4W7n6ju8939wVk1uXD7v4h4A/A+4NqA/ucXRbvD+pPqk+K7r4PaDKzRUHRSuB5yng9kxkSWm5mNcHrPNvnsl3POUa6Xh8E3m1m04M9qXcHZSNX7AMm43ww5hLgBeBF4PPFbk8B+3U+mV3AZ4DNwd8lZMZG1wM7gv8zgvpG5gyqF4FnyZyRUfR+jKH/K4D7g9unAH8GdgL3AJVBeVVwf2cw/ZRit3uUfV0KbArW9b8D08t9PQNfBLYBzwF3AJXltp6Bu8gcA+kj88l+zWjWK/DRoO87gY+Mtj26xISISMiV89CQiIgMg4JARCTkFAQiIiGnIBARCTkFgYhIyCkIRERCTkEgIhJy/x+JByuJtx14HgAAAABJRU5ErkJggg==\n", + "text/plain": [ + "<Figure size 432x288 with 1 Axes>" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "# This one makes problems I did not dig into yet.\n", + "Inv_ar1.plot_cf_function(trial_id=0, dim=('position', 'z'), function_type='pacf')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Modelmaker Class " + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "This class provides the means to create time series forecasting ARIMA models. " + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Help on class Modelmaker in module predictor_box:\n", + "\n", + "class Modelmaker(builtins.object)\n", + " | Methods defined here:\n", + " | \n", + " | __init__(self, data)\n", + " | Initialize self. See help(type(self)) for accurate signature.\n", + " | \n", + " | apply_arima_models(self, p=1, d=0, q=0, pred_step=1, dim=('position', 'x'), trial_id=-1, n_preds=40, rolling=True, override=True, metric=<function mean_squared_error at 0x000001C3CA47D950>)\n", + " | This function applies ARIMA models to data and saves results internally\n", + " | \n", + " | This function applies an ARIMA(p,d,q) model to all trials selected with trial_id.\n", + " | The results are internally saved in Modelmaker.results, where you can see predictions\n", + " | or directly access the model instance. \n", + " | \n", + " | Keyword arguments:\n", + " | p -- int > 0, number of lag observations\n", + " | Default = 1\n", + " | d -- int > 0, order of differentiation\n", + " | Default = 0\n", + " | q -- int > 0, size of MA window\n", + " | Default = 0\n", + " | pred_step -- int > 0, forecasting horizon\n", + " | dim -- str tuple matching any feature in data, determining which feature values are used in \n", + " | this model.\n", + " | Default = ('position','x')\n", + " | trial_id -- [int >0] or int >= -1, If list of int, all trials which ID matches any element of\n", + " | said list will be fitted by an ARIMA model. If int is -1, all trials will be fitted by\n", + " | and ARIMA model\n", + " | Default = -1\n", + " | n_preds -- int > 0, number of predictions that shall be made. If this number is largere than the\n", + " | number of observations estimates can be compared to, it will throw a warning and will only\n", + " | produce len(observation) estimates.\n", + " | Default = 40\n", + " | rolling -- bool, if True, after each estimate, the actual observation is added to the history,\n", + " | and the model parameters are fitted to the updated history, befor making the next \n", + " | estimate\n", + " | Default = True\n", + " | override -- bool, if True, if the trial_id has already been fitted by an ARIMA, these results will \n", + " | be deleted and the new results will be shown for this row in results. If False,\n", + " | a new row is added (MIND that TrialID is not unique anymore in this case)\n", + " | Default = True\n", + " | metric -- function(list,list), user defined metric funtcion that handles two list arguments of the \n", + " | same length as inputs. Takes EXACTLY two list inputs, so modify before passing as argument.\n", + " | Note: Pass without brackets e.g. metric = my_metric BUT NOT LIKE metric = my_metric()\n", + " | Default = sklearn.metrics.mean_squared_error\n", + " | Returns:\n", + " | self.results -- Pandas dataframe, where each row contains informations about the fitted model \n", + " | to the respective trial id\n", + " | \n", + " | setup_data(self, random_split=True, tr_size=0.6, te_size=0.3, ev_size=0.1, pred_size=-1, split_type='inter')\n", + " | This function put data into train, test and eval set\n", + " | \n", + " | This function splits all trials in data into training, test \n", + " | and evaluation set and creates targets from a given shift.\n", + " | The number of trials in each set depends on \n", + " | the user specified allocation. \n", + " | Furthermore, the user has to select pred_size, which determines\n", + " | how far into the future the prediction shall take place\n", + " | \n", + " | Keyword arguments:\n", + " | random_split -- bool determining if data is allocated randomly to each set\n", + " | Default = True\n", + " | tr_size -- float determining the percentage of over all data allocated to \n", + " | training set.\n", + " | Default = .6\n", + " | te_size -- float determining the percentage of over all data allocated to \n", + " | test set.\n", + " | Default = .3 \n", + " | ev_size -- float determining the percentage of over all data allocated to \n", + " | evaluation set.\n", + " | Default = .1\n", + " | MIND THAT tr_size + te_size + ev_size = 1 HAS TO BE TRUE\n", + " | \n", + " | pred_size -- int <= 0 determining the shift of target to input data. Number\n", + " | has to be negative to be consistent with numpy shift method.\n", + " | Default = -1\n", + " | split_type -- string 'inter' or 'intra' determining how the sets are created.\n", + " | When 'inter', each set consists of complete, independent trajectories\n", + " | - Use this for neural networks\n", + " | When 'intra', each trajectory is cut into a training and a test part\n", + " | - Use this for ARIMA models\n", + " | Default = 'intra' \n", + " | \n", + " | Returns:\n", + " | ls_df_tr -- list of pandas.DataFrames, one entry per trajectory in training set\n", + " | ls_df_te -- list of pandas.DataFrames, one entry per trajectory in test set\n", + " | ls_df_ev -- list of pandas.DataFrames, one entry per trajectory in evaluation set\n", + " | \n", + " | ----------------------------------------------------------------------\n", + " | Data descriptors defined here:\n", + " | \n", + " | __dict__\n", + " | dictionary for instance variables (if defined)\n", + " | \n", + " | __weakref__\n", + " | list of weak references to the object (if defined)\n", + "\n" + ] + } + ], + "source": [ + "help(Modelmaker)" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "metadata": {}, + "outputs": [], + "source": [ + "Mom_ar1 = Modelmaker(data_ar1)\n", + "Mom_ar3 = Modelmaker(data_ar3)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Data Splitting" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "([ position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -1.744240 \n", + " 3 -1.744240 1.228898 0.809295 2.914220 1.251183 -0.446121 -1.921393 \n", + " 4 -1.921393 2.032020 -0.757841 2.481291 1.061665 -0.720897 -1.407941 \n", + " 5 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-1.387877 \n", + " 7 -1.387877 -0.405179 0.404415 -2.222590 -1.198933 0.266637 -0.536830 \n", + " 8 -0.536830 -0.006396 0.854866 -0.806788 1.960796 1.246698 -1.137163 \n", + " 9 -1.137163 0.927161 0.456963 -0.579748 0.841613 1.326939 -0.454393 \n", + " 10 -0.454393 1.849599 -0.769404 -0.420741 0.176354 1.452577 0.501748 \n", + " 11 0.501748 1.274157 -1.143936 1.508543 -0.922262 0.197210 2.374510 \n", + " 12 2.374510 -0.615998 -1.914260 2.155526 -0.264526 0.840377 3.256293 \n", + " 13 3.256293 -1.814476 0.502293 0.927124 1.450840 -0.402807 2.338238 \n", + " 14 2.338238 -2.841411 1.824410 1.413577 -0.701954 1.121792 0.194049 \n", + " 15 0.194049 -2.132490 1.082684 1.557233 0.807041 -1.414795 -2.725659 \n", + " 16 -2.725659 -0.453253 -1.669782 0.588088 -0.283590 -1.380294 -1.431663 \n", + " 17 -1.431663 2.273236 -1.284572 -0.646138 0.944577 -0.357522 -0.861380 \n", + " 18 -0.861380 3.759362 -2.194158 -2.471559 -0.401709 0.471806 -0.657506 \n", + " 19 -0.657506 1.877004 -2.230400 -1.044678 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-0.213344 \n", + " 45 -0.213344 0.328462 0.641448 0.161533 3.188270 3.278157 -0.645677 \n", + " 46 -0.645677 -0.938095 2.696492 -3.163444 2.393935 1.846714 -1.819813 \n", + " 47 -1.819813 1.069063 2.640593 -4.059076 -0.934045 -0.555106 -0.060650 \n", + " 48 -0.060650 2.832344 0.419341 -1.762832 -2.011250 -2.730722 1.574337 \n", + " 49 1.574337 0.296034 -2.449723 1.427821 -2.617912 -0.891377 1.648484 \n", + " 50 1.648484 -2.577897 -4.456872 5.383484 -1.122133 -0.291147 0.470128 \n", + " 51 0.470128 -2.092748 0.054405 4.194663 0.431307 1.054826 0.418704 \n", + " 52 0.418704 -0.104815 -0.155819 1.869624 1.715551 1.828606 0.212312 \n", + " 53 0.212312 2.136892 0.565776 -2.449772 0.455328 0.465133 -2.493116 \n", + " 54 -2.493116 1.482777 1.831065 -3.415001 -1.384483 -1.134266 -2.932764 \n", + " 55 -2.932764 0.646100 2.946157 -1.666874 -0.775951 -2.164853 -2.901539 \n", + " 56 -2.901539 -0.606953 0.832042 2.166167 0.534006 0.644717 -0.491919 \n", + " 57 -0.491919 -0.622643 -1.842031 2.978643 0.110604 0.488744 0.293133 \n", + " 58 0.293133 1.290826 -2.043039 0.396222 0.000410 0.589532 0.647176 \n", + " 59 0.647176 0.610055 -0.074264 -2.500920 -0.465789 0.556178 1.917445 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.508701 -0.893944 0.355988 0.628985 0.236117 \n", + " 3 0.127981 -1.263108 -1.077391 -0.750686 -1.076984 \n", + " 4 -0.738062 -0.104229 -1.944208 -3.537495 -1.091518 \n", + " 5 -0.243751 1.893374 -2.150719 -3.562060 0.259886 \n", + " 6 -0.405179 0.404415 -2.222590 -1.198933 0.266637 \n", + " 7 -0.006396 0.854866 -0.806788 1.960796 1.246698 \n", + " 8 0.927161 0.456963 -0.579748 0.841613 1.326939 \n", + " 9 1.849599 -0.769404 -0.420741 0.176354 1.452577 \n", + " 10 1.274157 -1.143936 1.508543 -0.922262 0.197210 \n", + " 11 -0.615998 -1.914260 2.155526 -0.264526 0.840377 \n", + " 12 -1.814476 0.502293 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0.362876 0.553690 -1.961598 0.790970 1.015679 \n", + " 30 -2.255570 -2.534010 -4.188143 -2.506270 0.951098 \n", + " 31 -1.593698 -3.075393 -2.643829 -4.226707 -1.277455 \n", + " 32 -0.548759 0.078493 -1.263646 -2.898904 -1.736998 \n", + " 33 0.620133 0.623671 0.591161 0.390427 -2.945627 \n", + " 34 1.310231 1.064197 2.943777 2.999562 -0.237244 \n", + " 35 1.190637 -0.076852 3.220444 3.575221 1.431932 \n", + " 36 0.228281 -0.276202 0.376402 4.328132 2.893848 \n", + " 37 -0.859328 -0.456566 -3.594740 0.198735 0.983158 \n", + " 38 -0.951350 1.585643 -4.164832 -2.288563 0.277251 \n", + " 39 -1.395871 1.080715 -4.526313 -4.248303 -1.624725 \n", + " 40 -0.185294 -0.526255 0.104716 -3.684406 -2.173040 \n", + " 41 -0.314139 -2.264514 3.304640 -1.284019 -2.404289 \n", + " 42 0.650403 -2.987171 5.356563 0.843409 0.168977 \n", + " 43 0.393947 -0.956007 3.690160 2.965167 1.778012 \n", + " 44 0.328462 0.641448 0.161533 3.188270 3.278157 \n", + " 45 -0.938095 2.696492 -3.163444 2.393935 1.846714 \n", + " 46 1.069063 2.640593 -4.059076 -0.934045 -0.555106 \n", + " 47 2.832344 0.419341 -1.762832 -2.011250 -2.730722 \n", + " 48 0.296034 -2.449723 1.427821 -2.617912 -0.891377 \n", + " 49 -2.577897 -4.456872 5.383484 -1.122133 -0.291147 \n", + " 50 -2.092748 0.054405 4.194663 0.431307 1.054826 \n", + " 51 -0.104815 -0.155819 1.869624 1.715551 1.828606 \n", + " 52 2.136892 0.565776 -2.449772 0.455328 0.465133 \n", + " 53 1.482777 1.831065 -3.415001 -1.384483 -1.134266 \n", + " 54 0.646100 2.946157 -1.666874 -0.775951 -2.164853 \n", + " 55 -0.606953 0.832042 2.166167 0.534006 0.644717 \n", + " 56 -0.622643 -1.842031 2.978643 0.110604 0.488744 \n", + " 57 1.290826 -2.043039 0.396222 0.000410 0.589532 \n", + " 58 0.610055 -0.074264 -2.500920 -0.465789 0.556178 \n", + " 59 0.424083 1.814160 -2.762027 -0.682391 0.843818 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.335460 \n", + " 3 0.335460 0.655162 0.670093 0.389612 0.004659 0.598505 -0.208547 \n", + " 4 -0.208547 -0.890658 -1.612670 0.376960 -1.802568 -1.252062 0.404304 \n", + " 5 0.404304 -2.675789 -2.718366 -0.170598 -2.470702 -2.858259 2.055651 \n", + " 6 2.055651 -1.815587 -0.604856 -2.417181 -1.743743 -2.999192 -0.220935 \n", + " 7 -0.220935 0.267567 0.943556 -2.867000 0.010486 -2.238655 -0.511906 \n", + " 8 -0.511906 1.017433 3.256458 -2.488174 3.396665 0.846595 -0.041042 \n", + " 9 -0.041042 1.203074 1.291150 -1.251536 2.262240 2.521921 -0.941694 \n", + " 10 -0.941694 -1.213438 -0.061213 1.615200 0.676420 0.633186 -0.233857 \n", + " 11 -0.233857 -0.921131 -1.102887 2.549480 -2.514193 -0.780633 0.165066 \n", + " 12 0.165066 -2.438291 -0.844134 0.963100 -2.825777 -1.822103 1.129537 \n", + " 13 1.129537 -0.162070 -0.516229 -0.670428 -1.043052 -1.052848 2.161762 \n", + " 14 2.161762 0.918260 1.352535 -2.323096 -0.399578 -1.378945 1.442923 \n", + " 15 1.442923 1.629839 2.225494 -2.270462 1.129031 -1.417942 0.347769 \n", + " 16 0.347769 3.413448 -0.191074 -1.808550 1.973937 1.106743 -0.574102 \n", + " 17 -0.574102 1.638654 -1.320441 -0.147742 1.135646 2.739340 -1.299385 \n", + " 18 -1.299385 -0.613843 -0.411610 0.850235 -0.301220 4.015155 -1.523066 \n", + " 19 -1.523066 -2.574435 1.211386 0.413553 -2.113989 1.660017 -1.892813 \n", + " 20 -1.892813 -2.804607 0.059938 -0.257098 -0.758289 -2.467536 -1.089078 \n", + " 21 -1.089078 0.590464 -2.427556 -1.448122 0.390327 -2.953615 1.226063 \n", + " 22 1.226063 3.764462 -2.637002 -0.503448 1.361878 -3.021622 3.509015 \n", + " 23 3.509015 3.751618 -1.730019 0.087818 1.276690 -0.093709 2.818303 \n", + " 24 2.818303 0.158158 -0.199380 -0.143180 0.120962 1.805356 0.229331 \n", + " 25 0.229331 -0.591048 2.670172 -0.357351 -0.826568 1.387230 -2.464145 \n", + " 26 -2.464145 -0.044925 2.747674 -0.253695 0.723745 0.114984 -3.345175 \n", + " 27 -3.345175 -1.764404 0.158404 -0.544685 0.220944 -1.443938 -1.145725 \n", + " 28 -1.145725 0.088009 -2.731045 0.561418 0.067424 -2.603352 1.310971 \n", + " 29 1.310971 1.156000 -1.794040 1.691130 -1.591638 -1.407345 2.223143 \n", + " 30 2.223143 4.824818 0.878699 1.189443 -1.754989 3.061639 1.414679 \n", + " 31 1.414679 2.640800 1.674868 2.068266 -0.563996 3.398923 0.989823 \n", + " 32 0.989823 -0.039458 2.260515 2.326047 0.600151 2.172148 -0.735382 \n", + " 33 -0.735382 -3.096089 1.261165 0.509975 1.248398 -1.525461 -0.047531 \n", + " 34 -0.047531 -3.231603 1.657593 -1.922735 2.184441 -3.716679 -0.359053 \n", + " 35 -0.359053 -2.610354 -0.679358 -2.046545 -0.165774 -2.917921 -0.949985 \n", + " 36 -0.949985 0.392372 -1.520801 -0.479727 -0.365007 -1.873181 -2.092549 \n", + " 37 -2.092549 3.029674 -2.883829 2.580641 0.382171 1.777564 -1.337893 \n", + " 38 -1.337893 5.118429 -1.277671 3.423585 -0.475706 2.364838 0.296578 \n", + " 39 0.296578 2.266558 0.847617 2.624259 -0.462602 1.482921 0.303848 \n", + " 40 0.303848 -1.410757 1.350369 0.283178 -0.807884 -0.596860 -0.931483 \n", + " 41 -0.931483 -2.713135 2.216366 -3.137491 -0.852208 -1.838674 -0.975211 \n", + " 42 -0.975211 -2.498506 -1.500245 -2.589947 0.724829 -0.411845 0.843411 \n", + " 43 0.843411 -0.786873 -1.134872 -2.289547 2.097922 1.835627 1.920358 \n", + " 44 1.920358 -0.877096 -1.809103 0.142405 2.038431 3.066529 2.251817 \n", + " 45 2.251817 0.864103 0.089954 1.141480 -0.633200 -1.301880 2.806659 \n", + " 46 2.806659 0.322746 2.999028 2.384193 -0.728005 -1.152484 -0.432737 \n", + " 47 -0.432737 -0.680141 2.065455 0.683194 -0.755575 -0.809104 -0.194410 \n", + " 48 -0.194410 1.242534 0.293164 0.075415 1.146329 0.296959 -1.482473 \n", + " 49 -1.482473 -0.421868 0.086281 -0.017071 3.256341 0.994896 -0.863906 \n", + " 50 -0.863906 -0.472445 -0.532720 -1.093271 1.861063 0.001726 -0.168904 \n", + " 51 -0.168904 1.414452 -1.856463 0.263074 0.115330 -1.489293 -0.780541 \n", + " 52 -0.780541 0.299929 -1.697547 1.454566 -1.896505 -2.053233 0.876243 \n", + " 53 0.876243 0.572516 -0.725803 0.673569 -1.648956 -0.737723 0.602638 \n", + " 54 0.602638 1.342478 -1.167023 0.039504 -0.912043 1.047737 -0.007609 \n", + " 55 -0.007609 -0.650921 0.299647 -1.460090 2.442997 1.049209 -0.679776 \n", + " 56 -0.679776 -0.733743 1.708542 -0.874956 2.631051 0.003174 -1.012600 \n", + " 57 -1.012600 0.201594 2.098921 -0.063446 2.086554 0.236624 -0.726567 \n", + " 58 -0.726567 1.752496 1.826904 0.304219 -0.637870 1.188979 -0.851441 \n", + " 59 -0.851441 2.443209 0.404109 0.265671 -0.864321 0.198650 -0.713908 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.655162 0.670093 0.389612 0.004659 0.598505 \n", + " 3 -0.890658 -1.612670 0.376960 -1.802568 -1.252062 \n", + " 4 -2.675789 -2.718366 -0.170598 -2.470702 -2.858259 \n", + " 5 -1.815587 -0.604856 -2.417181 -1.743743 -2.999192 \n", + " 6 0.267567 0.943556 -2.867000 0.010486 -2.238655 \n", + " 7 1.017433 3.256458 -2.488174 3.396665 0.846595 \n", + " 8 1.203074 1.291150 -1.251536 2.262240 2.521921 \n", + " 9 -1.213438 -0.061213 1.615200 0.676420 0.633186 \n", + " 10 -0.921131 -1.102887 2.549480 -2.514193 -0.780633 \n", + " 11 -2.438291 -0.844134 0.963100 -2.825777 -1.822103 \n", + " 12 -0.162070 -0.516229 -0.670428 -1.043052 -1.052848 \n", + " 13 0.918260 1.352535 -2.323096 -0.399578 -1.378945 \n", + " 14 1.629839 2.225494 -2.270462 1.129031 -1.417942 \n", + " 15 3.413448 -0.191074 -1.808550 1.973937 1.106743 \n", + " 16 1.638654 -1.320441 -0.147742 1.135646 2.739340 \n", + " 17 -0.613843 -0.411610 0.850235 -0.301220 4.015155 \n", + " 18 -2.574435 1.211386 0.413553 -2.113989 1.660017 \n", + " 19 -2.804607 0.059938 -0.257098 -0.758289 -2.467536 \n", + " 20 0.590464 -2.427556 -1.448122 0.390327 -2.953615 \n", + " 21 3.764462 -2.637002 -0.503448 1.361878 -3.021622 \n", + " 22 3.751618 -1.730019 0.087818 1.276690 -0.093709 \n", + " 23 0.158158 -0.199380 -0.143180 0.120962 1.805356 \n", + " 24 -0.591048 2.670172 -0.357351 -0.826568 1.387230 \n", + " 25 -0.044925 2.747674 -0.253695 0.723745 0.114984 \n", + " 26 -1.764404 0.158404 -0.544685 0.220944 -1.443938 \n", + " 27 0.088009 -2.731045 0.561418 0.067424 -2.603352 \n", + " 28 1.156000 -1.794040 1.691130 -1.591638 -1.407345 \n", + " 29 4.824818 0.878699 1.189443 -1.754989 3.061639 \n", + " 30 2.640800 1.674868 2.068266 -0.563996 3.398923 \n", + " 31 -0.039458 2.260515 2.326047 0.600151 2.172148 \n", + " 32 -3.096089 1.261165 0.509975 1.248398 -1.525461 \n", + " 33 -3.231603 1.657593 -1.922735 2.184441 -3.716679 \n", + " 34 -2.610354 -0.679358 -2.046545 -0.165774 -2.917921 \n", + " 35 0.392372 -1.520801 -0.479727 -0.365007 -1.873181 \n", + " 36 3.029674 -2.883829 2.580641 0.382171 1.777564 \n", + " 37 5.118429 -1.277671 3.423585 -0.475706 2.364838 \n", + " 38 2.266558 0.847617 2.624259 -0.462602 1.482921 \n", + " 39 -1.410757 1.350369 0.283178 -0.807884 -0.596860 \n", + " 40 -2.713135 2.216366 -3.137491 -0.852208 -1.838674 \n", + " 41 -2.498506 -1.500245 -2.589947 0.724829 -0.411845 \n", + " 42 -0.786873 -1.134872 -2.289547 2.097922 1.835627 \n", + " 43 -0.877096 -1.809103 0.142405 2.038431 3.066529 \n", + " 44 0.864103 0.089954 1.141480 -0.633200 -1.301880 \n", + " 45 0.322746 2.999028 2.384193 -0.728005 -1.152484 \n", + " 46 -0.680141 2.065455 0.683194 -0.755575 -0.809104 \n", + " 47 1.242534 0.293164 0.075415 1.146329 0.296959 \n", + " 48 -0.421868 0.086281 -0.017071 3.256341 0.994896 \n", + " 49 -0.472445 -0.532720 -1.093271 1.861063 0.001726 \n", + " 50 1.414452 -1.856463 0.263074 0.115330 -1.489293 \n", + " 51 0.299929 -1.697547 1.454566 -1.896505 -2.053233 \n", + " 52 0.572516 -0.725803 0.673569 -1.648956 -0.737723 \n", + " 53 1.342478 -1.167023 0.039504 -0.912043 1.047737 \n", + " 54 -0.650921 0.299647 -1.460090 2.442997 1.049209 \n", + " 55 -0.733743 1.708542 -0.874956 2.631051 0.003174 \n", + " 56 0.201594 2.098921 -0.063446 2.086554 0.236624 \n", + " 57 1.752496 1.826904 0.304219 -0.637870 1.188979 \n", + " 58 2.443209 0.404109 0.265671 -0.864321 0.198650 \n", + " 59 0.320904 -0.782775 -0.722663 0.071847 1.164273 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.282104 \n", + " 3 0.282104 2.527072 0.053751 -0.747270 1.024441 -0.308084 -0.176100 \n", + " 4 -0.176100 2.774437 -1.417617 -2.388603 0.792882 -0.005661 -0.362647 \n", + " 5 -0.362647 1.514889 -0.693398 -1.809003 0.833227 -0.568688 0.957764 \n", + " 6 0.957764 -1.160846 -0.058331 -1.922642 0.743373 -0.265602 1.338473 \n", + " 7 1.338473 -1.967087 -0.120655 -0.104962 -1.718009 1.391402 0.553285 \n", + " 8 0.553285 -0.104141 1.145635 2.358642 -3.899148 0.792603 -0.678316 \n", + " 9 -0.678316 -1.062196 0.286197 1.387253 -2.968791 -0.655180 -1.023560 \n", + " 10 -1.023560 0.070290 -0.601704 0.081933 -0.296993 -2.802071 -1.052147 \n", + " 11 -1.052147 -0.865385 -0.627210 -2.013738 2.784223 -2.851043 -1.110459 \n", + " 12 -1.110459 0.741748 0.383432 0.422551 2.655531 -0.533976 -0.090489 \n", + " 13 -0.090489 0.182364 2.693943 1.580954 1.182287 1.611254 2.120551 \n", + " 14 2.120551 2.273338 2.467618 -0.254572 -0.270416 1.709722 1.738960 \n", + " 15 1.738960 2.080701 -0.742729 -0.059489 -1.225876 -0.117220 0.570438 \n", + " 16 0.570438 1.984019 -2.306678 -1.286392 -1.737922 -2.791504 -0.802916 \n", + " 17 -0.802916 -0.347147 -2.086733 0.064133 0.415610 -3.966435 -1.155271 \n", + " 18 -1.155271 -0.859487 -0.447376 1.367782 2.113830 -2.161248 -2.299598 \n", + " 19 -2.299598 -2.780202 1.881964 1.186347 1.757235 -0.837007 -1.141388 \n", + " 20 -1.141388 -1.640727 2.919352 -0.231114 0.607976 -0.260294 0.161895 \n", + " 21 0.161895 -0.311408 1.090522 -1.996058 -1.495137 -1.211999 0.977533 \n", + " 22 0.977533 2.682223 -0.486868 -1.591319 -0.717460 2.030335 2.276005 \n", + " 23 2.276005 3.180912 -0.825177 1.745693 -0.582786 0.580919 0.976614 \n", + " 24 0.976614 1.026754 -1.835023 2.948012 0.355221 1.070721 -0.170970 \n", + " 25 -0.170970 -2.650657 -0.600131 2.631935 1.283404 0.859911 -2.301919 \n", + " 26 -2.301919 -2.591763 0.666658 -0.815957 0.709718 0.575041 -2.162117 \n", + " 27 -2.162117 -3.144118 1.978704 -3.179458 -0.327112 0.444054 -0.142863 \n", + " 28 -0.142863 1.171749 1.832748 -3.959632 -0.593044 -0.562229 -0.210030 \n", + " 29 -0.210030 1.768602 0.620396 -2.747506 -0.207836 -2.844866 -0.323817 \n", + " 30 -0.323817 1.252998 -0.126409 0.725120 2.096069 -2.800235 0.692522 \n", + " 31 0.692522 -0.287751 -1.876668 1.104504 1.738656 -0.780270 0.314512 \n", + " 32 0.314512 -0.609485 -0.810917 0.433018 4.643991 1.886823 0.423391 \n", + " 33 0.423391 0.220317 -1.634879 1.863596 2.541357 2.402389 -1.433340 \n", + " 34 -1.433340 -0.748816 0.990298 -1.533559 -0.220269 -0.329485 -1.363885 \n", + " 35 -1.363885 1.172366 2.919815 -0.785801 -2.879285 -2.947995 -1.939667 \n", + " 36 -1.939667 1.017393 2.695288 -0.313108 -1.961810 -2.480942 -1.090117 \n", + " 37 -1.090117 -0.704449 1.214843 0.658240 -2.082969 -0.578416 0.511365 \n", + " 38 0.511365 -0.276308 -1.183597 1.427139 1.186688 -0.193197 1.800518 \n", + " 39 1.800518 -0.464079 -1.075941 -0.035424 0.404930 0.267656 0.724119 \n", + " 40 0.724119 -1.230749 -0.105793 -3.371898 2.586482 1.765092 0.751606 \n", + " 41 0.751606 0.538642 2.489840 -2.608553 0.442343 -0.941855 -0.847326 \n", + " 42 -0.847326 0.775761 3.760244 -2.112103 -1.680635 -1.249386 -1.853155 \n", + " 43 -1.853155 -0.452540 1.794177 1.151963 -1.876895 -1.170304 -0.654036 \n", + " 44 -0.654036 -2.492525 0.051561 2.105576 -0.170984 0.702284 1.573789 \n", + " 45 1.573789 -3.448222 -2.746071 2.795223 0.622504 2.152162 2.814233 \n", + " 46 2.814233 -2.027479 -0.839718 0.892700 0.181053 1.795559 0.497675 \n", + " 47 0.497675 2.972686 -0.102682 -1.786268 -0.167836 0.476839 -1.778522 \n", + " 48 -1.778522 3.261193 0.502008 -1.381174 -1.162240 -1.859938 -3.313097 \n", + " 49 -3.313097 2.755658 0.977600 -1.362209 -1.465292 -2.815439 -2.521233 \n", + " 50 -2.521233 0.815185 1.297312 0.366652 -1.496349 -1.424725 0.797144 \n", + " 51 0.797144 -2.310906 1.183123 2.838157 1.074323 0.850057 4.129593 \n", + " 52 4.129593 -2.578172 -0.798237 1.281898 1.179945 2.874887 4.110154 \n", + " 53 4.110154 -0.945592 -1.762863 0.315564 1.005154 2.319699 -0.012547 \n", + " 54 -0.012547 1.840674 -2.510027 -2.585997 1.054641 0.266067 -3.277374 \n", + " 55 -3.277374 3.807379 -1.546171 -1.848162 -2.399580 -1.670707 -3.762632 \n", + " 56 -3.762632 1.141575 0.033080 -0.707013 -2.612053 -1.311284 -0.794816 \n", + " 57 -0.794816 -0.789798 0.591530 1.716511 -1.229454 -1.466167 2.457440 \n", + " 58 2.457440 -4.099479 0.565011 -0.243943 0.213565 -0.062243 2.390794 \n", + " 59 2.390794 -2.137371 0.586170 -0.721870 1.484510 0.544669 -0.243095 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 2.527072 0.053751 -0.747270 1.024441 -0.308084 \n", + " 3 2.774437 -1.417617 -2.388603 0.792882 -0.005661 \n", + " 4 1.514889 -0.693398 -1.809003 0.833227 -0.568688 \n", + " 5 -1.160846 -0.058331 -1.922642 0.743373 -0.265602 \n", + " 6 -1.967087 -0.120655 -0.104962 -1.718009 1.391402 \n", + " 7 -0.104141 1.145635 2.358642 -3.899148 0.792603 \n", + " 8 -1.062196 0.286197 1.387253 -2.968791 -0.655180 \n", + " 9 0.070290 -0.601704 0.081933 -0.296993 -2.802071 \n", + " 10 -0.865385 -0.627210 -2.013738 2.784223 -2.851043 \n", + " 11 0.741748 0.383432 0.422551 2.655531 -0.533976 \n", + " 12 0.182364 2.693943 1.580954 1.182287 1.611254 \n", + " 13 2.273338 2.467618 -0.254572 -0.270416 1.709722 \n", + " 14 2.080701 -0.742729 -0.059489 -1.225876 -0.117220 \n", + " 15 1.984019 -2.306678 -1.286392 -1.737922 -2.791504 \n", + " 16 -0.347147 -2.086733 0.064133 0.415610 -3.966435 \n", + " 17 -0.859487 -0.447376 1.367782 2.113830 -2.161248 \n", + " 18 -2.780202 1.881964 1.186347 1.757235 -0.837007 \n", + " 19 -1.640727 2.919352 -0.231114 0.607976 -0.260294 \n", + " 20 -0.311408 1.090522 -1.996058 -1.495137 -1.211999 \n", + " 21 2.682223 -0.486868 -1.591319 -0.717460 2.030335 \n", + " 22 3.180912 -0.825177 1.745693 -0.582786 0.580919 \n", + " 23 1.026754 -1.835023 2.948012 0.355221 1.070721 \n", + " 24 -2.650657 -0.600131 2.631935 1.283404 0.859911 \n", + " 25 -2.591763 0.666658 -0.815957 0.709718 0.575041 \n", + " 26 -3.144118 1.978704 -3.179458 -0.327112 0.444054 \n", + " 27 1.171749 1.832748 -3.959632 -0.593044 -0.562229 \n", + " 28 1.768602 0.620396 -2.747506 -0.207836 -2.844866 \n", + " 29 1.252998 -0.126409 0.725120 2.096069 -2.800235 \n", + " 30 -0.287751 -1.876668 1.104504 1.738656 -0.780270 \n", + " 31 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1.500000 1.500000 0.378455 \n", + " 3 0.378455 0.776508 0.213522 0.275094 1.475377 0.364476 1.037866 \n", + " 4 1.037866 -0.072874 0.488741 -0.794264 0.693952 -1.109638 -0.965873 \n", + " 5 -0.965873 -2.954792 0.371759 -1.957637 0.901472 -1.204365 -1.844634 \n", + " 6 -1.844634 -2.488432 1.690841 -0.243125 -1.092026 0.240313 -2.420104 \n", + " 7 -2.420104 -1.823961 0.966756 0.550093 -1.716824 0.581879 -1.266796 \n", + " 8 -1.266796 0.542935 -1.202578 1.115746 -1.474920 -0.627377 1.273326 \n", + " 9 1.273326 1.736443 -2.683670 1.966648 0.660967 0.084064 2.703130 \n", + " 10 2.703130 1.607021 -2.067175 1.442297 1.255416 -0.262734 2.699483 \n", + " 11 2.699483 1.206374 -1.524551 0.061082 1.457719 0.398994 0.734178 \n", + " 12 0.734178 0.372624 2.155501 -2.774415 0.342608 0.741186 -0.028405 \n", + " 13 -0.028405 -1.013060 3.048330 -3.696410 0.891614 1.021334 -0.016214 \n", + " 14 -0.016214 -2.116188 2.431874 -3.511950 -0.058272 2.089617 -0.857499 \n", + " 15 -0.857499 -0.421967 -0.511038 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\n", + " 7 0.542935 -1.202578 1.115746 -1.474920 -0.627377 \n", + " 8 1.736443 -2.683670 1.966648 0.660967 0.084064 \n", + " 9 1.607021 -2.067175 1.442297 1.255416 -0.262734 \n", + " 10 1.206374 -1.524551 0.061082 1.457719 0.398994 \n", + " 11 0.372624 2.155501 -2.774415 0.342608 0.741186 \n", + " 12 -1.013060 3.048330 -3.696410 0.891614 1.021334 \n", + " 13 -2.116188 2.431874 -3.511950 -0.058272 2.089617 \n", + " 14 -0.421967 -0.511038 -0.416645 -1.421972 -0.284781 \n", + " 15 0.299183 -2.804121 0.968201 -1.901654 -1.682502 \n", + " 16 2.051892 -4.406471 1.993474 -0.859435 -0.984918 \n", + " 17 -0.161555 -1.859687 2.192961 2.585930 0.154996 \n", + " 18 -1.038923 2.178356 0.757758 2.840570 0.034330 \n", + " 19 -2.008332 5.598330 -2.480298 3.903125 -0.034025 \n", + " 20 -0.711806 2.279509 -1.051688 2.268906 -0.269051 \n", + " 21 0.335862 0.218177 -1.729386 -1.476073 1.057878 \n", + " 22 0.505126 -3.938745 0.855583 -3.922319 1.394151 \n", + " 23 0.532879 -3.389386 -1.201590 -2.260341 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-0.543929 0.931100 \n", + " 10 0.931100 -0.435892 0.917200 -0.322423 0.846942 -0.614335 -0.103525 \n", + " 11 -0.103525 0.310080 -0.559660 -0.722863 0.870797 -0.421355 -2.437414 \n", + " 12 -2.437414 1.666332 -1.952640 0.144167 1.454393 0.620418 -2.799790 \n", + " 13 -2.799790 1.712183 -2.017011 -0.462776 0.922048 1.422826 -1.823646 \n", + " 14 -1.823646 -1.619299 -0.402705 -0.864877 0.626590 0.573559 -0.634449 \n", + " 15 -0.634449 -1.964751 3.215743 0.652286 -0.698703 0.983745 1.724776 \n", + " 16 1.724776 -1.043173 3.303242 1.892438 -0.392165 1.959949 3.048332 \n", + " 17 3.048332 1.366690 1.806685 0.537361 -0.663663 0.365948 2.728174 \n", + " 18 2.728174 3.917896 0.204939 -0.237478 -1.612678 -2.617322 0.588017 \n", + " 19 0.588017 2.971521 -1.937362 -1.110111 -0.648242 -5.234922 -2.944768 \n", + " 20 -2.944768 -0.878132 -2.592058 1.355370 1.897755 -4.076812 -4.330964 \n", + " 21 -4.330964 -1.182677 -1.001999 0.525892 2.325570 0.297279 -2.539485 \n", + " 22 -2.539485 -3.252722 1.846660 -1.172722 2.942914 3.624056 0.321653 \n", + " 23 0.321653 1.174717 4.379161 -0.345409 2.458086 3.818184 2.588637 \n", + " 24 2.588637 2.247795 2.714474 -1.126631 -0.407101 1.266261 3.756483 \n", + " 25 3.756483 2.015922 -1.988133 0.070230 -2.895631 -1.260718 2.401574 \n", + " 26 2.401574 0.040155 -5.371255 0.999040 -3.743910 -1.328824 1.105973 \n", + " 27 1.105973 -4.352793 -6.262370 1.545516 -2.682200 -0.891996 -1.443727 \n", + " 28 -1.443727 -5.271961 -2.538321 0.670198 -1.158738 -0.052345 -2.503177 \n", + " 29 -2.503177 -3.784723 3.662490 1.211886 2.395341 1.363250 -0.576489 \n", + " 30 -0.576489 1.439743 4.610926 -0.211768 0.886343 -0.044033 2.447427 \n", + " 31 2.447427 5.850003 3.521308 -2.137057 1.868113 1.550056 2.456059 \n", + " 32 2.456059 6.333669 -0.115289 -0.850551 1.202907 -0.006278 1.239744 \n", + " 33 1.239744 1.065255 -1.281616 0.093622 1.386926 0.537589 -0.938457 \n", + " 34 -0.938457 -5.105597 -2.855645 -0.233438 0.211221 -3.202369 -1.299310 \n", + " 35 -1.299310 -6.522691 -4.217502 -0.189525 -1.782493 -3.713565 -0.810934 \n", + " 36 -0.810934 -3.385014 -1.535661 -0.473167 -0.709294 -2.407378 0.212972 \n", + " 37 0.212972 0.561707 -0.087964 1.648577 -0.337090 0.243640 2.096035 \n", + " 38 2.096035 2.443421 3.617485 1.804028 2.529868 3.232696 1.247451 \n", + " 39 1.247451 3.248722 4.320485 0.669525 2.204730 3.062716 0.233335 \n", + " 40 0.233335 -0.857444 2.990080 -2.292345 0.819584 -1.267134 -0.697278 \n", + " 41 -0.697278 -2.459495 -1.869073 -2.895470 -1.621816 -3.870099 -0.555277 \n", + " 42 -0.555277 -2.920027 -3.720368 -1.069367 -2.554158 -2.992091 -0.261636 \n", + " 43 -0.261636 -1.094934 -3.667740 0.219746 -1.479152 -3.511843 -0.085339 \n", + " 44 -0.085339 0.093415 -0.251302 2.640145 -0.103501 -1.054451 0.653216 \n", + " 45 0.653216 -1.334311 0.512502 3.176904 0.943866 1.600837 1.156405 \n", + " 46 1.156405 -1.726206 2.455302 2.152744 0.655889 1.479804 -0.577448 \n", + " 47 -0.577448 -0.356541 3.248353 -0.589589 -0.222225 0.799858 0.110494 \n", + " 48 0.110494 -0.224461 1.659231 -1.448271 0.061054 -1.409323 -0.789853 \n", + " 49 -0.789853 -0.871551 -1.781328 -1.526381 -3.142034 -2.786962 0.083473 \n", + " 50 0.083473 -0.725514 -1.644055 -2.182444 -3.655033 -2.646716 -0.081662 \n", + " 51 -0.081662 -0.550598 -1.332974 -2.591792 0.084960 0.656416 -0.705029 \n", + " 52 -0.705029 1.780171 1.925241 0.538080 3.522184 2.605465 0.509917 \n", + " 53 0.509917 1.430839 3.934221 2.149107 5.812846 3.603049 0.599120 \n", + " 54 0.599120 -0.705936 4.352086 3.752831 4.417654 1.356096 0.370853 \n", + " 55 0.370853 -2.324843 1.381317 1.188245 -0.464690 0.786167 -1.031053 \n", + " 56 -1.031053 -1.689765 -1.325555 -2.195983 -4.002159 0.347821 -0.764412 \n", + " 57 -0.764412 0.797326 -4.319571 -3.386548 -4.247981 0.292304 -1.086714 \n", + " 58 -1.086714 4.776283 -2.332443 -2.489155 -2.202156 -0.356559 -0.124727 \n", + " 59 -0.124727 3.548468 0.525876 1.244570 1.274732 -0.416665 1.670596 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.279692 0.786687 -0.420632 1.119058 -0.940237 \n", + " 3 0.592250 0.753954 -1.399072 1.303383 -1.003872 \n", + " 4 -0.206589 -1.863412 -1.084334 0.823669 -2.318723 \n", + " 5 0.362146 -4.188005 0.218386 -0.160193 -0.493740 \n", + " 6 1.179544 -0.899674 -0.478227 -1.697157 -0.586380 \n", + " 7 0.604156 1.544335 -0.893085 -1.054102 0.482247 \n", + " 8 -0.948512 1.925015 -0.876863 -0.649525 -0.543929 \n", + " 9 -0.435892 0.917200 -0.322423 0.846942 -0.614335 \n", + " 10 0.310080 -0.559660 -0.722863 0.870797 -0.421355 \n", + " 11 1.666332 -1.952640 0.144167 1.454393 0.620418 \n", + " 12 1.712183 -2.017011 -0.462776 0.922048 1.422826 \n", + " 13 -1.619299 -0.402705 -0.864877 0.626590 0.573559 \n", + " 14 -1.964751 3.215743 0.652286 -0.698703 0.983745 \n", + " 15 -1.043173 3.303242 1.892438 -0.392165 1.959949 \n", + " 16 1.366690 1.806685 0.537361 -0.663663 0.365948 \n", + " 17 3.917896 0.204939 -0.237478 -1.612678 -2.617322 \n", + " 18 2.971521 -1.937362 -1.110111 -0.648242 -5.234922 \n", + " 19 -0.878132 -2.592058 1.355370 1.897755 -4.076812 \n", + " 20 -1.182677 -1.001999 0.525892 2.325570 0.297279 \n", + " 21 -3.252722 1.846660 -1.172722 2.942914 3.624056 \n", + " 22 1.174717 4.379161 -0.345409 2.458086 3.818184 \n", + " 23 2.247795 2.714474 -1.126631 -0.407101 1.266261 \n", + " 24 2.015922 -1.988133 0.070230 -2.895631 -1.260718 \n", + " 25 0.040155 -5.371255 0.999040 -3.743910 -1.328824 \n", + " 26 -4.352793 -6.262370 1.545516 -2.682200 -0.891996 \n", + " 27 -5.271961 -2.538321 0.670198 -1.158738 -0.052345 \n", + " 28 -3.784723 3.662490 1.211886 2.395341 1.363250 \n", + " 29 1.439743 4.610926 -0.211768 0.886343 -0.044033 \n", + " 30 5.850003 3.521308 -2.137057 1.868113 1.550056 \n", + " 31 6.333669 -0.115289 -0.850551 1.202907 -0.006278 \n", + " 32 1.065255 -1.281616 0.093622 1.386926 0.537589 \n", + " 33 -5.105597 -2.855645 -0.233438 0.211221 -3.202369 \n", + " 34 -6.522691 -4.217502 -0.189525 -1.782493 -3.713565 \n", + " 35 -3.385014 -1.535661 -0.473167 -0.709294 -2.407378 \n", + " 36 0.561707 -0.087964 1.648577 -0.337090 0.243640 \n", + " 37 2.443421 3.617485 1.804028 2.529868 3.232696 \n", + " 38 3.248722 4.320485 0.669525 2.204730 3.062716 \n", + " 39 -0.857444 2.990080 -2.292345 0.819584 -1.267134 \n", + " 40 -2.459495 -1.869073 -2.895470 -1.621816 -3.870099 \n", + " 41 -2.920027 -3.720368 -1.069367 -2.554158 -2.992091 \n", + " 42 -1.094934 -3.667740 0.219746 -1.479152 -3.511843 \n", + " 43 0.093415 -0.251302 2.640145 -0.103501 -1.054451 \n", + " 44 -1.334311 0.512502 3.176904 0.943866 1.600837 \n", + " 45 -1.726206 2.455302 2.152744 0.655889 1.479804 \n", + " 46 -0.356541 3.248353 -0.589589 -0.222225 0.799858 \n", + " 47 -0.224461 1.659231 -1.448271 0.061054 -1.409323 \n", + " 48 -0.871551 -1.781328 -1.526381 -3.142034 -2.786962 \n", + " 49 -0.725514 -1.644055 -2.182444 -3.655033 -2.646716 \n", + " 50 -0.550598 -1.332974 -2.591792 0.084960 0.656416 \n", + " 51 1.780171 1.925241 0.538080 3.522184 2.605465 \n", + " 52 1.430839 3.934221 2.149107 5.812846 3.603049 \n", + " 53 -0.705936 4.352086 3.752831 4.417654 1.356096 \n", + " 54 -2.324843 1.381317 1.188245 -0.464690 0.786167 \n", + " 55 -1.689765 -1.325555 -2.195983 -4.002159 0.347821 \n", + " 56 0.797326 -4.319571 -3.386548 -4.247981 0.292304 \n", + " 57 4.776283 -2.332443 -2.489155 -2.202156 -0.356559 \n", + " 58 3.548468 0.525876 1.244570 1.274732 -0.416665 \n", + " 59 0.616349 4.417277 3.862959 3.691000 -0.454728 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.868416 \n", + " 3 0.868416 1.321093 1.727641 -0.262541 2.105194 -1.067591 -0.155233 \n", + " 4 -0.155233 1.482346 0.965927 -0.916428 0.931473 0.842719 -2.393763 \n", + " 5 -2.393763 1.067941 -0.048495 -0.010817 -0.143972 0.418030 -2.060748 \n", + " 6 -2.060748 2.089087 -0.697960 0.984295 -2.345255 0.468482 -0.632625 \n", + " 7 -0.632625 0.227086 -2.162293 0.389671 -1.552563 -1.226870 -0.371507 \n", + " 8 -0.371507 -1.098497 -1.151150 -0.700145 -0.539726 -2.238267 1.168264 \n", + " 9 1.168264 -1.526555 1.082787 -0.778940 0.394836 -1.785657 0.786246 \n", + " 10 0.786246 -0.654213 1.443750 -1.073907 1.844021 0.375883 -0.751830 \n", + " 11 -0.751830 0.194191 0.916816 0.450944 1.414008 3.373255 -1.104196 \n", + " 12 -1.104196 1.197185 0.603237 0.795686 -1.470411 3.615386 -2.074345 \n", + " 13 -2.074345 0.958241 -1.110277 0.881413 -3.997199 2.171350 -0.832631 \n", + " 14 -0.832631 -0.003952 -1.256300 0.704125 -2.909593 -1.180725 2.349666 \n", + " 15 2.349666 0.155400 -0.018647 -0.149649 0.123290 -4.759832 3.402154 \n", + " 16 3.402154 0.143451 -0.127479 -2.522173 2.628852 -4.827338 3.403214 \n", + " 17 3.403214 0.139928 -0.528014 -0.112141 2.508572 0.521860 2.127522 \n", + " 18 2.127522 1.240379 -0.237082 0.163394 1.190996 3.379988 -2.012624 \n", + " 19 -2.012624 1.372927 0.443051 1.741814 -2.159682 2.515637 -3.295713 \n", + " 20 -3.295713 1.593682 1.953121 -0.091336 -4.250879 -2.018191 -2.644823 \n", + " 21 -2.644823 -0.462299 1.612431 -0.991727 -4.084084 -2.421688 -0.060817 \n", + " 22 -0.060817 -2.511828 0.094559 1.421580 -0.839424 -0.911525 2.141486 \n", + " 23 2.141486 -2.086096 0.325699 1.204851 0.920848 1.835353 1.503031 \n", + " 24 1.503031 -1.582481 -0.719193 1.597221 1.540709 2.795088 -1.843673 \n", + " 25 -1.843673 -0.803067 3.239874 0.429574 -0.606268 1.339409 -3.429154 \n", + " 26 -3.429154 1.636475 1.361791 -0.768381 -0.289290 -1.133015 -1.912875 \n", + " 27 -1.912875 2.102947 2.671617 -0.037192 0.951203 -1.826617 -0.883209 \n", + " 28 -0.883209 0.447536 -1.442157 0.736366 -0.071568 -1.045533 0.873867 \n", + " 29 0.873867 0.873983 -1.436802 2.761834 1.529954 -0.598560 2.771858 \n", + " 30 2.771858 1.904530 -0.824966 2.119248 -1.423261 -0.024394 2.899437 \n", + " 31 2.899437 3.012867 2.337418 -0.260336 -1.284845 0.333319 1.818066 \n", + " 32 1.818066 2.794222 2.519744 -2.215461 -0.818225 -0.501021 -0.553388 \n", + " 33 -0.553388 0.257664 3.140468 -1.129238 -0.195817 0.187708 -0.750108 \n", + " 34 -0.750108 -0.830098 0.616830 -0.152958 1.327891 -0.924132 -0.338196 \n", + " 35 -0.338196 -1.484782 -0.197615 0.957385 1.569100 -0.902378 -0.151879 \n", + " 36 -0.151879 -0.424161 -1.158824 2.058933 0.967919 0.409829 1.430388 \n", + " 37 1.430388 0.227661 -2.782146 2.144666 -1.321250 1.921307 1.213964 \n", + " 38 1.213964 0.494168 -1.124484 0.832788 -2.013194 1.643368 0.178952 \n", + " 39 0.178952 1.799705 -0.447661 -1.492533 -1.780594 -1.367405 0.072707 \n", + " 40 0.072707 3.427588 1.056140 -1.309706 0.823535 -1.729318 0.449724 \n", + " 41 0.449724 1.668969 -0.824488 -0.601704 1.378308 -1.376493 -0.404913 \n", + " 42 -0.404913 -0.722896 -1.644954 1.777326 0.680209 -0.604676 0.609184 \n", + " 43 0.609184 -3.529111 -2.169586 2.101842 0.301781 0.440588 -0.454187 \n", + " 44 -0.454187 -3.849659 0.114429 0.458982 -0.903334 0.040719 -0.616899 \n", + " 45 -0.616899 -0.283020 2.299979 -0.925746 -0.583118 -1.164491 0.235143 \n", + " 46 0.235143 2.025275 1.321730 -2.491641 -2.661143 -0.056811 0.347094 \n", + " 47 0.347094 2.433562 -0.319701 -0.395380 -1.181889 1.094302 2.178857 \n", + " 48 2.178857 0.019538 -2.314808 1.173450 0.430581 2.915304 2.483478 \n", + " 49 2.483478 -0.926507 -3.244936 3.410719 -0.230252 2.858202 1.890463 \n", + " 50 1.890463 -1.285173 -0.553471 1.317462 -0.179179 0.563778 -1.569718 \n", + " 51 -1.569718 -1.786158 0.753662 -0.572367 0.016908 0.141306 -1.352876 \n", + " 52 -1.352876 -1.001572 2.707536 -1.557699 2.044801 -1.879017 -0.212683 \n", + " 53 -0.212683 -1.478809 3.528430 -0.782040 2.231826 -2.798661 0.395327 \n", + " 54 0.395327 -1.220788 1.724532 0.068774 0.708304 -2.006263 -1.163963 \n", + " 55 -1.163963 -0.383659 -2.814762 0.462956 -2.526851 0.133583 1.275068 \n", + " 56 1.275068 1.649826 -3.204494 1.843917 -2.172719 1.910066 0.436557 \n", + " 57 0.436557 1.094148 -3.362474 1.512505 -0.090649 3.049729 0.113467 \n", + " 58 0.113467 0.880315 -1.479724 0.352929 2.657158 1.373467 -0.883894 \n", + " 59 -0.883894 0.654878 1.293089 -0.796823 3.585384 0.402906 -0.017873 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 1.321093 1.727641 -0.262541 2.105194 -1.067591 \n", + " 3 1.482346 0.965927 -0.916428 0.931473 0.842719 \n", + " 4 1.067941 -0.048495 -0.010817 -0.143972 0.418030 \n", + " 5 2.089087 -0.697960 0.984295 -2.345255 0.468482 \n", + " 6 0.227086 -2.162293 0.389671 -1.552563 -1.226870 \n", + " 7 -1.098497 -1.151150 -0.700145 -0.539726 -2.238267 \n", + " 8 -1.526555 1.082787 -0.778940 0.394836 -1.785657 \n", + " 9 -0.654213 1.443750 -1.073907 1.844021 0.375883 \n", + " 10 0.194191 0.916816 0.450944 1.414008 3.373255 \n", + " 11 1.197185 0.603237 0.795686 -1.470411 3.615386 \n", + " 12 0.958241 -1.110277 0.881413 -3.997199 2.171350 \n", + " 13 -0.003952 -1.256300 0.704125 -2.909593 -1.180725 \n", + " 14 0.155400 -0.018647 -0.149649 0.123290 -4.759832 \n", + " 15 0.143451 -0.127479 -2.522173 2.628852 -4.827338 \n", + " 16 0.139928 -0.528014 -0.112141 2.508572 0.521860 \n", + " 17 1.240379 -0.237082 0.163394 1.190996 3.379988 \n", + " 18 1.372927 0.443051 1.741814 -2.159682 2.515637 \n", + " 19 1.593682 1.953121 -0.091336 -4.250879 -2.018191 \n", + " 20 -0.462299 1.612431 -0.991727 -4.084084 -2.421688 \n", + " 21 -2.511828 0.094559 1.421580 -0.839424 -0.911525 \n", + " 22 -2.086096 0.325699 1.204851 0.920848 1.835353 \n", + " 23 -1.582481 -0.719193 1.597221 1.540709 2.795088 \n", + " 24 -0.803067 3.239874 0.429574 -0.606268 1.339409 \n", + " 25 1.636475 1.361791 -0.768381 -0.289290 -1.133015 \n", + " 26 2.102947 2.671617 -0.037192 0.951203 -1.826617 \n", + " 27 0.447536 -1.442157 0.736366 -0.071568 -1.045533 \n", + " 28 0.873983 -1.436802 2.761834 1.529954 -0.598560 \n", + " 29 1.904530 -0.824966 2.119248 -1.423261 -0.024394 \n", + " 30 3.012867 2.337418 -0.260336 -1.284845 0.333319 \n", + " 31 2.794222 2.519744 -2.215461 -0.818225 -0.501021 \n", + " 32 0.257664 3.140468 -1.129238 -0.195817 0.187708 \n", + " 33 -0.830098 0.616830 -0.152958 1.327891 -0.924132 \n", + " 34 -1.484782 -0.197615 0.957385 1.569100 -0.902378 \n", + " 35 -0.424161 -1.158824 2.058933 0.967919 0.409829 \n", + " 36 0.227661 -2.782146 2.144666 -1.321250 1.921307 \n", + " 37 0.494168 -1.124484 0.832788 -2.013194 1.643368 \n", + " 38 1.799705 -0.447661 -1.492533 -1.780594 -1.367405 \n", + " 39 3.427588 1.056140 -1.309706 0.823535 -1.729318 \n", + " 40 1.668969 -0.824488 -0.601704 1.378308 -1.376493 \n", + " 41 -0.722896 -1.644954 1.777326 0.680209 -0.604676 \n", + " 42 -3.529111 -2.169586 2.101842 0.301781 0.440588 \n", + " 43 -3.849659 0.114429 0.458982 -0.903334 0.040719 \n", + " 44 -0.283020 2.299979 -0.925746 -0.583118 -1.164491 \n", + " 45 2.025275 1.321730 -2.491641 -2.661143 -0.056811 \n", + " 46 2.433562 -0.319701 -0.395380 -1.181889 1.094302 \n", + " 47 0.019538 -2.314808 1.173450 0.430581 2.915304 \n", + " 48 -0.926507 -3.244936 3.410719 -0.230252 2.858202 \n", + " 49 -1.285173 -0.553471 1.317462 -0.179179 0.563778 \n", + " 50 -1.786158 0.753662 -0.572367 0.016908 0.141306 \n", + " 51 -1.001572 2.707536 -1.557699 2.044801 -1.879017 \n", + " 52 -1.478809 3.528430 -0.782040 2.231826 -2.798661 \n", + " 53 -1.220788 1.724532 0.068774 0.708304 -2.006263 \n", + " 54 -0.383659 -2.814762 0.462956 -2.526851 0.133583 \n", + " 55 1.649826 -3.204494 1.843917 -2.172719 1.910066 \n", + " 56 1.094148 -3.362474 1.512505 -0.090649 3.049729 \n", + " 57 0.880315 -1.479724 0.352929 2.657158 1.373467 \n", + " 58 0.654878 1.293089 -0.796823 3.585384 0.402906 \n", + " 59 0.998343 2.111248 -1.558481 2.200494 -1.872177 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.116205 \n", + " 3 1.116205 -0.585625 -0.651541 0.927191 0.351492 1.355950 -0.120295 \n", + " 4 -0.120295 -2.466730 -0.413913 -0.309549 -0.063760 -1.066544 0.727889 \n", + " 5 0.727889 -2.102417 -1.757160 -1.935884 -0.795233 -0.713505 -0.802338 \n", + " 6 -0.802338 -1.286759 -0.190359 -1.637917 0.646708 -1.108992 -2.905418 \n", + " 7 -2.905418 0.991350 0.396223 -1.556540 -0.439191 1.007685 -3.178178 \n", + " 8 -3.178178 2.263202 -0.606901 0.015538 -0.104431 -0.581372 -1.166735 \n", + " 9 -1.166735 1.614967 0.710702 0.048411 0.239028 1.367029 0.381899 \n", + " 10 0.381899 0.383630 0.007290 1.361428 1.612603 0.569687 2.260950 \n", + " 11 2.260950 -2.165064 1.402680 -0.100576 2.262224 0.759479 3.162103 \n", + " 12 3.162103 -2.818846 -0.347506 0.511667 1.192568 -0.764180 0.577693 \n", + " 13 0.577693 -1.993171 -1.022234 0.506723 -1.564632 0.282353 -1.151302 \n", + " 14 -1.151302 0.589244 1.349701 -0.207062 -3.481754 0.046102 0.282784 \n", + " 15 0.282784 4.369572 1.959130 -0.515390 -2.391487 -1.584574 -1.339735 \n", + " 16 -1.339735 2.515476 0.854793 -1.722235 -0.636202 -2.029523 -1.266215 \n", + " 17 -1.266215 -2.244856 -1.439863 -0.141368 2.304388 -1.103860 -0.463105 \n", + " 18 -0.463105 -5.625679 -3.331247 -1.614359 3.239369 0.070085 -0.424107 \n", + " 19 -0.424107 -4.617854 -2.463417 -0.592131 2.681225 1.347117 0.931446 \n", + " 20 0.931446 0.255947 0.551848 2.622595 -0.412654 1.381318 1.413759 \n", + " 21 1.413759 1.975776 5.160218 2.189867 -1.691719 1.245141 1.102276 \n", + " 22 1.102276 4.687078 5.010940 1.924222 -1.465098 0.976828 0.419959 \n", + " 23 0.419959 1.989310 3.684043 -0.212866 -0.948673 -1.085678 -1.330310 \n", + " 24 -1.330310 0.462894 -0.667066 -0.843863 -0.307654 -1.663625 -1.646142 \n", + " 25 -1.646142 -1.112266 -2.309587 0.153475 0.822588 -3.152228 -1.389874 \n", + " 26 -1.389874 -1.796384 -4.147028 0.496938 0.618613 -1.560787 -0.558672 \n", + " 27 -0.558672 -1.245364 -0.465178 1.449101 1.544318 -0.280403 0.460108 \n", + " 28 0.460108 1.652548 1.313114 2.192110 -0.390528 2.299420 0.432541 \n", + " 29 0.432541 1.842031 5.415393 0.547737 -2.127156 2.310064 -1.204965 \n", + " 30 -1.204965 1.879933 3.696211 -1.908744 -2.572626 0.705773 0.462987 \n", + " 31 0.462987 -1.577610 0.092693 -2.875769 -2.349430 -1.959106 1.130348 \n", + " 32 1.130348 -1.128772 -4.434922 -1.319775 -1.789925 -1.848460 -0.544475 \n", + " 33 -0.544475 -1.954904 -4.163133 1.166742 0.242686 -0.050907 -0.065379 \n", + " 34 -0.065379 0.290437 -2.382655 1.986740 2.102769 1.439065 -0.330474 \n", + " 35 -0.330474 1.592562 0.047350 2.230137 0.770844 3.615939 0.098606 \n", + " 36 0.098606 2.443227 3.103779 -0.961233 0.277917 2.404025 -0.570677 \n", + " 37 -0.570677 2.011592 3.312563 -1.555856 -2.142779 0.730975 0.142442 \n", + " 38 0.142442 -0.678993 0.775157 -0.628137 -0.802319 -2.433800 2.185285 \n", + " 39 2.185285 -1.918580 -2.508532 -0.123579 -1.059532 -5.318375 1.651606 \n", + " 40 1.651606 -2.134386 -4.283509 2.208554 0.777933 -2.171808 1.560538 \n", + " 41 1.560538 -2.016096 -2.339398 1.849733 0.044917 1.233967 -0.956519 \n", + " 42 -0.956519 1.163318 -1.103976 1.963738 1.093038 3.140406 0.927841 \n", + " 43 0.927841 3.535280 1.025741 -0.646987 0.249802 3.875335 0.500084 \n", + " 44 0.500084 2.345230 2.083583 -1.681355 1.090317 2.651768 0.939768 \n", + " 45 0.939768 -0.057454 2.450753 -1.921881 -0.765700 -2.910202 -1.126640 \n", + " 46 -1.126640 -1.392520 1.311628 -1.148454 -1.182070 -5.829534 -1.132419 \n", + " 47 -1.132419 -1.363820 -0.307806 0.121440 -0.007680 -5.180798 -0.981878 \n", + " 48 -0.981878 -1.159695 -1.284926 1.607384 1.285612 0.078910 0.015810 \n", + " 49 0.015810 -0.361758 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1.500000 1.500000 1.500000 \n", + " 2 -0.585625 -0.651541 0.927191 0.351492 1.355950 \n", + " 3 -2.466730 -0.413913 -0.309549 -0.063760 -1.066544 \n", + " 4 -2.102417 -1.757160 -1.935884 -0.795233 -0.713505 \n", + " 5 -1.286759 -0.190359 -1.637917 0.646708 -1.108992 \n", + " 6 0.991350 0.396223 -1.556540 -0.439191 1.007685 \n", + " 7 2.263202 -0.606901 0.015538 -0.104431 -0.581372 \n", + " 8 1.614967 0.710702 0.048411 0.239028 1.367029 \n", + " 9 0.383630 0.007290 1.361428 1.612603 0.569687 \n", + " 10 -2.165064 1.402680 -0.100576 2.262224 0.759479 \n", + " 11 -2.818846 -0.347506 0.511667 1.192568 -0.764180 \n", + " 12 -1.993171 -1.022234 0.506723 -1.564632 0.282353 \n", + " 13 0.589244 1.349701 -0.207062 -3.481754 0.046102 \n", + " 14 4.369572 1.959130 -0.515390 -2.391487 -1.584574 \n", + " 15 2.515476 0.854793 -1.722235 -0.636202 -2.029523 \n", + " 16 -2.244856 -1.439863 -0.141368 2.304388 -1.103860 \n", + " 17 -5.625679 -3.331247 -1.614359 3.239369 0.070085 \n", + " 18 -4.617854 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2.443227 3.103779 -0.961233 0.277917 2.404025 \n", + " 36 2.011592 3.312563 -1.555856 -2.142779 0.730975 \n", + " 37 -0.678993 0.775157 -0.628137 -0.802319 -2.433800 \n", + " 38 -1.918580 -2.508532 -0.123579 -1.059532 -5.318375 \n", + " 39 -2.134386 -4.283509 2.208554 0.777933 -2.171808 \n", + " 40 -2.016096 -2.339398 1.849733 0.044917 1.233967 \n", + " 41 1.163318 -1.103976 1.963738 1.093038 3.140406 \n", + " 42 3.535280 1.025741 -0.646987 0.249802 3.875335 \n", + " 43 2.345230 2.083583 -1.681355 1.090317 2.651768 \n", + " 44 -0.057454 2.450753 -1.921881 -0.765700 -2.910202 \n", + " 45 -1.392520 1.311628 -1.148454 -1.182070 -5.829534 \n", + " 46 -1.363820 -0.307806 0.121440 -0.007680 -5.180798 \n", + " 47 -1.159695 -1.284926 1.607384 1.285612 0.078910 \n", + " 48 -0.361758 -1.092523 1.107645 0.179051 3.510551 \n", + " 49 1.234876 0.184001 0.243490 -1.584633 4.821866 \n", + " 50 3.879302 1.046822 -1.538397 -3.747216 1.909304 \n", + " 51 2.755351 0.729327 -0.620157 -1.698644 -2.625865 \n", + " 52 1.637537 0.047079 0.537089 -0.125021 -5.229059 \n", + " 53 -2.422000 -0.349468 1.854862 1.038610 -2.052543 \n", + " 54 -3.725617 -1.200303 0.705486 1.353693 1.055182 \n", + " 55 -1.050080 -1.351674 -1.046671 -0.182755 3.953836 \n", + " 56 2.028062 0.452911 -0.872480 -0.535840 2.372050 \n", + " 57 2.726155 0.458115 -0.887347 -0.208348 -0.780662 \n", + " 58 1.738955 1.102767 1.475758 0.020138 -2.697545 \n", + " 59 -0.042790 1.147040 0.660839 0.086087 -3.001265 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.887539 \n", + " 3 1.887539 0.828004 -1.211351 0.979353 0.234471 0.396440 0.982264 \n", + " 4 0.982264 0.357972 -3.223626 0.270672 -2.217138 -0.061212 -0.480594 \n", + " 5 -0.480594 0.837672 -3.193108 -0.666256 -2.486409 -0.356141 -0.419123 \n", + " 6 -0.419123 0.619616 0.076935 -0.222990 -1.329024 -0.156050 -0.262813 \n", + " 7 -0.262813 0.933983 1.350147 -0.163785 1.146033 -0.499985 0.015912 \n", + " 8 0.015912 0.105304 -0.069449 0.350606 1.026978 -0.017482 0.976538 \n", + " 9 0.976538 -1.376102 -0.657553 -0.358478 0.612138 0.556489 -0.245117 \n", + " 10 -0.245117 -1.912776 -1.398009 2.777055 0.470992 -0.835056 0.068967 \n", + " 11 0.068967 -2.667254 -0.623760 1.499518 -0.533611 -0.870066 1.532904 \n", + " 12 1.532904 -1.730776 0.258348 0.401152 -1.537462 -0.947702 1.210735 \n", + " 13 1.210735 1.957878 3.052908 -2.694918 0.035917 0.536005 0.086846 \n", + " 14 0.086846 4.192227 4.485813 -2.923895 0.533290 0.522564 -1.468997 \n", + " 15 -1.468997 2.904548 2.708724 0.052018 1.338634 1.293101 -2.580610 \n", + " 16 -2.580610 1.095849 -1.253447 2.434344 1.472001 1.369350 -2.342136 \n", + " 17 -2.342136 -1.460090 -3.679514 0.307312 0.544483 -2.444222 -0.914291 \n", + " 18 -0.914291 -2.543889 -1.692203 0.024610 0.555303 -2.872289 1.293053 \n", + " 19 1.293053 -3.612237 2.598470 -1.081511 -2.525992 -2.151999 2.691952 \n", + " 20 2.691952 -1.822356 4.789610 -1.057425 -2.492103 1.377938 1.147556 \n", + " 21 1.147556 0.616745 3.228515 -0.265247 -0.369796 1.112634 -1.577104 \n", + " 22 -1.577104 2.993611 -0.012294 0.879651 2.733481 2.501440 -3.146918 \n", + " 23 -3.146918 3.335085 -3.981763 1.075896 3.823840 0.160322 -0.770976 \n", + " 24 -0.770976 2.247185 -3.410538 0.290224 0.404196 -1.235817 2.326925 \n", + " 25 2.326925 -0.294935 -0.942615 -1.204198 -2.342754 -1.532772 5.450820 \n", + " 26 5.450820 -3.493202 0.787396 -1.003759 -3.330566 0.289869 2.403482 \n", + " 27 2.403482 -3.284273 1.858601 -0.458022 -1.493170 0.565517 0.883759 \n", + " 28 0.883759 -0.734660 0.344543 1.452443 -0.891782 1.373013 -0.084531 \n", + " 29 -0.084531 1.709846 -1.100961 2.373892 0.237609 -0.157046 -0.257698 \n", + " 30 -0.257698 2.811452 -2.459800 1.826824 1.427396 -0.432697 -0.595984 \n", + " 31 -0.595984 1.190729 -2.870284 -1.398411 1.584561 -2.364580 -0.211513 \n", + " 32 -0.211513 -1.311356 -2.285681 -1.806526 0.160432 -1.990357 0.351281 \n", + " 33 0.351281 -1.358347 0.594933 -1.557698 -0.275963 -0.279830 -0.408940 \n", + " 34 -0.408940 -0.825809 3.253288 -1.470560 -0.597146 0.329373 -0.980441 \n", + " 35 -0.980441 -0.870141 1.309740 2.241835 0.520294 0.919535 0.559853 \n", + " 36 0.559853 -0.610262 -1.023373 3.749274 0.838034 0.901490 2.200834 \n", + " 37 2.200834 -0.744703 -2.691433 0.518638 0.795279 -0.798712 0.932971 \n", + " 38 0.932971 -0.221151 -2.175975 -3.110737 -2.078318 -0.832937 -0.615586 \n", + " 39 -0.615586 -0.910873 1.050625 -3.509187 -0.657294 -2.161540 -1.754324 \n", + " 40 -1.754324 1.171308 2.007227 -2.683830 -1.461873 -3.102210 -2.282545 \n", + " 41 -2.282545 -0.057196 3.872202 -0.133544 -0.265368 -0.814969 0.239826 \n", + " 42 0.239826 1.507615 2.029408 1.215461 0.898728 2.545752 0.546980 \n", + " 43 0.546980 1.244836 0.858786 2.846143 0.688299 2.774339 0.790365 \n", + " 44 0.790365 2.528271 -1.975276 0.158981 -1.307157 -0.708032 1.122831 \n", + " 45 1.122831 0.681326 -1.211016 -0.599276 -1.959789 -3.263615 0.346465 \n", + " 46 0.346465 1.192877 -0.366503 -2.748591 -0.560406 -2.071957 0.174470 \n", + " 47 0.174470 -1.242134 -0.065756 -0.791349 1.897004 -1.236261 0.857519 \n", + " 48 0.857519 -1.515245 0.566508 -0.082597 2.080731 3.355853 -0.008891 \n", + " 49 -0.008891 -2.047206 0.149180 2.126017 1.595701 5.013910 0.016847 \n", + " 50 0.016847 -0.690617 -0.350005 3.390588 0.618807 2.481275 0.834221 \n", + " 51 0.834221 0.169412 -0.296091 0.150605 -2.447624 -2.458940 -1.053420 \n", + " 52 -1.053420 0.960765 1.429181 0.420657 -3.540707 -4.364681 -0.437403 \n", + " 53 -0.437403 -0.295707 1.281966 -0.854904 -1.587393 -4.272998 -0.020325 \n", + " 54 -0.020325 -0.195871 1.113605 0.402654 2.046538 -0.759788 -1.998087 \n", + " 55 -1.998087 -0.978876 0.910474 0.594930 3.394784 3.353344 -1.957254 \n", + " 56 -1.957254 -2.809278 1.551618 -0.572012 2.520460 4.923684 0.150961 \n", + " 57 0.150961 -2.940518 0.876980 -0.636990 0.312410 1.944864 2.406103 \n", + " 58 2.406103 -1.032221 -1.363667 -0.967603 -0.657497 0.236358 1.555457 \n", + " 59 1.555457 1.202744 -1.154148 -0.756086 -1.044460 -3.335433 -0.872374 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.828004 -1.211351 0.979353 0.234471 0.396440 \n", + " 3 0.357972 -3.223626 0.270672 -2.217138 -0.061212 \n", + " 4 0.837672 -3.193108 -0.666256 -2.486409 -0.356141 \n", + " 5 0.619616 0.076935 -0.222990 -1.329024 -0.156050 \n", + " 6 0.933983 1.350147 -0.163785 1.146033 -0.499985 \n", + " 7 0.105304 -0.069449 0.350606 1.026978 -0.017482 \n", + " 8 -1.376102 -0.657553 -0.358478 0.612138 0.556489 \n", + " 9 -1.912776 -1.398009 2.777055 0.470992 -0.835056 \n", + " 10 -2.667254 -0.623760 1.499518 -0.533611 -0.870066 \n", + " 11 -1.730776 0.258348 0.401152 -1.537462 -0.947702 \n", + " 12 1.957878 3.052908 -2.694918 0.035917 0.536005 \n", + " 13 4.192227 4.485813 -2.923895 0.533290 0.522564 \n", + " 14 2.904548 2.708724 0.052018 1.338634 1.293101 \n", + " 15 1.095849 -1.253447 2.434344 1.472001 1.369350 \n", + " 16 -1.460090 -3.679514 0.307312 0.544483 -2.444222 \n", + " 17 -2.543889 -1.692203 0.024610 0.555303 -2.872289 \n", + " 18 -3.612237 2.598470 -1.081511 -2.525992 -2.151999 \n", + " 19 -1.822356 4.789610 -1.057425 -2.492103 1.377938 \n", + " 20 0.616745 3.228515 -0.265247 -0.369796 1.112634 \n", + " 21 2.993611 -0.012294 0.879651 2.733481 2.501440 \n", + " 22 3.335085 -3.981763 1.075896 3.823840 0.160322 \n", + " 23 2.247185 -3.410538 0.290224 0.404196 -1.235817 \n", + " 24 -0.294935 -0.942615 -1.204198 -2.342754 -1.532772 \n", + " 25 -3.493202 0.787396 -1.003759 -3.330566 0.289869 \n", + " 26 -3.284273 1.858601 -0.458022 -1.493170 0.565517 \n", + " 27 -0.734660 0.344543 1.452443 -0.891782 1.373013 \n", + " 28 1.709846 -1.100961 2.373892 0.237609 -0.157046 \n", + " 29 2.811452 -2.459800 1.826824 1.427396 -0.432697 \n", + " 30 1.190729 -2.870284 -1.398411 1.584561 -2.364580 \n", + " 31 -1.311356 -2.285681 -1.806526 0.160432 -1.990357 \n", + " 32 -1.358347 0.594933 -1.557698 -0.275963 -0.279830 \n", + " 33 -0.825809 3.253288 -1.470560 -0.597146 0.329373 \n", + " 34 -0.870141 1.309740 2.241835 0.520294 0.919535 \n", + " 35 -0.610262 -1.023373 3.749274 0.838034 0.901490 \n", + " 36 -0.744703 -2.691433 0.518638 0.795279 -0.798712 \n", + " 37 -0.221151 -2.175975 -3.110737 -2.078318 -0.832937 \n", + " 38 -0.910873 1.050625 -3.509187 -0.657294 -2.161540 \n", + " 39 1.171308 2.007227 -2.683830 -1.461873 -3.102210 \n", + " 40 -0.057196 3.872202 -0.133544 -0.265368 -0.814969 \n", + " 41 1.507615 2.029408 1.215461 0.898728 2.545752 \n", + " 42 1.244836 0.858786 2.846143 0.688299 2.774339 \n", + " 43 2.528271 -1.975276 0.158981 -1.307157 -0.708032 \n", + " 44 0.681326 -1.211016 -0.599276 -1.959789 -3.263615 \n", + " 45 1.192877 -0.366503 -2.748591 -0.560406 -2.071957 \n", + " 46 -1.242134 -0.065756 -0.791349 1.897004 -1.236261 \n", + " 47 -1.515245 0.566508 -0.082597 2.080731 3.355853 \n", + " 48 -2.047206 0.149180 2.126017 1.595701 5.013910 \n", + " 49 -0.690617 -0.350005 3.390588 0.618807 2.481275 \n", + " 50 0.169412 -0.296091 0.150605 -2.447624 -2.458940 \n", + " 51 0.960765 1.429181 0.420657 -3.540707 -4.364681 \n", + " 52 -0.295707 1.281966 -0.854904 -1.587393 -4.272998 \n", + " 53 -0.195871 1.113605 0.402654 2.046538 -0.759788 \n", + " 54 -0.978876 0.910474 0.594930 3.394784 3.353344 \n", + " 55 -2.809278 1.551618 -0.572012 2.520460 4.923684 \n", + " 56 -2.940518 0.876980 -0.636990 0.312410 1.944864 \n", + " 57 -1.032221 -1.363667 -0.967603 -0.657497 0.236358 \n", + " 58 1.202744 -1.154148 -0.756086 -1.044460 -3.335433 \n", + " 59 1.990135 0.297583 -1.066695 0.091423 -4.943615 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.197009 \n", + " 3 1.197009 1.779361 0.021960 -0.044624 0.214835 -1.607493 -0.180980 \n", + " 4 -0.180980 -0.620453 -0.813259 -0.680065 0.349371 -0.664669 -1.290166 \n", + " 5 -1.290166 -0.609287 1.001839 -3.630840 0.806594 -0.149219 -1.379859 \n", + " 6 -1.379859 -1.744891 2.218177 -1.821681 -0.179876 0.568841 0.082561 \n", + " 7 0.082561 -1.524624 1.169497 -0.069320 -1.446325 0.225652 1.573722 \n", + " 8 1.573722 1.351006 1.163755 1.840492 -2.892866 -0.256759 1.934695 \n", + " 9 1.934695 2.857057 -1.011746 0.848750 -2.246643 -1.164241 1.293546 \n", + " 10 1.293546 1.140161 -1.349805 -0.470894 1.440248 -0.886689 -0.446658 \n", + " 11 -0.446658 -0.978421 -1.181505 -2.257022 1.792813 -0.638492 -2.093984 \n", + " 12 -2.093984 -1.477406 -0.826629 -4.409630 -0.029222 2.418531 -1.168244 \n", + " 13 -1.168244 -2.560843 -0.947345 -2.653906 -1.109826 3.123519 0.124285 \n", + " 14 0.124285 -1.765233 -0.324886 0.387910 -2.446421 0.883685 1.737892 \n", + " 15 1.737892 1.501552 -0.487333 3.904343 -0.204878 -0.691241 -0.209979 \n", + " 16 -0.209979 1.605504 0.526293 7.031135 -0.210310 -1.708889 1.386761 \n", + " 17 1.386761 1.441932 0.495324 2.979709 2.194582 -1.358569 0.317254 \n", + " 18 0.317254 1.180005 2.117686 -2.726094 1.194330 0.448802 0.524638 \n", + " 19 0.524638 1.289943 0.040562 -5.625667 1.080415 1.942648 -0.474342 \n", + " 20 -0.474342 -1.107831 0.140114 -3.786878 0.035459 2.705663 -0.160875 \n", + " 21 -0.160875 -3.211338 -0.912856 -0.134637 -2.205062 2.321547 -0.411829 \n", + " 22 -0.411829 -2.699141 -0.086881 2.839253 -2.587339 -0.718198 -0.197879 \n", + " 23 -0.197879 1.626099 -1.298653 3.928912 -0.267763 -3.392999 0.234968 \n", + " 24 0.234968 2.225146 -0.450848 2.925394 1.563572 -2.955163 -1.088147 \n", + " 25 -1.088147 3.480901 0.790813 -0.379814 1.257906 -2.370293 0.642400 \n", + " 26 0.642400 0.237591 1.887676 -1.518023 -1.000331 1.183291 2.125414 \n", + " 27 2.125414 -4.039252 1.611523 -0.581996 -0.266119 1.759310 1.508007 \n", + " 28 1.508007 -4.673705 -1.179660 0.040835 -1.937017 1.977368 -0.025956 \n", + " 29 -0.025956 -1.504621 -1.620296 1.605568 -0.447837 0.172241 -0.152013 \n", + " 30 -0.152013 1.790220 -0.832939 1.099291 1.185291 -0.686784 0.830025 \n", + " 31 0.830025 4.280119 -0.021640 0.418814 0.745397 -1.082938 0.863881 \n", + " 32 0.863881 2.011199 0.103833 -0.076602 -0.190216 0.394013 2.267288 \n", + " 33 2.267288 -0.589109 2.504384 0.188644 -2.019803 -0.371594 1.683347 \n", + " 34 1.683347 -4.491737 1.035606 -2.392685 -2.435672 -1.376776 -0.256831 \n", + " 35 -0.256831 -4.984564 1.013362 0.068300 -0.367996 -1.519206 -1.991256 \n", + " 36 -1.991256 -2.098704 -0.241604 0.380458 2.286739 -1.000093 -3.335087 \n", + " 37 -3.335087 3.134711 -1.731882 -1.247300 3.746744 2.098413 -1.164669 \n", + " 38 -1.164669 5.600220 -1.161859 -2.215446 0.579363 3.022941 0.758406 \n", + " 39 0.758406 3.190993 -0.125954 -1.460756 -2.004477 2.358559 1.507391 \n", + " 40 1.507391 0.519929 0.877790 1.367260 -4.394447 0.604920 -0.677905 \n", + " 41 -0.677905 -3.297266 0.295210 2.319616 -3.348575 -2.011856 -0.016792 \n", + " 42 -0.016792 -4.712518 0.772888 2.716809 -1.862875 -2.655213 -1.370133 \n", + " 43 -1.370133 -1.866420 0.816213 2.881788 1.334642 -0.148999 -2.146073 \n", + " 44 -2.146073 0.967837 0.083085 1.330721 1.424308 0.685261 -1.480351 \n", + " 45 -1.480351 1.937242 -1.900620 -2.243222 1.836357 -0.171811 -1.030237 \n", + " 46 -1.030237 2.377607 -0.896493 -0.779666 -1.915065 -2.174003 1.119493 \n", + " 47 1.119493 -0.091167 0.362952 -0.263298 -2.520907 -1.837627 2.706213 \n", + " 48 2.706213 -1.351743 1.542164 -0.645522 -2.712501 -0.738632 1.602180 \n", + " 49 1.602180 -0.823846 1.713202 -0.381370 -0.312287 -0.915901 1.809686 \n", + " 50 1.809686 -1.270055 0.283716 -1.443489 1.261499 1.106987 -1.114180 \n", + " 51 -1.114180 -0.726763 -0.841199 -1.920196 0.076112 3.065888 -1.877618 \n", + " 52 -1.877618 1.500852 -2.622861 -2.722844 0.372366 1.742997 0.128254 \n", + " 53 0.128254 2.262112 0.200967 -1.681266 -0.101048 0.402313 1.249110 \n", + " 54 1.249110 1.060349 1.715205 1.845918 -0.235781 -3.306168 2.002820 \n", + " 55 2.002820 -0.291987 1.696364 3.676648 0.354993 -4.623794 2.140582 \n", + " 56 2.140582 -3.251702 -0.015805 2.850392 0.419113 -0.116155 0.055338 \n", + " 57 0.055338 -1.260636 -0.962917 -0.006017 0.771567 1.718137 -1.945521 \n", + " 58 -1.945521 0.998862 -0.391249 -2.142054 -0.631692 2.655036 -3.186095 \n", + " 59 -3.186095 3.198617 -2.015426 -0.209166 -2.748340 0.257170 -3.052695 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 1.779361 0.021960 -0.044624 0.214835 -1.607493 \n", + " 3 -0.620453 -0.813259 -0.680065 0.349371 -0.664669 \n", + " 4 -0.609287 1.001839 -3.630840 0.806594 -0.149219 \n", + " 5 -1.744891 2.218177 -1.821681 -0.179876 0.568841 \n", + " 6 -1.524624 1.169497 -0.069320 -1.446325 0.225652 \n", + " 7 1.351006 1.163755 1.840492 -2.892866 -0.256759 \n", + " 8 2.857057 -1.011746 0.848750 -2.246643 -1.164241 \n", + " 9 1.140161 -1.349805 -0.470894 1.440248 -0.886689 \n", + " 10 -0.978421 -1.181505 -2.257022 1.792813 -0.638492 \n", + " 11 -1.477406 -0.826629 -4.409630 -0.029222 2.418531 \n", + " 12 -2.560843 -0.947345 -2.653906 -1.109826 3.123519 \n", + " 13 -1.765233 -0.324886 0.387910 -2.446421 0.883685 \n", + " 14 1.501552 -0.487333 3.904343 -0.204878 -0.691241 \n", + " 15 1.605504 0.526293 7.031135 -0.210310 -1.708889 \n", + " 16 1.441932 0.495324 2.979709 2.194582 -1.358569 \n", + " 17 1.180005 2.117686 -2.726094 1.194330 0.448802 \n", + " 18 1.289943 0.040562 -5.625667 1.080415 1.942648 \n", + " 19 -1.107831 0.140114 -3.786878 0.035459 2.705663 \n", + " 20 -3.211338 -0.912856 -0.134637 -2.205062 2.321547 \n", + " 21 -2.699141 -0.086881 2.839253 -2.587339 -0.718198 \n", + " 22 1.626099 -1.298653 3.928912 -0.267763 -3.392999 \n", + " 23 2.225146 -0.450848 2.925394 1.563572 -2.955163 \n", + " 24 3.480901 0.790813 -0.379814 1.257906 -2.370293 \n", + " 25 0.237591 1.887676 -1.518023 -1.000331 1.183291 \n", + " 26 -4.039252 1.611523 -0.581996 -0.266119 1.759310 \n", + " 27 -4.673705 -1.179660 0.040835 -1.937017 1.977368 \n", + " 28 -1.504621 -1.620296 1.605568 -0.447837 0.172241 \n", + " 29 1.790220 -0.832939 1.099291 1.185291 -0.686784 \n", + " 30 4.280119 -0.021640 0.418814 0.745397 -1.082938 \n", + " 31 2.011199 0.103833 -0.076602 -0.190216 0.394013 \n", + " 32 -0.589109 2.504384 0.188644 -2.019803 -0.371594 \n", + " 33 -4.491737 1.035606 -2.392685 -2.435672 -1.376776 \n", + " 34 -4.984564 1.013362 0.068300 -0.367996 -1.519206 \n", + " 35 -2.098704 -0.241604 0.380458 2.286739 -1.000093 \n", + " 36 3.134711 -1.731882 -1.247300 3.746744 2.098413 \n", + " 37 5.600220 -1.161859 -2.215446 0.579363 3.022941 \n", + " 38 3.190993 -0.125954 -1.460756 -2.004477 2.358559 \n", + " 39 0.519929 0.877790 1.367260 -4.394447 0.604920 \n", + " 40 -3.297266 0.295210 2.319616 -3.348575 -2.011856 \n", + " 41 -4.712518 0.772888 2.716809 -1.862875 -2.655213 \n", + " 42 -1.866420 0.816213 2.881788 1.334642 -0.148999 \n", + " 43 0.967837 0.083085 1.330721 1.424308 0.685261 \n", + " 44 1.937242 -1.900620 -2.243222 1.836357 -0.171811 \n", + " 45 2.377607 -0.896493 -0.779666 -1.915065 -2.174003 \n", + " 46 -0.091167 0.362952 -0.263298 -2.520907 -1.837627 \n", + " 47 -1.351743 1.542164 -0.645522 -2.712501 -0.738632 \n", + " 48 -0.823846 1.713202 -0.381370 -0.312287 -0.915901 \n", + " 49 -1.270055 0.283716 -1.443489 1.261499 1.106987 \n", + " 50 -0.726763 -0.841199 -1.920196 0.076112 3.065888 \n", + " 51 1.500852 -2.622861 -2.722844 0.372366 1.742997 \n", + " 52 2.262112 0.200967 -1.681266 -0.101048 0.402313 \n", + " 53 1.060349 1.715205 1.845918 -0.235781 -3.306168 \n", + " 54 -0.291987 1.696364 3.676648 0.354993 -4.623794 \n", + " 55 -3.251702 -0.015805 2.850392 0.419113 -0.116155 \n", + " 56 -1.260636 -0.962917 -0.006017 0.771567 1.718137 \n", + " 57 0.998862 -0.391249 -2.142054 -0.631692 2.655036 \n", + " 58 3.198617 -2.015426 -0.209166 -2.748340 0.257170 \n", + " 59 1.771650 -0.104490 -0.244687 -2.180743 -1.086017 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 2.081573 \n", + " 3 2.081573 2.157172 1.082466 1.827453 -0.923204 0.799860 0.081885 \n", + " 4 0.081885 0.134497 -0.490639 0.704077 -2.320631 -0.755877 -1.226938 \n", + " 5 -1.226938 -2.370257 0.459415 -0.997229 -1.618863 -0.414506 -1.659394 \n", + " 6 -1.659394 -1.717504 -2.391174 -2.105346 -1.335523 1.380745 1.101106 \n", + " 7 1.101106 -0.866937 -1.550664 -0.841492 -0.743984 0.833207 0.977310 \n", + " 8 0.977310 0.049902 -1.187549 0.720046 0.104454 -0.662987 1.890721 \n", + " 9 1.890721 2.049720 1.013918 2.408039 1.756857 -1.358669 0.638275 \n", + " 10 0.638275 2.330796 2.967666 1.876851 -0.313701 0.218153 2.082017 \n", + " 11 2.082017 0.011434 2.524816 -1.259446 -0.883716 -0.386265 0.999264 \n", + " 12 0.999264 -0.699490 2.590715 -1.413315 -1.760328 1.362875 -0.553754 \n", + " 13 -0.553754 -2.333560 0.527146 -0.449863 0.997240 1.290374 -1.422911 \n", + " 14 -1.422911 -1.891223 -2.259207 -0.997521 1.227547 0.368038 -0.061639 \n", + " 15 -0.061639 -1.307584 -3.006242 1.095031 2.082675 -2.207648 0.110649 \n", + " 16 0.110649 0.513688 -2.692399 2.361554 2.071530 -1.694188 0.608912 \n", + " 17 0.608912 1.408806 0.403479 2.040524 -0.295266 -0.482202 -0.299782 \n", + " 18 -0.299782 1.535544 3.027189 -1.430073 -0.098439 1.974288 0.744819 \n", + " 19 0.744819 -0.981114 3.595581 -1.799051 -0.803619 2.522046 -0.314926 \n", + " 20 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-0.796630 1.132681 \n", + " 33 1.132681 -0.899679 -0.973125 0.640783 -3.512650 1.194536 -2.168233 \n", + " 34 -2.168233 1.918117 1.102948 3.219103 -2.678196 3.477266 -3.664124 \n", + " 35 -3.664124 1.504458 -0.085482 1.365202 -0.755834 2.683182 -0.479357 \n", + " 36 -0.479357 1.765521 -0.388709 -0.311314 2.750275 -0.358151 1.985426 \n", + " 37 1.985426 0.166715 -2.063929 -2.577913 4.428027 -3.284688 2.454851 \n", + " 38 2.454851 -1.676978 -1.045527 -2.266411 1.187470 -2.842842 2.574266 \n", + " 39 2.574266 -3.254193 -0.697583 0.321040 -2.237131 1.400952 0.432997 \n", + " 40 0.432997 -3.047356 0.788831 0.548895 -2.362273 3.854241 -1.027304 \n", + " 41 -1.027304 -1.135431 -0.144724 0.125797 0.033962 3.350270 -1.950277 \n", + " 42 -1.950277 0.525775 1.437477 -0.202528 1.836341 3.328651 -0.017703 \n", + " 43 -0.017703 1.538319 -0.140644 -1.217405 2.069967 0.792744 0.190962 \n", + " 44 0.190962 2.932902 0.554729 -1.907393 2.035209 -2.150061 0.484037 \n", + " 45 0.484037 2.333283 1.455170 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-1.071430 -1.073407 -1.700992 3.826304 1.047155 2.509111 -1.154746 \n", + " 59 -1.154746 -1.742202 1.093333 0.315560 2.701085 0.188557 0.100819 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 2.157172 1.082466 1.827453 -0.923204 0.799860 \n", + " 3 0.134497 -0.490639 0.704077 -2.320631 -0.755877 \n", + " 4 -2.370257 0.459415 -0.997229 -1.618863 -0.414506 \n", + " 5 -1.717504 -2.391174 -2.105346 -1.335523 1.380745 \n", + " 6 -0.866937 -1.550664 -0.841492 -0.743984 0.833207 \n", + " 7 0.049902 -1.187549 0.720046 0.104454 -0.662987 \n", + " 8 2.049720 1.013918 2.408039 1.756857 -1.358669 \n", + " 9 2.330796 2.967666 1.876851 -0.313701 0.218153 \n", + " 10 0.011434 2.524816 -1.259446 -0.883716 -0.386265 \n", + " 11 -0.699490 2.590715 -1.413315 -1.760328 1.362875 \n", + " 12 -2.333560 0.527146 -0.449863 0.997240 1.290374 \n", + " 13 -1.891223 -2.259207 -0.997521 1.227547 0.368038 \n", + " 14 -1.307584 -3.006242 1.095031 2.082675 -2.207648 \n", + " 15 0.513688 -2.692399 2.361554 2.071530 -1.694188 \n", + " 16 1.408806 0.403479 2.040524 -0.295266 -0.482202 \n", + " 17 1.535544 3.027189 -1.430073 -0.098439 1.974288 \n", + " 18 -0.981114 3.595581 -1.799051 -0.803619 2.522046 \n", + " 19 -1.289086 -1.908998 0.223172 -0.571324 1.757235 \n", + " 20 -1.448027 -3.168606 0.505512 0.482341 -0.398487 \n", + " 21 -0.809139 -3.540698 1.805388 2.549107 -1.191550 \n", + " 22 0.812978 -0.495964 1.440436 1.480647 -3.505810 \n", + " 23 -0.013073 2.044638 -2.260026 -1.166347 -2.799849 \n", + " 24 -0.790195 2.461582 -2.655673 -2.594604 -0.309779 \n", + " 25 -0.527014 0.879421 -2.017056 -2.248945 2.145201 \n", + " 26 1.416025 1.161154 -0.384566 0.352875 3.766059 \n", + " 27 2.423035 -1.345011 0.747501 2.059487 2.090043 \n", + " 28 2.241558 -2.147407 2.913573 1.742182 0.139681 \n", + " 29 -1.049456 -1.418913 -0.542128 0.802717 -2.450994 \n", + " 30 -1.755383 0.202390 -2.452597 -0.600119 -2.380185 \n", + " 31 -1.347008 1.117267 -1.720330 -1.874401 -0.796630 \n", + " 32 -0.899679 -0.973125 0.640783 -3.512650 1.194536 \n", + " 33 1.918117 1.102948 3.219103 -2.678196 3.477266 \n", + " 34 1.504458 -0.085482 1.365202 -0.755834 2.683182 \n", + " 35 1.765521 -0.388709 -0.311314 2.750275 -0.358151 \n", + " 36 0.166715 -2.063929 -2.577913 4.428027 -3.284688 \n", + " 37 -1.676978 -1.045527 -2.266411 1.187470 -2.842842 \n", + " 38 -3.254193 -0.697583 0.321040 -2.237131 1.400952 \n", + " 39 -3.047356 0.788831 0.548895 -2.362273 3.854241 \n", + " 40 -1.135431 -0.144724 0.125797 0.033962 3.350270 \n", + " 41 0.525775 1.437477 -0.202528 1.836341 3.328651 \n", + " 42 1.538319 -0.140644 -1.217405 2.069967 0.792744 \n", + " 43 2.932902 0.554729 -1.907393 2.035209 -2.150061 \n", + " 44 2.333283 1.455170 -1.937977 1.313303 -2.777023 \n", + " 45 -0.001808 1.574599 -1.850736 0.624375 -0.669982 \n", + " 46 -1.692882 -0.089836 -1.195379 -1.914599 -0.116182 \n", + " 47 -1.833849 -1.450620 0.521683 -1.438189 -0.340139 \n", + " 48 0.066339 -2.260149 2.438626 0.104489 0.177975 \n", + " 49 1.396474 -2.326273 3.521002 1.032670 2.149567 \n", + " 50 1.236931 -1.009779 1.037026 2.439109 0.991710 \n", + " 51 1.340458 0.046162 -0.430225 1.906470 1.522304 \n", + " 52 -0.367172 2.296631 -2.843612 1.188817 -0.130212 \n", + " 53 -0.649109 1.277546 -1.972287 -2.234162 -0.217570 \n", + " 54 0.482279 -0.304473 -2.252321 -3.297961 0.562628 \n", + " 55 -0.524116 -3.123385 1.796879 -3.774879 0.950071 \n", + " 56 -1.181191 -3.082972 4.505657 -1.268820 2.213315 \n", + " 57 -1.073407 -1.700992 3.826304 1.047155 2.509111 \n", + " 58 -1.742202 1.093333 0.315560 2.701085 0.188557 \n", + " 59 -1.442561 2.752056 -3.877231 2.416107 -2.059157 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.506363 \n", + " 3 0.506363 -0.416391 0.519294 0.252693 1.298203 -0.166385 0.415436 \n", + " 4 0.415436 -1.561911 0.574382 0.401916 -0.871294 -0.161943 -1.509003 \n", + " 5 -1.509003 -1.729693 0.128825 -0.737933 -1.652144 0.396225 -1.659152 \n", + " 6 -1.659152 -3.299555 -1.384097 -0.759017 -0.973677 -2.377067 -0.934981 \n", + " 7 -0.934981 -1.020896 -0.983980 -0.391849 0.798031 -0.583015 2.121147 \n", + " 8 2.121147 -0.921241 0.015281 -0.195998 1.642598 1.340034 1.854867 \n", + " 9 1.854867 0.307292 1.700150 -1.987675 0.690684 3.354308 1.023804 \n", + " 10 1.023804 1.187948 0.773218 -1.416515 -0.338342 3.168177 -2.229072 \n", + " 11 -2.229072 -0.470279 0.698640 0.534407 0.725221 -0.857437 -2.491828 \n", + " 12 -2.491828 -2.407723 -1.085655 3.592895 0.656306 -5.208937 -0.850445 \n", + " 13 -0.850445 -2.329257 -1.204436 2.153713 -0.504950 -3.990626 0.898529 \n", + " 14 0.898529 -1.048109 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27 -0.644010 0.693372 2.879671 2.833404 1.765009 -2.641698 -0.641130 \n", + " 28 -0.641130 -0.750188 -2.562960 0.726191 -0.169567 -2.529428 0.247907 \n", + " 29 0.247907 -0.274413 -4.085473 0.076987 -1.546045 -0.859154 0.180840 \n", + " 30 0.180840 0.634143 -3.298632 0.342899 -1.327006 0.798797 -0.071152 \n", + " 31 -0.071152 0.865464 -0.098859 0.354531 -1.490963 2.430844 0.759709 \n", + " 32 0.759709 1.118750 2.072834 -1.376788 -0.421779 2.093022 0.316206 \n", + " 33 0.316206 0.708286 3.640291 0.400989 0.045393 -1.065015 -0.090664 \n", + " 34 -0.090664 2.017521 2.564498 1.490142 1.206605 -1.959821 -1.160877 \n", + " 35 -1.160877 0.226640 -0.064744 0.997490 1.191920 -1.131837 0.713806 \n", + " 36 0.713806 -2.024911 -1.640616 -0.992888 -0.361650 0.809326 0.669673 \n", + " 37 0.669673 -1.167133 -2.157655 -3.538706 -0.265016 2.837523 1.604908 \n", + " 38 1.604908 0.191914 -1.352218 -3.848506 0.559138 2.530879 -0.451953 \n", + " 39 -0.451953 -0.304974 -1.607094 0.167834 1.301650 1.620309 -0.837445 \n", + " 40 -0.837445 0.356095 0.091208 2.893725 1.236546 -2.110679 -0.565972 \n", + " 41 -0.565972 -0.688144 0.720905 3.002074 -0.401916 -1.368092 -0.687414 \n", + " 42 -0.687414 -1.796247 2.176086 0.464220 -1.386655 0.298046 2.657197 \n", + " 43 2.657197 -1.666727 0.505186 -1.335174 -0.707899 1.234577 2.510606 \n", + " 44 2.510606 -0.314143 -0.814567 -0.741256 -0.089580 1.994202 3.460970 \n", + " 45 3.460970 1.044810 -1.244719 0.394298 1.613923 0.225526 -0.776378 \n", + " 46 -0.776378 1.883075 0.217918 1.415233 2.144880 -1.980448 -3.464235 \n", + " 47 -3.464235 0.170027 -0.078014 0.917127 1.379860 -2.437392 -3.519416 \n", + " 48 -3.519416 -2.853112 -0.582413 -0.578832 1.008642 -2.024317 -2.978405 \n", + " 49 -2.978405 -2.379350 -1.525531 -1.691186 -1.334542 -0.051935 1.250805 \n", + " 50 1.250805 -1.688630 -0.795558 -0.160968 -0.373649 2.139144 4.304309 \n", + " 51 4.304309 0.054855 0.619522 -0.864931 -0.725347 4.093600 6.618858 \n", + " 52 6.618858 2.071472 1.562518 1.377346 -0.274420 2.635857 2.415447 \n", + " 53 2.415447 4.409225 2.318643 2.006720 -1.648534 1.053061 0.199549 \n", + " 54 0.199549 2.484565 1.825217 0.608954 -1.092834 -1.067879 -3.540117 \n", + " 55 -3.540117 -0.872828 0.392292 -1.377312 -0.101963 -0.941830 -2.592341 \n", + " 56 -2.592341 -2.743858 -1.728629 -4.675228 2.212385 -0.594946 -0.800231 \n", + " 57 -0.800231 -1.658473 -0.459496 -2.811738 0.871613 -2.625279 1.752777 \n", + " 58 1.752777 0.654791 0.237954 1.691088 -0.288996 -2.084280 2.737216 \n", + " 59 2.737216 2.289079 0.736139 4.404961 -0.609714 -1.842561 2.953675 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -0.416391 0.519294 0.252693 1.298203 -0.166385 \n", + " 3 -1.561911 0.574382 0.401916 -0.871294 -0.161943 \n", + " 4 -1.729693 0.128825 -0.737933 -1.652144 0.396225 \n", + " 5 -3.299555 -1.384097 -0.759017 -0.973677 -2.377067 \n", + " 6 -1.020896 -0.983980 -0.391849 0.798031 -0.583015 \n", + " 7 -0.921241 0.015281 -0.195998 1.642598 1.340034 \n", + " 8 0.307292 1.700150 -1.987675 0.690684 3.354308 \n", + " 9 1.187948 0.773218 -1.416515 -0.338342 3.168177 \n", + " 10 -0.470279 0.698640 0.534407 0.725221 -0.857437 \n", + " 11 -2.407723 -1.085655 3.592895 0.656306 -5.208937 \n", + " 12 -2.329257 -1.204436 2.153713 -0.504950 -3.990626 \n", + " 13 -1.048109 -1.903120 -1.047234 0.475610 0.063038 \n", + " 14 -0.670449 -1.197948 -2.426973 0.201310 2.504772 \n", + " 15 -0.745068 -1.008657 -2.977363 1.290570 2.626904 \n", + " 16 -0.889574 2.038630 -0.793931 0.421097 1.170693 \n", + " 17 -0.731167 3.104410 1.098810 1.615246 -0.554990 \n", + " 18 1.046309 1.712311 3.758919 0.678489 -1.901035 \n", + " 19 0.060362 0.418744 2.863469 -1.303635 -1.974320 \n", + " 20 0.208342 -1.343609 0.463382 -0.807962 -1.116455 \n", + " 21 -2.318696 -1.656542 -1.451503 -0.731382 0.446086 \n", + " 22 -2.882078 -2.637322 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0.091208 2.893725 1.236546 -2.110679 \n", + " 40 -0.688144 0.720905 3.002074 -0.401916 -1.368092 \n", + " 41 -1.796247 2.176086 0.464220 -1.386655 0.298046 \n", + " 42 -1.666727 0.505186 -1.335174 -0.707899 1.234577 \n", + " 43 -0.314143 -0.814567 -0.741256 -0.089580 1.994202 \n", + " 44 1.044810 -1.244719 0.394298 1.613923 0.225526 \n", + " 45 1.883075 0.217918 1.415233 2.144880 -1.980448 \n", + " 46 0.170027 -0.078014 0.917127 1.379860 -2.437392 \n", + " 47 -2.853112 -0.582413 -0.578832 1.008642 -2.024317 \n", + " 48 -2.379350 -1.525531 -1.691186 -1.334542 -0.051935 \n", + " 49 -1.688630 -0.795558 -0.160968 -0.373649 2.139144 \n", + " 50 0.054855 0.619522 -0.864931 -0.725347 4.093600 \n", + " 51 2.071472 1.562518 1.377346 -0.274420 2.635857 \n", + " 52 4.409225 2.318643 2.006720 -1.648534 1.053061 \n", + " 53 2.484565 1.825217 0.608954 -1.092834 -1.067879 \n", + " 54 -0.872828 0.392292 -1.377312 -0.101963 -0.941830 \n", + " 55 -2.743858 -1.728629 -4.675228 2.212385 -0.594946 \n", + " 56 -1.658473 -0.459496 -2.811738 0.871613 -2.625279 \n", + " 57 0.654791 0.237954 1.691088 -0.288996 -2.084280 \n", + " 58 2.289079 0.736139 4.404961 -0.609714 -1.842561 \n", + " 59 -0.018045 1.151584 2.071645 -0.155312 0.391748 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -1.033971 \n", + " 3 -1.033971 -1.036928 1.743280 0.324114 -0.321830 0.215198 -2.402086 \n", + " 4 -2.402086 -1.090772 1.123681 0.866205 -2.099479 -1.807045 -1.482336 \n", + " 5 -1.482336 -1.310867 0.278924 -0.544468 -2.110080 -2.078683 -0.879108 \n", + " 6 -0.879108 0.553838 -1.730547 -0.167848 -0.277493 -0.411524 0.845823 \n", + " 7 0.845823 0.933186 -2.817727 -0.355726 1.975941 1.529176 1.362749 \n", + " 8 1.362749 2.779835 -2.048026 -0.889540 1.448001 2.906255 0.667971 \n", + " 9 0.667971 0.767239 0.778340 0.070017 1.094866 0.460945 -1.074423 \n", + " 10 -1.074423 -1.432348 5.543541 0.369470 -0.519694 -1.616690 -2.138198 \n", + " 11 -2.138198 -1.239737 3.332462 1.060192 -1.839839 -3.826937 -1.004013 \n", + " 12 -1.004013 -0.421295 -0.183658 -0.415507 -0.074031 -1.600722 1.159910 \n", + " 13 1.159910 -0.588815 -3.263474 -1.581749 1.780521 1.274503 2.560528 \n", + " 14 2.560528 -1.660773 -3.174779 -3.367556 3.685679 3.991161 0.159927 \n", + " 15 0.159927 -0.631137 -0.074775 -1.454250 3.697271 1.719603 -0.969571 \n", + " 16 -0.969571 -1.771504 0.668395 2.703316 1.927671 0.046695 -1.862471 \n", + " 17 -1.862471 0.475051 2.085562 5.058878 -2.015220 -3.060488 -0.355537 \n", + " 18 -0.355537 1.210017 0.406390 1.876233 -3.502964 -3.270738 -0.772437 \n", + " 19 -0.772437 1.394203 -0.453812 -0.871003 -0.850588 1.473388 -0.740990 \n", + " 20 -0.740990 1.592182 -0.627937 -4.889736 -0.475981 3.076949 0.950733 \n", + " 21 0.950733 0.601985 0.930683 -3.881586 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3.537557 1.479736 -1.213221 -1.090338 2.749885 0.418495 \n", + " 35 0.418495 2.595600 3.705031 -4.136876 0.795283 3.043120 -1.018801 \n", + " 36 -1.018801 0.146286 3.796340 -4.035630 -1.339834 0.992288 -3.552941 \n", + " 37 -3.552941 -2.179729 1.189097 -1.988725 0.165260 -1.256376 -1.533886 \n", + " 38 -1.533886 -3.439622 -1.716947 2.632833 -1.225221 -2.361889 1.458307 \n", + " 39 1.458307 -1.458096 -3.795834 4.536536 -0.070055 -0.639790 3.706520 \n", + " 40 3.706520 -0.609177 -1.297505 2.676816 -0.336977 0.633279 2.524686 \n", + " 41 2.524686 1.445347 1.159752 -2.118298 1.382673 0.467340 -0.821947 \n", + " 42 -0.821947 2.192899 2.504138 -4.303391 0.454977 1.611849 -1.213457 \n", + " 43 -1.213457 0.389356 2.881600 -4.281237 1.137153 -0.655767 -2.476213 \n", + " 44 -2.476213 -0.294026 -1.593845 0.886607 -0.079979 -2.426806 -1.678171 \n", + " 45 -1.678171 -2.237737 -3.569994 3.207116 -0.097912 -4.054588 1.898293 \n", + " 46 1.898293 -0.686797 -2.050984 3.586065 -1.610913 -3.070287 3.739445 \n", + " 47 3.739445 1.367299 1.460386 2.587259 -1.931577 -0.728978 2.539366 \n", + " 48 2.539366 0.603506 3.360234 -1.096054 -0.414804 4.034559 -0.794720 \n", + " 49 -0.794720 2.004157 3.008132 -1.853891 -0.025832 5.136864 -2.164818 \n", + " 50 -2.164818 3.207096 -0.122170 -2.922189 3.216425 3.597797 -2.599248 \n", + " 51 -2.599248 2.491874 -0.777759 -1.778900 2.242162 -1.541586 -2.297882 \n", + " 52 -2.297882 -0.513105 -1.465947 -1.566115 -0.763914 -4.193889 -0.354095 \n", + " 53 -0.354095 -2.147848 0.362528 -0.780618 -3.561415 -3.173202 1.293901 \n", + " 54 1.293901 -1.931050 0.366544 -0.562651 -3.418581 -0.161159 0.616647 \n", + " 55 0.616647 -0.802016 -0.198337 1.004934 1.136431 1.694662 -0.137480 \n", + " 56 -0.137480 1.348078 1.420927 2.843317 3.671969 2.265137 1.470643 \n", + " 57 1.470643 4.026778 -0.658287 2.770530 2.732431 2.838627 -0.079922 \n", + " 58 -0.079922 4.139057 -1.497544 0.598660 -0.047711 -0.042838 0.461036 \n", + " 59 0.461036 2.114902 -0.355058 -2.775137 -2.695539 -2.990217 0.912505 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -1.036928 1.743280 0.324114 -0.321830 0.215198 \n", + " 3 -1.090772 1.123681 0.866205 -2.099479 -1.807045 \n", + " 4 -1.310867 0.278924 -0.544468 -2.110080 -2.078683 \n", + " 5 0.553838 -1.730547 -0.167848 -0.277493 -0.411524 \n", + " 6 0.933186 -2.817727 -0.355726 1.975941 1.529176 \n", + " 7 2.779835 -2.048026 -0.889540 1.448001 2.906255 \n", + " 8 0.767239 0.778340 0.070017 1.094866 0.460945 \n", + " 9 -1.432348 5.543541 0.369470 -0.519694 -1.616690 \n", + " 10 -1.239737 3.332462 1.060192 -1.839839 -3.826937 \n", + " 11 -0.421295 -0.183658 -0.415507 -0.074031 -1.600722 \n", + " 12 -0.588815 -3.263474 -1.581749 1.780521 1.274503 \n", + " 13 -1.660773 -3.174779 -3.367556 3.685679 3.991161 \n", + " 14 -0.631137 -0.074775 -1.454250 3.697271 1.719603 \n", + " 15 -1.771504 0.668395 2.703316 1.927671 0.046695 \n", + " 16 0.475051 2.085562 5.058878 -2.015220 -3.060488 \n", + " 17 1.210017 0.406390 1.876233 -3.502964 -3.270738 \n", + " 18 1.394203 -0.453812 -0.871003 -0.850588 1.473388 \n", + " 19 1.592182 -0.627937 -4.889736 -0.475981 3.076949 \n", + " 20 0.601985 0.930683 -3.881586 2.004011 4.172172 \n", + " 21 -2.977816 0.878889 0.925728 0.293455 2.115880 \n", + " 22 -2.114078 1.231170 2.710910 -0.117714 -3.230767 \n", + " 23 -0.912703 1.173213 1.927552 -2.264963 -3.997902 \n", + " 24 0.683153 -0.220398 -0.353655 -3.792756 -2.510844 \n", + " 25 3.107781 -0.761083 -2.514951 -4.957393 1.376960 \n", + " 26 3.029493 0.775285 -1.252870 -1.046154 4.459479 \n", + " 27 0.039985 2.494282 0.573320 2.993198 3.572649 \n", + " 28 -2.256731 2.558225 0.048693 2.915537 -0.981168 \n", + " 29 -2.957870 -0.116931 1.661837 2.119342 -2.087648 \n", + " 30 -1.184497 -3.156497 2.323460 -0.662745 -2.509665 \n", + " 31 0.263010 -3.801637 3.223165 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3.008132 -1.853891 -0.025832 5.136864 \n", + " 49 3.207096 -0.122170 -2.922189 3.216425 3.597797 \n", + " 50 2.491874 -0.777759 -1.778900 2.242162 -1.541586 \n", + " 51 -0.513105 -1.465947 -1.566115 -0.763914 -4.193889 \n", + " 52 -2.147848 0.362528 -0.780618 -3.561415 -3.173202 \n", + " 53 -1.931050 0.366544 -0.562651 -3.418581 -0.161159 \n", + " 54 -0.802016 -0.198337 1.004934 1.136431 1.694662 \n", + " 55 1.348078 1.420927 2.843317 3.671969 2.265137 \n", + " 56 4.026778 -0.658287 2.770530 2.732431 2.838627 \n", + " 57 4.139057 -1.497544 0.598660 -0.047711 -0.042838 \n", + " 58 2.114902 -0.355058 -2.775137 -2.695539 -2.990217 \n", + " 59 -1.512408 1.835188 -1.239491 -4.682574 -2.325343 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.456139 \n", + " 3 0.456139 2.033950 -2.046513 -0.679731 1.135633 0.818384 -1.946087 \n", + " 4 -1.946087 0.141335 -3.409339 -2.187148 1.407804 -0.509551 -1.353935 \n", + " 5 -1.353935 -1.177802 -2.695117 -2.219436 -0.147177 -3.134879 -0.946563 \n", + " 6 -0.946563 -1.657310 -0.525838 0.606351 0.157475 -2.527644 1.276337 \n", + " 7 1.276337 -1.362393 1.800790 2.002042 -3.075572 -1.100843 2.200142 \n", + " 8 2.200142 2.133039 1.690947 3.034566 -1.833836 3.165127 2.258333 \n", + " 9 2.258333 3.706683 1.428262 0.454780 -0.092936 3.910391 2.323043 \n", + " 10 2.323043 3.375028 -0.431636 -0.868125 1.126580 1.738411 -1.716722 \n", + " 11 -1.716722 -0.433157 -0.825890 -1.502924 0.791846 -0.517542 -2.689213 \n", + " 12 -2.689213 -1.829422 0.054082 0.106613 0.290463 -0.789086 -2.975608 \n", + " 13 -2.975608 -2.871748 0.894493 0.744721 -2.113682 -1.130676 -1.727847 \n", + " 14 -1.727847 -2.711665 1.161757 2.031144 -2.870653 0.071517 0.427228 \n", + " 15 0.427228 -0.113340 0.949348 0.316162 -1.385519 3.806739 0.564925 \n", + " 16 0.564925 2.057385 1.039775 -0.623176 0.099741 1.271971 2.049510 \n", + " 17 2.049510 1.595090 -0.234343 0.105804 -0.001625 -1.393216 2.522457 \n", + " 18 2.522457 1.332716 -1.437976 0.373610 -0.482371 -3.437311 -0.380589 \n", + " 19 -0.380589 -0.267075 -1.636537 0.157671 -0.924619 -1.520724 -0.699467 \n", + " 20 -0.699467 -1.956348 0.225975 0.697267 -0.382217 0.399963 -2.576038 \n", + " 21 -2.576038 -2.401017 -0.472728 1.891687 -0.868663 3.292571 -2.428426 \n", + " 22 -2.428426 -1.825708 -1.042407 0.917457 -0.006722 1.892131 1.007903 \n", + " 23 1.007903 1.154417 -0.453969 -1.185986 0.137176 -0.332798 2.932754 \n", + " 24 2.932754 3.449951 1.793620 -2.243633 1.146430 -2.298090 3.845612 \n", + " 25 3.845612 3.121728 1.032544 -2.541492 3.111695 -1.798627 2.321308 \n", + " 26 2.321308 -0.756534 -0.357808 -1.287982 1.814216 -0.636919 -2.883602 \n", + " 27 -2.883602 -3.265791 -1.845157 1.397658 0.416660 1.190803 -4.393371 \n", + " 28 -4.393371 -2.826694 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0.294733 0.581939 -0.147558 0.186756 2.093678 4.666600 -0.131687 \n", + " 42 -0.131687 -0.833201 -0.255809 2.630118 1.398818 1.763036 -1.816932 \n", + " 43 -1.816932 -0.874284 0.318485 1.853190 -1.187142 0.873712 -1.113044 \n", + " 44 -1.113044 0.054006 0.758793 0.122549 -2.150998 -3.457439 -0.600464 \n", + " 45 -0.600464 1.528695 -0.554282 -1.515371 -2.856742 -3.668877 0.732256 \n", + " 46 0.732256 3.040098 -0.347260 -1.878399 -0.434363 -2.546813 0.859703 \n", + " 47 0.859703 -0.814783 -0.166684 -1.453819 1.159809 1.287451 0.680245 \n", + " 48 0.680245 -2.801990 1.402478 0.601321 -0.101334 3.514397 2.521605 \n", + " 49 2.521605 -3.801704 1.284970 1.480576 0.663884 3.214898 2.803914 \n", + " 50 2.803914 -1.136448 1.477252 3.388175 -0.444768 1.636546 1.248333 \n", + " 51 1.248333 0.167580 1.505305 0.651578 -0.553188 -0.967182 -2.816378 \n", + " 52 -2.816378 -0.145367 0.819613 0.520284 -0.554975 -1.975603 -5.156425 \n", + " 53 -5.156425 0.429505 -0.421366 -2.099518 -0.313168 -2.777604 -2.130591 \n", + " 54 -2.130591 0.236751 -1.253015 -1.289499 0.616925 -1.787170 0.087386 \n", + " 55 0.087386 -1.632686 2.010301 1.088886 0.282552 0.358503 2.592892 \n", + " 56 2.592892 -2.050683 4.390912 0.876416 -0.545238 2.534935 1.805186 \n", + " 57 1.805186 -1.278657 3.442197 1.385136 -1.943744 2.998407 -0.263994 \n", + " 58 -0.263994 -2.200526 -0.199455 0.787950 -1.213753 0.455107 -0.220292 \n", + " 59 -0.220292 -0.291927 -4.861226 0.098120 0.519958 -1.228191 -0.541825 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 2.033950 -2.046513 -0.679731 1.135633 0.818384 \n", + " 3 0.141335 -3.409339 -2.187148 1.407804 -0.509551 \n", + " 4 -1.177802 -2.695117 -2.219436 -0.147177 -3.134879 \n", + " 5 -1.657310 -0.525838 0.606351 0.157475 -2.527644 \n", + " 6 -1.362393 1.800790 2.002042 -3.075572 -1.100843 \n", + " 7 2.133039 1.690947 3.034566 -1.833836 3.165127 \n", + " 8 3.706683 1.428262 0.454780 -0.092936 3.910391 \n", + " 9 3.375028 -0.431636 -0.868125 1.126580 1.738411 \n", + " 10 -0.433157 -0.825890 -1.502924 0.791846 -0.517542 \n", + " 11 -1.829422 0.054082 0.106613 0.290463 -0.789086 \n", + " 12 -2.871748 0.894493 0.744721 -2.113682 -1.130676 \n", + " 13 -2.711665 1.161757 2.031144 -2.870653 0.071517 \n", + " 14 -0.113340 0.949348 0.316162 -1.385519 3.806739 \n", + " 15 2.057385 1.039775 -0.623176 0.099741 1.271971 \n", + " 16 1.595090 -0.234343 0.105804 -0.001625 -1.393216 \n", + " 17 1.332716 -1.437976 0.373610 -0.482371 -3.437311 \n", + " 18 -0.267075 -1.636537 0.157671 -0.924619 -1.520724 \n", + " 19 -1.956348 0.225975 0.697267 -0.382217 0.399963 \n", + " 20 -2.401017 -0.472728 1.891687 -0.868663 3.292571 \n", + " 21 -1.825708 -1.042407 0.917457 -0.006722 1.892131 \n", + " 22 1.154417 -0.453969 -1.185986 0.137176 -0.332798 \n", + " 23 3.449951 1.793620 -2.243633 1.146430 -2.298090 \n", + " 24 3.121728 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\n", + " 58 -0.291927 -4.861226 0.098120 0.519958 -1.228191 \n", + " 59 1.120159 -3.811405 0.083991 0.808471 -2.597957 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -0.084820 \n", + " 3 -0.084820 1.586022 0.605605 0.266294 -0.383741 0.977382 -1.122647 \n", + " 4 -1.122647 0.854189 1.321422 0.966264 -0.580624 0.470157 -1.578504 \n", + " 5 -1.578504 -0.483778 0.127585 0.398470 -0.782551 -2.015103 -0.729908 \n", + " 6 -0.729908 -2.014713 0.300770 -2.396751 -1.133319 -0.706511 -1.124894 \n", + " 7 -1.124894 -1.497068 -1.017088 -2.272468 -0.411644 -0.838707 0.449314 \n", + " 8 0.449314 0.192741 -0.242315 -2.704465 0.274524 -0.582956 2.164719 \n", + " 9 2.164719 1.722286 -1.712750 1.064334 0.099301 -0.294971 1.759156 \n", + " 10 1.759156 3.350718 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+ " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 1.586022 0.605605 0.266294 -0.383741 0.977382 \n", + " 3 0.854189 1.321422 0.966264 -0.580624 0.470157 \n", + " 4 -0.483778 0.127585 0.398470 -0.782551 -2.015103 \n", + " 5 -2.014713 0.300770 -2.396751 -1.133319 -0.706511 \n", + " 6 -1.497068 -1.017088 -2.272468 -0.411644 -0.838707 \n", + " 7 0.192741 -0.242315 -2.704465 0.274524 -0.582956 \n", + " 8 1.722286 -1.712750 1.064334 0.099301 -0.294971 \n", + " 9 3.350718 -0.407800 3.529570 -1.031592 0.673395 \n", + " 10 2.683280 -0.350502 2.684318 -1.599167 0.278267 \n", + " 11 -1.213914 1.346368 2.671296 -0.025971 -0.714944 \n", + " 12 -4.750429 -0.867737 -1.104370 -0.676145 -1.473033 \n", + " 13 -4.113444 0.039146 -1.824884 -1.025157 -0.990827 \n", + " 14 0.155865 -1.314758 -3.929785 -1.143205 1.747313 \n", + " 15 3.738643 0.782175 -1.848726 0.185037 1.123780 \n", + " 16 3.576748 2.457772 -0.459695 0.942031 0.144657 \n", + 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0.359461 -0.707176 1.923379 \n", + " 51 -0.533652 0.694637 0.039517 0.496595 -0.380660 \n", + " 52 -1.331851 0.189305 0.633462 2.311603 -2.243716 \n", + " 53 -1.170985 0.648793 2.253939 1.398437 -2.832872 \n", + " 54 0.621854 0.557198 2.334345 -0.234236 -1.208194 \n", + " 55 0.812788 -0.048157 0.940038 -2.450450 0.570799 \n", + " 56 1.274900 -0.738959 -0.447590 -3.114240 2.639979 \n", + " 57 0.338150 -0.731722 -1.035184 -2.863573 0.719601 \n", + " 58 0.837755 -1.402413 -0.341035 -1.203239 0.012047 \n", + " 59 1.371179 -0.034546 0.575024 0.063405 -1.284970 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.179776 \n", + " 3 0.179776 0.705151 -0.518827 0.879035 -0.189788 0.927866 -1.492325 \n", + " 4 -1.492325 -2.577323 -1.892228 -0.416484 0.421171 0.736460 -2.964365 \n", + " 5 -2.964365 -3.081388 -2.412075 -1.262453 -1.037205 -0.948056 -1.431617 \n", + " 6 -1.431617 -2.452062 1.375724 -1.434674 0.221634 -1.852556 -0.848849 \n", + " 7 -0.848849 0.314977 1.880411 0.383738 0.311149 -2.325431 0.870876 \n", + " 8 0.870876 2.202430 1.992699 2.869082 -0.375432 1.082437 1.275354 \n", + " 9 1.275354 3.156677 2.062388 3.148418 1.483395 2.220596 -0.532490 \n", + " 10 -0.532490 2.256572 -0.072261 0.137735 0.140278 2.676524 0.270377 \n", + " 11 0.270377 0.263100 -0.652781 -2.065905 -2.178689 0.815830 -0.061954 \n", + " 12 -0.061954 -1.930618 -1.051799 -3.354502 -1.086963 -1.754536 -1.444475 \n", + " 13 -1.444475 -1.621953 -0.529378 -1.036039 -0.093420 -2.514132 -1.293760 \n", + " 14 -1.293760 -2.289644 0.523625 2.065559 -3.011267 -2.211359 2.165571 \n", + " 15 2.165571 -1.484126 1.274895 4.366547 -3.190986 0.150075 1.510455 \n", + " 16 1.510455 -0.593127 1.651679 3.927912 -1.378541 1.753736 0.231524 \n", + " 17 0.231524 1.699171 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\n", + " 30 -0.270335 -0.433709 0.649252 4.665453 -4.279853 -1.259942 0.622664 \n", + " 31 0.622664 0.083510 -0.829218 0.613535 -4.141262 -1.247436 1.603203 \n", + " 32 1.603203 -0.560951 0.364732 -2.112378 -3.336917 -0.079714 1.753701 \n", + " 33 1.753701 -2.109242 0.069809 -3.398111 -0.923915 -0.005241 -0.869920 \n", + " 34 -0.869920 -2.243175 -0.355020 -1.514303 1.275736 0.679682 -2.802259 \n", + " 35 -2.802259 -0.996961 -0.938299 1.358901 3.117145 -0.305145 -2.293090 \n", + " 36 -2.293090 2.028631 -1.337559 2.978076 1.220021 0.077404 -1.040522 \n", + " 37 -1.040522 1.492070 0.250023 2.993742 0.287929 1.269523 0.443669 \n", + " 38 0.443669 4.362485 -1.751330 0.814180 -2.942071 2.393946 1.253705 \n", + " 39 1.253705 2.279419 -1.814336 -2.087991 -3.584247 0.851234 0.481516 \n", + " 40 0.481516 -2.392975 1.716857 -3.883288 -1.219103 -0.087862 -0.454231 \n", + " 41 -0.454231 -3.679352 2.361437 0.085885 1.371191 1.252936 -0.068389 \n", + " 42 -0.068389 -3.876423 2.320082 1.880159 1.580066 -0.356909 2.420130 \n", + " 43 2.420130 -2.384647 -1.692760 2.633264 2.330987 -0.123049 1.615196 \n", + " 44 1.615196 -0.011118 -1.785611 2.122304 -1.065246 -0.099240 0.051880 \n", + " 45 0.051880 2.997491 -1.464458 -0.685756 -2.074299 0.128626 -2.043103 \n", + " 46 -2.043103 4.358987 -0.630069 -1.483972 -3.086118 0.295065 -2.508570 \n", + " 47 -2.508570 3.640037 1.462057 -2.941436 -0.987880 0.039067 -1.862464 \n", + " 48 -1.862464 2.559443 3.316397 -1.665328 -0.636959 -1.434608 1.441738 \n", + " 49 1.441738 -1.764077 0.564463 2.528719 1.154578 0.767212 2.900315 \n", + " 50 2.900315 -4.244167 -0.084727 4.279994 1.498925 0.749733 1.425515 \n", + " 51 1.425515 -4.479165 -0.090961 1.415713 1.647196 -0.032505 -0.835461 \n", + " 52 -0.835461 0.062701 -0.808363 0.230143 0.801875 0.133362 -2.316843 \n", + " 53 -2.316843 2.431321 -0.166618 -2.779320 -0.382213 0.080216 -2.058988 \n", + " 54 -2.058988 3.216666 -1.638899 -2.635943 0.111638 0.578590 -0.056214 \n", + " 55 -0.056214 2.129468 -3.641569 -2.598537 -0.769324 -0.773465 1.942006 \n", + " 56 1.942006 -1.408140 -2.743891 -0.438017 -2.431456 -0.673214 1.828530 \n", + " 57 1.828530 -4.219739 -0.813245 1.595086 -1.792187 -0.909410 0.959731 \n", + " 58 0.959731 -2.757245 0.018975 1.184817 -0.393676 -0.393984 -0.462973 \n", + " 59 -0.462973 -0.487910 0.186785 -0.779990 1.666252 1.025579 -0.234760 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.705151 -0.518827 0.879035 -0.189788 0.927866 \n", + " 3 -2.577323 -1.892228 -0.416484 0.421171 0.736460 \n", + " 4 -3.081388 -2.412075 -1.262453 -1.037205 -0.948056 \n", + " 5 -2.452062 1.375724 -1.434674 0.221634 -1.852556 \n", + " 6 0.314977 1.880411 0.383738 0.311149 -2.325431 \n", + " 7 2.202430 1.992699 2.869082 -0.375432 1.082437 \n", + " 8 3.156677 2.062388 3.148418 1.483395 2.220596 \n", + " 9 2.256572 -0.072261 0.137735 0.140278 2.676524 \n", + " 10 0.263100 -0.652781 -2.065905 -2.178689 0.815830 \n", + " 11 -1.930618 -1.051799 -3.354502 -1.086963 -1.754536 \n", + " 12 -1.621953 -0.529378 -1.036039 -0.093420 -2.514132 \n", + " 13 -2.289644 0.523625 2.065559 -3.011267 -2.211359 \n", + " 14 -1.484126 1.274895 4.366547 -3.190986 0.150075 \n", + " 15 -0.593127 1.651679 3.927912 -1.378541 1.753736 \n", + " 16 1.699171 -0.251820 1.605640 -0.340194 1.998477 \n", + " 17 2.766756 -1.374122 0.295110 1.828252 0.776134 \n", + " 18 0.852590 -1.189807 -2.208274 4.512939 -0.743966 \n", + " 19 -1.201418 -1.853632 -1.228120 3.014088 -2.107879 \n", + " 20 -2.495138 0.655888 0.780979 1.463111 -2.676561 \n", + " 21 -1.759072 1.622555 1.765515 -1.388207 -1.502780 \n", + " 22 1.193348 -0.410972 2.868149 -3.159439 -0.539446 \n", + " 23 1.805969 -1.103303 0.318022 -3.302353 -0.167921 \n", + " 24 2.568277 -1.104261 -1.561067 -1.338262 1.281970 \n", + " 25 1.842573 -0.369911 -1.696355 1.228386 1.514810 \n", 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-1.182286 1.231493 1.072577 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.424350 \n", + " 3 0.424350 0.956088 -0.761575 -0.939224 1.296796 2.634255 -1.083348 \n", + " 4 -1.083348 -1.081354 -1.531318 -1.628442 -0.554422 2.196957 0.407340 \n", + " 5 0.407340 -2.145322 -0.594996 -2.148434 -1.370606 0.320765 1.440382 \n", + " 6 1.440382 -1.661126 0.545938 -2.712352 -1.572570 -0.540687 1.781789 \n", + " 7 1.781789 -0.507846 1.302075 0.767169 -1.682173 -2.007425 0.201612 \n", + " 8 0.201612 2.106086 0.282461 3.011740 -0.484688 -0.652787 -1.666407 \n", + " 9 -1.666407 1.275642 0.670996 1.466740 -0.048927 0.393168 -0.819827 \n", + " 10 -0.819827 3.513093 1.939247 -0.452607 1.669772 1.324490 1.455546 \n", + " 11 1.455546 2.055501 -0.189111 -0.690966 0.570646 -0.768148 1.896357 \n", + " 12 1.896357 0.133982 -0.421028 -0.499420 0.019653 -1.914447 1.333868 \n", + " 13 1.333868 -2.160803 -3.237057 1.299525 -0.392534 -0.424937 -1.412268 \n", + " 14 -1.412268 -1.978902 -1.499785 -0.337831 -0.842922 1.116999 -1.017048 \n", + " 15 -1.017048 -0.312841 0.883222 -0.942314 -0.959991 0.870738 -1.165632 \n", + " 16 -1.165632 3.278483 4.027276 0.149471 0.412576 -0.574434 -0.949069 \n", + " 17 -0.949069 3.096621 3.030893 1.594069 1.426958 -0.734849 0.471157 \n", + " 18 0.471157 -0.044960 1.696168 0.672319 1.355167 0.269524 3.047377 \n", + " 19 3.047377 -4.332984 -3.369904 0.684087 0.926331 3.178263 2.042673 \n", + " 20 2.042673 -4.570997 -5.733741 2.555801 0.702299 2.723559 1.364373 \n", + " 21 1.364373 -0.544612 -4.217644 0.595081 -1.365641 0.362090 -1.012501 \n", + " 22 -1.012501 1.854695 1.490991 -1.483267 -1.656964 -2.400481 -1.179861 \n", + " 23 -1.179861 2.676444 2.071601 -2.983219 -0.518086 -3.225319 -1.557369 \n", + " 24 -1.557369 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1.074038 \n", + " 12 -1.115060 -1.956287 -4.260822 -1.267486 2.016760 \n", + " 13 -3.387199 -1.778889 -2.170282 0.081891 0.606850 \n", + " 14 -1.209269 -0.308705 -0.709170 2.007109 -1.389624 \n", + " 15 1.130077 0.808776 1.994932 2.902635 -1.180499 \n", + " 16 2.938353 1.890290 2.780191 2.056846 1.142419 \n", + " 17 1.913974 0.435311 1.193295 -0.688376 1.777939 \n", + " 18 0.609295 1.108161 -0.807674 -3.457965 1.087383 \n", + " 19 -1.495966 0.184042 -1.477737 -3.966989 -0.412521 \n", + " 20 -2.610458 -0.374777 -1.399604 0.010437 -1.202039 \n", + " 21 -2.359445 -1.040537 1.273281 1.521154 -0.754361 \n", + " 22 -0.608959 -2.177594 1.604300 1.848678 -0.254748 \n", + " 23 1.638107 -2.944441 0.655471 0.390931 1.596041 \n", + " 24 1.421481 -2.595857 -1.776874 -1.016404 -0.223425 \n", + " 25 2.091462 -0.267468 -1.639922 -2.598127 -0.491564 \n", + " 26 -1.743807 2.328981 -2.284590 -1.767763 -0.569561 \n", + " 27 -2.761839 3.630907 1.581070 -0.242990 -2.681534 \n", + " 28 -2.583282 0.872239 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-0.974814 2.912785 -0.714970 -0.296018 -2.397951 3.916478 \n", + " 14 3.916478 0.523742 0.260425 -1.389950 -0.748006 -3.504202 4.196426 \n", + " 15 4.196426 1.600406 -2.538217 0.099811 -0.771177 -2.370021 -0.962846 \n", + " 16 -0.962846 0.840663 -2.213033 1.474763 -0.072420 -0.435996 -2.371968 \n", + " 17 -2.371968 -0.309758 -1.822954 1.959562 -0.908855 1.476922 -5.283463 \n", + " 18 -5.283463 0.344929 0.836884 2.306680 -0.134136 3.205823 -2.097289 \n", + " 19 -2.097289 -0.736094 2.285133 1.213124 -0.151514 1.992701 1.245711 \n", + " 20 1.245711 0.930267 1.014504 -2.016298 0.114279 -1.462913 4.046560 \n", + " 21 4.046560 -1.111417 -0.537106 -0.243647 0.116879 -2.257831 4.279691 \n", + " 22 4.279691 -0.588214 -1.030610 -0.250024 0.470417 -1.550243 0.923394 \n", + " 23 0.923394 -0.990472 -0.123239 0.087966 0.327165 0.525611 -2.712510 \n", + " 24 -2.712510 -1.136264 1.006184 0.959984 0.515699 1.820574 -2.469267 \n", + " 25 -2.469267 2.028987 2.019513 -0.740334 0.642680 3.272088 -0.861073 \n", + " 26 -0.861073 1.926243 1.338143 -1.554748 -0.233067 2.169379 1.844937 \n", + " 27 1.844937 1.110983 1.489499 -0.750176 0.547794 -0.762865 1.123166 \n", + " 28 1.123166 -0.476685 -0.400631 0.076226 1.170431 -2.460890 1.836425 \n", + " 29 1.836425 -0.040893 -3.416113 2.413514 0.604972 -2.839051 -0.223325 \n", + " 30 -0.223325 -2.180878 -3.088324 1.246171 -1.703068 -3.076846 0.252366 \n", + " 31 0.252366 1.147674 -2.155712 1.348739 -1.677948 0.109784 -0.695643 \n", + " 32 -0.695643 0.747368 2.936340 -1.226452 -2.154278 1.554912 -1.250673 \n", + " 33 -1.250673 0.381746 3.871143 -1.983693 -1.005230 1.993496 -1.110085 \n", + " 34 -1.110085 -0.752307 1.590456 -1.846060 0.776290 0.084151 -0.941313 \n", + " 35 -0.941313 -0.582684 -0.507998 -0.450142 -0.051263 -1.628389 1.685745 \n", + " 36 1.685745 0.080133 -1.006836 1.218360 0.481659 -1.123637 1.155669 \n", + " 37 1.155669 0.686045 -1.269212 1.669177 -0.123751 -1.800732 0.548302 \n", + " 38 0.548302 2.285098 0.139907 1.679640 -1.210473 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\n", + " 38 1.328185 2.600266 0.358248 -0.962665 0.262894 \n", + " 39 0.003186 2.024914 -0.482470 1.876406 0.280767 \n", + " 40 -0.546993 0.860350 -0.624962 2.447500 0.629293 \n", + " 41 -0.170471 -1.423548 1.812689 1.492693 -0.208798 \n", + " 42 -0.685053 -1.427956 0.556387 -1.910112 0.112197 \n", + " 43 2.308800 0.382268 0.457290 -3.673103 0.247846 \n", + " 44 1.394551 3.473264 -0.450938 -2.741438 0.516665 \n", + " 45 0.737694 2.027928 0.574261 -1.593243 0.533612 \n", + " 46 -2.564548 0.682581 1.042389 -0.344800 -0.523912 \n", + " 47 -2.237660 -1.183418 1.043566 1.284521 -0.405490 \n", + " 48 -0.221761 -0.171733 0.650754 1.162598 0.273190 \n", + " 49 2.561718 0.522551 -2.639111 0.495199 0.501335 \n", + " 50 1.755233 1.702207 -0.664792 -0.801116 0.636942 \n", + " 51 0.472024 0.941421 0.463518 -0.928358 0.722259 \n", + " 52 -0.582306 -0.298528 3.096604 -0.722355 -0.126547 \n", + " 53 0.034727 -0.246464 1.954450 -0.830610 0.056756 \n", + " 54 0.168237 0.293518 -0.173643 -0.117700 0.372142 \n", + " 55 -0.251833 0.567851 -2.361439 0.029157 0.563227 \n", + " 56 -0.053240 1.657361 -2.931083 0.712323 -0.893820 \n", + " 57 -0.690684 1.045002 -2.554431 0.599155 1.283831 \n", + " 58 1.602367 0.659243 -0.281105 0.546481 1.908947 \n", + " 59 2.158864 -1.276885 1.538736 -1.786920 1.667961 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -2.102771 \n", + " 3 -2.102771 -0.484425 -0.395366 0.763085 0.777490 1.507198 -2.870156 \n", + " 4 -2.870156 -1.985838 -0.777650 -0.067848 -0.580827 -0.617870 -2.742157 \n", + " 5 -2.742157 -4.157783 -2.128175 0.061123 -1.026630 -3.799678 1.125976 \n", + " 6 1.125976 -2.229428 -0.726762 -0.871464 -0.196168 -1.313505 1.197445 \n", + " 7 1.197445 0.448202 1.265100 -0.809260 -0.179901 -0.410005 1.168179 \n", + " 8 1.168179 2.666371 1.944734 1.312874 1.040026 2.177766 -0.048298 \n", + " 9 -0.048298 2.190384 1.978848 2.091674 -0.117044 2.712301 0.079084 \n", + " 10 0.079084 1.371502 0.242437 -0.427140 0.219584 0.361854 0.552095 \n", + " 11 0.552095 -0.991969 -1.891167 -0.421342 0.595494 -1.843124 0.645862 \n", + " 12 0.645862 -1.353280 -2.857390 -0.633668 1.142472 -3.192732 -0.125083 \n", + " 13 -0.125083 -1.250254 -2.412463 -2.236898 0.945227 -1.207750 -0.295372 \n", + " 14 -0.295372 -1.745698 1.179305 0.569110 -1.421152 2.182766 -0.169639 \n", + " 15 -0.169639 -1.691919 2.204652 1.244378 -1.909805 2.527525 0.070854 \n", + " 16 0.070854 -0.000570 0.808845 2.329872 0.022811 2.829166 -0.947372 \n", + " 17 -0.947372 0.195009 -1.531455 -1.180278 3.627907 -0.085738 -1.882144 \n", + " 18 -1.882144 0.228619 -0.915824 -2.754534 1.092351 -1.504908 -0.920547 \n", + " 19 -0.920547 -0.726075 0.201670 -2.461847 -1.071884 -1.680359 0.570352 \n", + " 20 0.570352 -0.597418 0.986023 0.371175 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\n", + " 23 1.947524 -0.614040 -0.188256 -2.197137 2.601424 \n", + " 24 0.928827 0.741635 1.383189 -1.506548 1.019427 \n", + " 25 -0.813963 -0.655158 -0.879716 -0.043015 -2.214631 \n", + " 26 0.098748 1.843233 -0.052841 1.875372 -3.148324 \n", + " 27 -1.306113 0.605321 -0.599748 3.317009 -1.132736 \n", + " 28 -1.408778 0.257083 -1.115843 1.588887 0.919645 \n", + " 29 -2.013014 -0.157297 -0.492031 -0.484244 1.024926 \n", + " 30 -1.031891 -1.078981 -0.513890 -2.053115 1.367367 \n", + " 31 -0.276607 -2.214011 -1.231379 -0.301815 0.217436 \n", + " 32 2.313524 -1.695805 0.850871 -0.187977 1.458275 \n", + " 33 3.660750 -0.180407 0.987094 -0.413004 1.056403 \n", + " 34 1.676997 1.130125 1.365805 0.963555 -0.802183 \n", + " 35 -1.404458 1.543654 -0.313402 1.122811 -2.720866 \n", + " 36 -1.267461 0.105779 -1.056235 0.637005 -1.338637 \n", + " 37 -0.149510 -0.376487 0.975093 -1.069871 1.648168 \n", + " 38 0.794884 -2.113452 0.380080 -2.575192 1.247775 \n", + " 39 -0.785281 -2.134579 -0.523165 -3.352202 0.735276 \n", + " 40 0.770684 -2.123452 -0.124886 0.281878 -0.269844 \n", + " 41 0.765561 0.005824 0.481559 2.258786 -1.099179 \n", + " 42 0.282287 0.666621 1.757937 2.872848 -1.397891 \n", + " 43 -1.184314 3.086510 0.769293 1.151440 0.244199 \n", + " 44 -1.325908 1.619392 -0.668283 -0.446156 1.196426 \n", + " 45 -3.109811 0.726516 -0.270142 -3.603855 0.133906 \n", + " 46 -2.246298 -1.623774 -1.196614 -2.906545 -1.082881 \n", + " 47 1.957632 -1.966954 -2.696845 -0.386352 -1.678637 \n", + " 48 1.693378 -0.996620 -0.875922 2.420029 -0.416004 \n", + " 49 1.930820 -0.054944 0.687373 3.031886 0.329294 \n", + " 50 1.898739 1.709189 2.595079 0.180889 2.235265 \n", + " 51 0.969703 0.592376 2.453616 -1.310927 0.700665 \n", + " 52 -0.779726 -0.275641 0.326885 -2.119427 -0.539300 \n", + " 53 0.068652 -0.307728 -0.329609 -1.714354 -1.626750 \n", + " 54 0.038537 -0.588353 -2.510443 1.205123 -0.891989 \n", + " 55 -1.582724 -0.538350 -0.566537 0.455029 -1.130795 \n", + " 56 -0.166098 -0.419401 0.723783 0.243205 0.846877 \n", + " 57 1.474206 -1.414226 1.548768 -0.693061 1.908280 \n", + " 58 2.708197 0.301592 2.755299 -0.333411 1.834614 \n", + " 59 1.504533 0.310889 0.624089 1.772759 0.824027 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -0.097255 \n", + " 3 -0.097255 -0.847436 -0.278273 0.545135 2.106799 -0.794775 -0.933618 \n", + " 4 -0.933618 -1.031239 0.100414 0.195353 1.350698 -1.374280 -1.670241 \n", + " 5 -1.670241 -3.385119 -0.627125 -1.113922 0.544791 0.201992 -2.492564 \n", + " 6 -2.492564 -1.230570 -0.389198 -3.349831 -2.162106 -0.722250 -1.136683 \n", + " 7 -1.136683 2.181002 2.638977 -3.359813 -2.142743 1.064337 0.432814 \n", + " 8 0.432814 4.141883 2.822959 1.180543 -2.519239 0.986702 2.970108 \n", + " 9 2.970108 4.814078 1.987351 2.863999 -1.328904 1.044074 1.393096 \n", + " 10 1.393096 1.670988 -0.576043 4.386433 -0.120049 -0.193155 -0.643789 \n", + " 11 -0.643789 -1.415907 -1.692248 2.770817 0.473526 1.608907 -0.185830 \n", + " 12 -0.185830 -2.554664 -3.202153 -0.847273 0.755138 -0.102615 -1.115304 \n", + " 13 -1.115304 -2.481167 0.122136 -2.585281 0.119092 -0.143737 -1.454505 \n", + " 14 -1.454505 0.103333 -0.024137 -1.430397 -2.218930 0.031967 -0.264450 \n", + " 15 -0.264450 2.007520 0.810233 0.642065 -0.849498 -1.209480 1.189375 \n", + " 16 1.189375 2.222372 0.760980 2.910051 0.541912 -1.623434 1.387076 \n", + " 17 1.387076 2.574007 -1.919748 2.212229 1.619475 -0.823243 1.275525 \n", + " 18 1.275525 2.017601 -0.378706 -1.265757 0.749075 0.685087 -1.128821 \n", + " 19 -1.128821 -0.915833 -0.179978 -2.887111 -0.132095 2.580569 -1.327335 \n", + " 20 -1.327335 -2.585495 1.560795 -4.241848 0.482019 1.748742 -3.204303 \n", + " 21 -3.204303 -1.074174 2.096241 -1.162874 -1.593991 0.613191 0.144563 \n", + " 22 0.144563 -0.537143 1.755090 2.378124 -1.368596 -0.599338 1.337847 \n", + " 23 1.337847 0.749565 0.781683 3.463998 0.747103 -0.456918 0.717819 \n", + " 24 0.717819 1.201451 -0.403008 1.437886 2.016549 -0.223259 0.527150 \n", + " 25 0.527150 1.388245 -1.088193 0.655687 2.737307 -1.456805 -0.554375 \n", + " 26 -0.554375 0.299451 -2.794297 -0.781788 2.758973 -1.798071 -2.111096 \n", + " 27 -2.111096 -0.097511 -1.332310 -2.412892 -0.136097 -1.871870 -2.396500 \n", + " 28 -2.396500 0.354146 0.315184 -0.401805 -2.885454 -0.580546 0.208377 \n", + " 29 0.208377 -1.447430 1.841678 -0.129261 -3.917415 1.616208 0.088033 \n", + " 30 0.088033 0.406108 1.856146 0.919164 -1.827482 2.764949 1.468609 \n", + " 31 1.468609 -0.159381 1.803652 1.431928 0.742115 0.700043 0.427356 \n", + " 32 0.427356 0.113598 1.836244 0.815918 4.074457 1.589805 -1.461175 \n", + " 33 -1.461175 0.018267 -0.345085 -1.265947 2.581785 -1.578019 -2.155088 \n", + " 34 -2.155088 -0.277621 -1.940921 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-1.433350 -0.910172 -0.709736 1.333537 1.954243 -1.972797 -2.387494 \n", + " 48 -2.387494 -0.685168 -0.335598 -0.937709 1.028002 -3.557188 -3.000821 \n", + " 49 -3.000821 -1.903805 1.159908 -2.613912 0.032428 -2.373573 0.280007 \n", + " 50 0.280007 0.270466 0.401362 -0.722948 -1.334111 -0.790978 2.290885 \n", + " 51 2.290885 -0.093379 -0.699929 1.259657 -1.032949 1.681134 2.947327 \n", + " 52 2.947327 0.020192 0.547928 3.264041 -0.458351 0.920056 1.191154 \n", + " 53 1.191154 -0.584221 0.479568 3.227536 -0.239292 -0.036841 -0.600755 \n", + " 54 -0.600755 0.040740 -0.235856 0.238024 -1.003765 -1.050830 -1.239057 \n", + " 55 -1.239057 -0.341336 -0.548102 -1.241153 0.149521 -0.718782 -1.806394 \n", + " 56 -1.806394 -1.271543 -2.176711 -2.499480 -0.647990 0.859021 -2.625144 \n", + " 57 -2.625144 -1.181203 -1.585722 -1.714649 -1.823321 1.424358 -0.926857 \n", + " 58 -0.926857 1.681572 -1.871301 -0.547958 -1.965112 1.937728 0.958249 \n", + " 59 0.958249 1.492376 0.035187 3.253533 -1.403905 0.526225 1.680819 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -0.847436 -0.278273 0.545135 2.106799 -0.794775 \n", + " 3 -1.031239 0.100414 0.195353 1.350698 -1.374280 \n", + " 4 -3.385119 -0.627125 -1.113922 0.544791 0.201992 \n", + " 5 -1.230570 -0.389198 -3.349831 -2.162106 -0.722250 \n", + " 6 2.181002 2.638977 -3.359813 -2.142743 1.064337 \n", + " 7 4.141883 2.822959 1.180543 -2.519239 0.986702 \n", + " 8 4.814078 1.987351 2.863999 -1.328904 1.044074 \n", + " 9 1.670988 -0.576043 4.386433 -0.120049 -0.193155 \n", + " 10 -1.415907 -1.692248 2.770817 0.473526 1.608907 \n", + " 11 -2.554664 -3.202153 -0.847273 0.755138 -0.102615 \n", + " 12 -2.481167 0.122136 -2.585281 0.119092 -0.143737 \n", + " 13 0.103333 -0.024137 -1.430397 -2.218930 0.031967 \n", + " 14 2.007520 0.810233 0.642065 -0.849498 -1.209480 \n", + " 15 2.222372 0.760980 2.910051 0.541912 -1.623434 \n", + " 16 2.574007 -1.919748 2.212229 1.619475 -0.823243 \n", + " 17 2.017601 -0.378706 -1.265757 0.749075 0.685087 \n", + " 18 -0.915833 -0.179978 -2.887111 -0.132095 2.580569 \n", + " 19 -2.585495 1.560795 -4.241848 0.482019 1.748742 \n", + " 20 -1.074174 2.096241 -1.162874 -1.593991 0.613191 \n", + " 21 -0.537143 1.755090 2.378124 -1.368596 -0.599338 \n", + " 22 0.749565 0.781683 3.463998 0.747103 -0.456918 \n", + " 23 1.201451 -0.403008 1.437886 2.016549 -0.223259 \n", + " 24 1.388245 -1.088193 0.655687 2.737307 -1.456805 \n", + " 25 0.299451 -2.794297 -0.781788 2.758973 -1.798071 \n", + " 26 -0.097511 -1.332310 -2.412892 -0.136097 -1.871870 \n", + " 27 0.354146 0.315184 -0.401805 -2.885454 -0.580546 \n", + " 28 -1.447430 1.841678 -0.129261 -3.917415 1.616208 \n", + " 29 0.406108 1.856146 0.919164 -1.827482 2.764949 \n", + " 30 -0.159381 1.803652 1.431928 0.742115 0.700043 \n", + " 31 0.113598 1.836244 0.815918 4.074457 1.589805 \n", + " 32 0.018267 -0.345085 -1.265947 2.581785 -1.578019 \n", + " 33 -0.277621 -1.940921 -4.149291 0.271913 -2.205629 \n", + " 34 -0.547103 -1.950063 -2.710894 -1.951336 -1.110367 \n", + " 35 -0.451766 -1.598980 -0.581118 -3.473710 2.125484 \n", + " 36 0.014490 0.476943 0.998908 -2.728791 4.620958 \n", + " 37 -0.984509 0.362643 1.971051 -0.002594 2.448244 \n", + " 38 -2.563352 0.388249 0.479946 2.647648 -2.239033 \n", + " 39 -1.999286 0.543244 0.078520 3.511208 -1.110215 \n", + " 40 -0.219773 -1.328260 0.181743 1.786630 -2.506821 \n", + " 41 -0.194779 -1.412451 -2.711620 -1.315296 -1.243275 \n", + " 42 0.248179 -1.303141 -2.267129 -3.978581 -0.554190 \n", + " 43 -0.334630 -0.991370 -0.803878 -1.842561 2.501365 \n", + " 44 -1.733933 0.302968 1.034515 -0.767585 3.138789 \n", + " 45 -1.278915 -0.766247 3.401751 1.557667 0.461622 \n", + " 46 -0.910172 -0.709736 1.333537 1.954243 -1.972797 \n", + " 47 -0.685168 -0.335598 -0.937709 1.028002 -3.557188 \n", + " 48 -1.903805 1.159908 -2.613912 0.032428 -2.373573 \n", + " 49 0.270466 0.401362 -0.722948 -1.334111 -0.790978 \n", + " 50 -0.093379 -0.699929 1.259657 -1.032949 1.681134 \n", + " 51 0.020192 0.547928 3.264041 -0.458351 0.920056 \n", + " 52 -0.584221 0.479568 3.227536 -0.239292 -0.036841 \n", + " 53 0.040740 -0.235856 0.238024 -1.003765 -1.050830 \n", + " 54 -0.341336 -0.548102 -1.241153 0.149521 -0.718782 \n", + " 55 -1.271543 -2.176711 -2.499480 -0.647990 0.859021 \n", + " 56 -1.181203 -1.585722 -1.714649 -1.823321 1.424358 \n", + " 57 1.681572 -1.871301 -0.547958 -1.965112 1.937728 \n", + " 58 1.492376 0.035187 3.253533 -1.403905 0.526225 \n", + " 59 -0.681254 2.627465 3.273730 0.650328 -0.936166 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.793371 \n", + " 3 0.793371 0.608335 0.208686 0.942131 2.145063 -0.065746 0.464415 \n", + " 4 0.464415 -1.595897 0.381543 0.471252 1.535372 0.554212 0.672581 \n", + " 5 0.672581 -1.956747 0.310841 -0.044498 -0.126130 -0.345939 -1.042629 \n", + " 6 -1.042629 -1.384134 -0.169805 -1.481318 -1.734152 -0.367946 -3.236271 \n", + " 7 -3.236271 -0.407939 -1.673839 0.069372 -1.912075 1.109855 -2.516138 \n", + " 8 -2.516138 3.159580 -1.354433 -1.683644 -0.439921 1.860357 -0.399159 \n", + " 9 -0.399159 2.030101 1.014626 0.279794 0.851410 1.408939 0.980192 \n", + " 10 0.980192 -0.114218 1.813768 1.032230 1.550666 1.399924 0.772359 \n", + " 11 0.772359 -3.959822 1.813335 -0.348898 2.213738 -0.162223 0.365926 \n", + " 12 0.365926 -4.423380 0.885547 0.440532 1.782477 -0.976892 0.471646 \n", + " 13 0.471646 -1.784810 -0.209103 0.207151 0.576965 -2.923816 1.502674 \n", + " 14 1.502674 -0.014598 -1.242692 -0.621647 -1.438182 -2.972891 0.849494 \n", + " 15 0.849494 1.153701 -1.158876 -1.195763 -3.760800 1.708691 -1.290783 \n", + " 16 -1.290783 0.828463 -0.133560 -0.681088 -1.454799 4.202581 -1.937294 \n", + " 17 -1.937294 -0.496711 -0.006237 0.549601 1.536175 3.993592 -1.218828 \n", + " 18 -1.218828 1.072942 0.070126 1.928189 3.008027 1.116213 1.063524 \n", + " 19 1.063524 1.797757 1.851830 2.656858 1.470288 -1.271801 1.418172 \n", + " 20 1.418172 -0.357979 2.074578 0.046107 -0.147413 -1.753947 3.032501 \n", + " 21 3.032501 -0.716845 -0.173010 -2.771846 -2.368830 -1.137771 2.923799 \n", + " 22 2.923799 -3.063422 -0.129454 -0.060246 -3.708240 -0.081059 -0.456545 \n", + " 23 -0.456545 0.651754 -1.802367 -0.496343 -1.561712 0.637790 -4.979914 \n", + " 24 -4.979914 2.252749 -2.520033 2.513091 1.007096 0.352099 -5.605508 \n", + " 25 -5.605508 2.206723 -0.039359 2.241955 2.367193 0.318434 -2.131946 \n", + " 26 -2.131946 1.726985 0.297870 0.503604 2.352734 -1.321772 1.892535 \n", + " 27 1.892535 1.342429 0.762439 -1.865909 0.601285 -1.730692 5.636019 \n", + " 28 5.636019 -1.158710 0.415281 -2.396944 -1.436076 -0.097324 5.308845 \n", + " 29 5.308845 -3.089888 1.304803 -1.526540 -2.465528 -0.161738 1.176261 \n", + " 30 1.176261 -1.704137 0.677547 0.684592 -1.983843 -0.615182 -3.823867 \n", + " 31 -3.823867 1.349050 -0.899190 3.585668 0.820113 -0.235968 -4.622256 \n", + " 32 -4.622256 2.534820 -2.409223 4.004888 1.445552 1.723270 -3.296507 \n", + " 33 -3.296507 1.524698 -2.603104 1.416038 1.003187 1.214698 0.483016 \n", + " 34 0.483016 -1.442745 -0.287117 0.580666 -0.224273 -0.147466 3.307090 \n", + " 35 3.307090 -4.259868 1.572156 -0.021053 0.706047 -1.378558 2.752236 \n", + " 36 2.752236 -4.832743 1.206406 -1.947347 1.336389 -0.033368 1.550099 \n", + " 37 1.550099 -1.680879 1.055807 -0.982311 1.125345 0.814200 -1.632859 \n", + " 38 -1.632859 2.707793 0.108402 -1.484506 -0.042804 0.056064 -2.475914 \n", + " 39 -2.475914 5.060751 -0.621968 0.045641 1.811857 -0.864321 -1.927172 \n", + " 40 -1.927172 4.484835 -1.635428 1.191521 -0.529561 -0.029963 -0.824528 \n", + " 41 -0.824528 -2.233544 -1.932808 2.702040 -2.178212 0.027159 0.661268 \n", + " 42 0.661268 -6.455648 0.169583 0.056700 -2.163362 1.514827 1.579963 \n", + " 43 1.579963 -6.784376 -0.215155 -1.593190 -1.461479 0.996294 2.418780 \n", + " 44 2.418780 -1.916516 1.887615 -1.883524 1.426236 -1.037335 1.446377 \n", + " 45 1.446377 3.758609 0.568907 -2.628826 3.022537 -2.293202 -0.491753 \n", + " 46 -0.491753 5.169153 0.459038 0.905661 2.295063 -2.870374 -1.733002 \n", + " 47 -1.733002 4.449033 -0.546867 0.346558 -1.310735 -1.248370 -2.730158 \n", + " 48 -2.730158 0.292311 -2.036547 2.170211 -2.061413 1.543632 -0.667074 \n", + " 49 -0.667074 -3.647191 -1.843267 -0.243427 -1.246530 3.631967 0.941462 \n", + " 50 0.941462 -5.030188 0.442262 -1.215539 -0.504955 0.831587 1.512501 \n", + " 51 1.512501 -1.527273 0.900074 -2.271377 -1.096260 -1.360456 2.902767 \n", + " 52 2.902767 0.829820 -0.769296 -0.904424 -1.652751 -3.971079 2.151003 \n", + " 53 2.151003 3.037088 -1.953894 -0.330578 -0.053917 -2.438828 -0.357144 \n", + " 54 -0.357144 3.205364 -2.722246 -0.111124 1.885987 -1.873833 -3.177244 \n", + " 55 -3.177244 1.433639 -2.321680 -0.057201 2.525003 -0.398746 -5.282097 \n", + " 56 -5.282097 0.240568 1.137409 0.260235 1.267374 2.292521 -2.792515 \n", + " 57 -2.792515 -0.469249 1.940198 0.830350 0.256088 0.086278 -1.207954 \n", + " 58 -1.207954 -2.076796 1.588942 0.601623 -1.848804 -1.013250 2.067723 \n", + " 59 2.067723 -1.938729 0.624910 0.871970 -1.797465 -0.524791 1.823529 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.608335 0.208686 0.942131 2.145063 -0.065746 \n", + " 3 -1.595897 0.381543 0.471252 1.535372 0.554212 \n", + " 4 -1.956747 0.310841 -0.044498 -0.126130 -0.345939 \n", + " 5 -1.384134 -0.169805 -1.481318 -1.734152 -0.367946 \n", + " 6 -0.407939 -1.673839 0.069372 -1.912075 1.109855 \n", + " 7 3.159580 -1.354433 -1.683644 -0.439921 1.860357 \n", + " 8 2.030101 1.014626 0.279794 0.851410 1.408939 \n", + " 9 -0.114218 1.813768 1.032230 1.550666 1.399924 \n", + " 10 -3.959822 1.813335 -0.348898 2.213738 -0.162223 \n", + " 11 -4.423380 0.885547 0.440532 1.782477 -0.976892 \n", + " 12 -1.784810 -0.209103 0.207151 0.576965 -2.923816 \n", + " 13 -0.014598 -1.242692 -0.621647 -1.438182 -2.972891 \n", + " 14 1.153701 -1.158876 -1.195763 -3.760800 1.708691 \n", + " 15 0.828463 -0.133560 -0.681088 -1.454799 4.202581 \n", + " 16 -0.496711 -0.006237 0.549601 1.536175 3.993592 \n", + " 17 1.072942 0.070126 1.928189 3.008027 1.116213 \n", + " 18 1.797757 1.851830 2.656858 1.470288 -1.271801 \n", + " 19 -0.357979 2.074578 0.046107 -0.147413 -1.753947 \n", + " 20 -0.716845 -0.173010 -2.771846 -2.368830 -1.137771 \n", + " 21 -3.063422 -0.129454 -0.060246 -3.708240 -0.081059 \n", + " 22 0.651754 -1.802367 -0.496343 -1.561712 0.637790 \n", + " 23 2.252749 -2.520033 2.513091 1.007096 0.352099 \n", + " 24 2.206723 -0.039359 2.241955 2.367193 0.318434 \n", + " 25 1.726985 0.297870 0.503604 2.352734 -1.321772 \n", + " 26 1.342429 0.762439 -1.865909 0.601285 -1.730692 \n", + " 27 -1.158710 0.415281 -2.396944 -1.436076 -0.097324 \n", + " 28 -3.089888 1.304803 -1.526540 -2.465528 -0.161738 \n", + " 29 -1.704137 0.677547 0.684592 -1.983843 -0.615182 \n", + " 30 1.349050 -0.899190 3.585668 0.820113 -0.235968 \n", + " 31 2.534820 -2.409223 4.004888 1.445552 1.723270 \n", + " 32 1.524698 -2.603104 1.416038 1.003187 1.214698 \n", + " 33 -1.442745 -0.287117 0.580666 -0.224273 -0.147466 \n", + " 34 -4.259868 1.572156 -0.021053 0.706047 -1.378558 \n", + " 35 -4.832743 1.206406 -1.947347 1.336389 -0.033368 \n", + " 36 -1.680879 1.055807 -0.982311 1.125345 0.814200 \n", + " 37 2.707793 0.108402 -1.484506 -0.042804 0.056064 \n", + " 38 5.060751 -0.621968 0.045641 1.811857 -0.864321 \n", + " 39 4.484835 -1.635428 1.191521 -0.529561 -0.029963 \n", + " 40 -2.233544 -1.932808 2.702040 -2.178212 0.027159 \n", + " 41 -6.455648 0.169583 0.056700 -2.163362 1.514827 \n", + " 42 -6.784376 -0.215155 -1.593190 -1.461479 0.996294 \n", + " 43 -1.916516 1.887615 -1.883524 1.426236 -1.037335 \n", + " 44 3.758609 0.568907 -2.628826 3.022537 -2.293202 \n", + " 45 5.169153 0.459038 0.905661 2.295063 -2.870374 \n", + " 46 4.449033 -0.546867 0.346558 -1.310735 -1.248370 \n", + " 47 0.292311 -2.036547 2.170211 -2.061413 1.543632 \n", + " 48 -3.647191 -1.843267 -0.243427 -1.246530 3.631967 \n", + " 49 -5.030188 0.442262 -1.215539 -0.504955 0.831587 \n", + " 50 -1.527273 0.900074 -2.271377 -1.096260 -1.360456 \n", + " 51 0.829820 -0.769296 -0.904424 -1.652751 -3.971079 \n", + " 52 3.037088 -1.953894 -0.330578 -0.053917 -2.438828 \n", + " 53 3.205364 -2.722246 -0.111124 1.885987 -1.873833 \n", + " 54 1.433639 -2.321680 -0.057201 2.525003 -0.398746 \n", + " 55 0.240568 1.137409 0.260235 1.267374 2.292521 \n", + " 56 -0.469249 1.940198 0.830350 0.256088 0.086278 \n", + " 57 -2.076796 1.588942 0.601623 -1.848804 -1.013250 \n", + " 58 -1.938729 0.624910 0.871970 -1.797465 -0.524791 \n", + " 59 -1.293195 -0.172053 1.729222 0.207518 1.370205 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.322532 \n", + " 3 1.322532 0.332667 1.678036 -0.689670 -0.192008 0.550002 0.739558 \n", + " 4 0.739558 -0.543066 0.838718 -1.631112 -0.679348 1.741413 -2.286368 \n", + " 5 -2.286368 -1.039440 0.725835 -0.891652 -0.959269 -1.173897 -2.766633 \n", + " 6 -2.766633 -1.037867 -0.412836 1.095332 -2.207265 -1.517434 -1.393229 \n", + " 7 -1.393229 0.415098 -1.332202 2.031445 -0.590461 1.127137 1.015543 \n", + " 8 1.015543 0.076206 -1.734752 1.132282 2.621008 1.032048 2.043008 \n", + " 9 2.043008 1.091994 -1.535310 0.102922 4.768402 1.704083 1.936615 \n", + " 10 1.936615 -0.219863 0.644751 0.153977 2.153377 -0.184982 0.714044 \n", + " 11 0.714044 -1.505539 3.081999 -0.695149 -0.837263 -2.081460 -1.237133 \n", + " 12 -1.237133 -1.293946 4.015182 0.271713 -1.957281 -1.152421 -2.505862 \n", + " 13 -2.505862 -2.001422 1.029024 0.905472 -3.316382 1.209011 -1.567601 \n", + " 14 -1.567601 0.175075 -2.529015 2.271522 -1.554583 1.431295 0.227771 \n", + " 15 0.227771 1.131641 -4.116638 0.579631 -0.717962 2.135219 0.893001 \n", + " 16 0.893001 1.058405 -2.798881 -0.419234 0.246218 0.037876 -0.696257 \n", + " 17 -0.696257 1.023343 1.078114 -2.275281 1.643902 1.254538 -0.193110 \n", + " 18 -0.193110 0.717265 2.232613 -2.733490 2.860697 1.212339 0.095952 \n", + " 19 0.095952 -3.335699 2.770085 0.853922 1.106641 -0.401924 -0.390264 \n", + " 20 -0.390264 -2.454546 2.397183 1.934993 0.267294 -1.597676 -1.688269 \n", + " 21 -1.688269 0.020745 0.494584 3.091440 -0.293332 -2.696207 -0.144838 \n", + " 22 -0.144838 1.304572 -0.776458 -0.126885 1.072221 -1.199894 -0.053507 \n", + " 23 -0.053507 1.187904 -3.224938 -1.900279 0.149262 2.186241 0.785830 \n", + " 24 0.785830 -1.021836 -2.151377 -3.589886 1.673073 4.069043 0.156049 \n", + " 25 0.156049 -0.203565 -0.308052 -2.268071 1.205659 3.309197 -1.661289 \n", + " 26 -1.661289 0.360800 3.744381 -0.534776 1.495934 1.958348 -0.934161 \n", + " 27 -0.934161 0.452210 4.049408 1.590588 -0.477321 -0.468865 0.138018 \n", + " 28 0.138018 -0.137893 1.182444 2.644357 0.115757 -2.370508 2.136972 \n", + " 29 2.136972 -0.471783 -1.596433 3.729727 1.091953 -0.521513 2.109349 \n", + " 30 2.109349 -0.576922 -2.698675 1.682337 3.086079 2.099681 0.662083 \n", + " 31 0.662083 1.053891 -2.054332 -1.528828 1.987240 1.201330 -0.651751 \n", + " 32 -0.651751 0.945190 -0.990162 -3.829287 0.832601 0.700351 -1.725940 \n", + " 33 -1.725940 0.601636 1.622118 -3.035782 -1.894465 0.063061 -0.751267 \n", + " 34 -0.751267 1.340555 1.592067 1.711210 -2.464272 -2.279823 0.464628 \n", + " 35 0.464628 -0.575278 -0.684803 3.026648 -2.062799 -1.795708 0.206633 \n", + " 36 0.206633 -1.763200 -3.405665 3.760908 1.958906 -2.030120 -0.573121 \n", + " 37 -0.573121 -2.536734 -3.809633 0.829114 2.233373 -1.272391 -0.393744 \n", + " 38 -0.393744 -1.443982 -0.707322 -1.824702 1.346946 0.473275 -0.908075 \n", + " 39 -0.908075 -0.316702 3.156568 -3.544777 -1.887190 0.403255 -1.247911 \n", + " 40 -1.247911 0.875755 3.715150 -1.139747 -4.217030 -0.168784 -0.487875 \n", + " 41 -0.487875 3.080501 1.332463 -0.773349 -3.574228 -2.580160 -0.481708 \n", + " 42 -0.481708 2.374871 -1.390789 -0.458968 -1.488437 -0.449280 1.658219 \n", + " 43 1.658219 1.252663 -2.857591 0.327432 0.904480 -0.589262 -0.879878 \n", + " 44 -0.879878 -2.262663 -3.348756 0.251206 2.558032 0.823673 -1.139168 \n", + " 45 -1.139168 -0.856331 -0.388905 0.557088 2.259860 2.696675 -1.943498 \n", + " 46 -1.943498 -1.297744 1.759379 0.165125 -0.128898 1.047361 -0.621448 \n", + " 47 -0.621448 2.044682 2.078604 1.941375 -1.007169 0.510777 0.081835 \n", + " 48 0.081835 0.729727 1.642461 -0.006233 -1.302358 -1.372175 0.975011 \n", + " 49 0.975011 1.661138 0.679843 -0.472245 -1.657414 -1.311899 2.075272 \n", + " 50 2.075272 -1.145632 -0.134422 -0.903139 -0.018928 -0.589234 -0.317225 \n", + " 51 -0.317225 -4.114876 -2.149568 0.563834 2.389864 0.786365 -1.866157 \n", + " 52 -1.866157 -4.228543 -2.623100 1.034966 0.468015 -0.125892 -3.034263 \n", + " 53 -3.034263 -1.669892 -1.916834 -1.764261 -0.329328 0.011596 -0.018199 \n", + " 54 -0.018199 0.687086 0.711771 -3.764756 -1.058475 1.029497 3.060504 \n", + " 55 3.060504 1.385899 1.671142 -2.112558 -0.266306 0.715543 2.492517 \n", + " 56 2.492517 0.308928 0.424200 0.642294 1.173743 -0.255359 0.056518 \n", + " 57 0.056518 -0.657440 -1.200107 0.317737 1.655915 -0.079394 -2.057824 \n", + " 58 -2.057824 -1.962698 -0.923343 2.222198 1.185334 -0.024114 -2.821504 \n", + " 59 -2.821504 -1.408864 -0.295661 2.542928 -0.359368 0.354744 -1.259116 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.332667 1.678036 -0.689670 -0.192008 0.550002 \n", + " 3 -0.543066 0.838718 -1.631112 -0.679348 1.741413 \n", + " 4 -1.039440 0.725835 -0.891652 -0.959269 -1.173897 \n", + " 5 -1.037867 -0.412836 1.095332 -2.207265 -1.517434 \n", + " 6 0.415098 -1.332202 2.031445 -0.590461 1.127137 \n", + " 7 0.076206 -1.734752 1.132282 2.621008 1.032048 \n", + " 8 1.091994 -1.535310 0.102922 4.768402 1.704083 \n", + " 9 -0.219863 0.644751 0.153977 2.153377 -0.184982 \n", + " 10 -1.505539 3.081999 -0.695149 -0.837263 -2.081460 \n", + " 11 -1.293946 4.015182 0.271713 -1.957281 -1.152421 \n", + " 12 -2.001422 1.029024 0.905472 -3.316382 1.209011 \n", + " 13 0.175075 -2.529015 2.271522 -1.554583 1.431295 \n", + " 14 1.131641 -4.116638 0.579631 -0.717962 2.135219 \n", + " 15 1.058405 -2.798881 -0.419234 0.246218 0.037876 \n", + " 16 1.023343 1.078114 -2.275281 1.643902 1.254538 \n", + " 17 0.717265 2.232613 -2.733490 2.860697 1.212339 \n", + " 18 -3.335699 2.770085 0.853922 1.106641 -0.401924 \n", + " 19 -2.454546 2.397183 1.934993 0.267294 -1.597676 \n", + " 20 0.020745 0.494584 3.091440 -0.293332 -2.696207 \n", + " 21 1.304572 -0.776458 -0.126885 1.072221 -1.199894 \n", + " 22 1.187904 -3.224938 -1.900279 0.149262 2.186241 \n", + " 23 -1.021836 -2.151377 -3.589886 1.673073 4.069043 \n", + " 24 -0.203565 -0.308052 -2.268071 1.205659 3.309197 \n", + " 25 0.360800 3.744381 -0.534776 1.495934 1.958348 \n", + " 26 0.452210 4.049408 1.590588 -0.477321 -0.468865 \n", + " 27 -0.137893 1.182444 2.644357 0.115757 -2.370508 \n", + " 28 -0.471783 -1.596433 3.729727 1.091953 -0.521513 \n", + " 29 -0.576922 -2.698675 1.682337 3.086079 2.099681 \n", + " 30 1.053891 -2.054332 -1.528828 1.987240 1.201330 \n", + " 31 0.945190 -0.990162 -3.829287 0.832601 0.700351 \n", + " 32 0.601636 1.622118 -3.035782 -1.894465 0.063061 \n", + " 33 1.340555 1.592067 1.711210 -2.464272 -2.279823 \n", + " 34 -0.575278 -0.684803 3.026648 -2.062799 -1.795708 \n", + " 35 -1.763200 -3.405665 3.760908 1.958906 -2.030120 \n", + " 36 -2.536734 -3.809633 0.829114 2.233373 -1.272391 \n", + " 37 -1.443982 -0.707322 -1.824702 1.346946 0.473275 \n", + " 38 -0.316702 3.156568 -3.544777 -1.887190 0.403255 \n", + " 39 0.875755 3.715150 -1.139747 -4.217030 -0.168784 \n", + " 40 3.080501 1.332463 -0.773349 -3.574228 -2.580160 \n", + " 41 2.374871 -1.390789 -0.458968 -1.488437 -0.449280 \n", + " 42 1.252663 -2.857591 0.327432 0.904480 -0.589262 \n", + " 43 -2.262663 -3.348756 0.251206 2.558032 0.823673 \n", + " 44 -0.856331 -0.388905 0.557088 2.259860 2.696675 \n", + " 45 -1.297744 1.759379 0.165125 -0.128898 1.047361 \n", + " 46 2.044682 2.078604 1.941375 -1.007169 0.510777 \n", + " 47 0.729727 1.642461 -0.006233 -1.302358 -1.372175 \n", + " 48 1.661138 0.679843 -0.472245 -1.657414 -1.311899 \n", + " 49 -1.145632 -0.134422 -0.903139 -0.018928 -0.589234 \n", + " 50 -4.114876 -2.149568 0.563834 2.389864 0.786365 \n", + " 51 -4.228543 -2.623100 1.034966 0.468015 -0.125892 \n", + " 52 -1.669892 -1.916834 -1.764261 -0.329328 0.011596 \n", + " 53 0.687086 0.711771 -3.764756 -1.058475 1.029497 \n", + " 54 1.385899 1.671142 -2.112558 -0.266306 0.715543 \n", + " 55 0.308928 0.424200 0.642294 1.173743 -0.255359 \n", + " 56 -0.657440 -1.200107 0.317737 1.655915 -0.079394 \n", + " 57 -1.962698 -0.923343 2.222198 1.185334 -0.024114 \n", + " 58 -1.408864 -0.295661 2.542928 -0.359368 0.354744 \n", + " 59 -0.385834 1.429974 0.201847 -2.462000 0.740260 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -0.520293 \n", + " 3 -0.520293 -0.109723 1.956390 -0.406698 0.204323 2.158707 -1.477633 \n", + " 4 -1.477633 -0.249755 3.145191 -1.872890 0.068890 0.814987 -3.566931 \n", + " 5 -3.566931 -0.681099 -0.726035 -0.530626 -0.748546 -2.599318 -0.182526 \n", + " 6 -0.182526 -1.187291 -1.923037 0.139579 -0.456426 -2.636434 2.502830 \n", + " 7 2.502830 -1.087055 -2.340590 1.704102 -0.723720 -1.568220 3.059286 \n", + " 8 3.059286 -0.025931 -1.361574 1.705092 -1.448196 1.192026 1.117809 \n", + " 9 1.117809 0.272561 0.297855 2.075133 -1.198339 3.273527 -1.378365 \n", + " 10 -1.378365 0.309555 1.039707 0.166827 0.692491 2.756655 -3.206142 \n", + " 11 -3.206142 0.031429 1.395998 -2.237233 0.815522 0.646515 -2.295338 \n", + " 12 -2.295338 0.673692 0.201508 -3.840153 0.750421 -1.663495 0.050681 \n", + " 13 0.050681 1.631110 -2.670788 -1.518462 1.112364 -3.471314 1.494536 \n", + " 14 1.494536 -0.359936 -1.289608 1.267056 0.005452 -2.101436 2.187118 \n", + " 15 2.187118 -1.741496 -0.116780 3.106709 -1.142208 -0.869615 0.563625 \n", + " 16 0.563625 -2.526395 1.614472 1.725591 0.057326 2.666487 -0.160209 \n", + " 17 -0.160209 -1.518668 2.154205 0.786935 1.495887 2.240553 -1.899237 \n", + " 18 -1.899237 1.355525 1.207416 -1.649485 1.454943 2.266537 -0.772245 \n", + " 19 -0.772245 3.884840 0.367314 -0.298820 0.725941 -0.320434 -0.997508 \n", + " 20 -0.997508 1.699563 -0.367988 0.274988 -0.677102 -1.985275 0.644183 \n", + " 21 0.644183 0.708916 0.552751 0.631237 -2.013854 -3.874495 1.385487 \n", + " 22 1.385487 -1.714540 -1.064707 -2.163864 -1.063695 -2.216635 -0.070533 \n", + " 23 -0.070533 -2.161338 -1.120923 -1.966759 0.102941 0.930983 1.089012 \n", + " 24 1.089012 -1.991172 -0.721443 -1.458312 2.282982 2.813257 0.662479 \n", + " 25 0.662479 0.532299 -0.410358 0.824656 2.179484 2.967591 2.336025 \n", + " 26 2.336025 1.009821 -0.354782 0.955574 3.099191 0.147491 1.211220 \n", + " 27 1.211220 3.628663 -0.130757 -0.631935 1.664723 -1.325695 -0.881373 \n", + " 28 -0.881373 1.843229 -0.709342 -0.517911 -1.656955 -2.264833 -1.824950 \n", + " 29 -1.824950 -0.616835 -1.119329 0.805693 -3.868187 -2.817207 -2.341656 \n", + " 30 -2.341656 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\n", + " 43 -3.868005 -2.850175 -1.090027 1.084149 -1.962063 -0.640512 -4.159407 \n", + " 44 -4.159407 -2.732292 1.271256 2.408177 -2.242937 1.130697 -1.394308 \n", + " 45 -1.394308 -0.905164 2.089798 1.466105 -1.487153 1.213567 1.264785 \n", + " 46 1.264785 0.611125 0.261792 0.021143 -0.262568 1.364966 3.446130 \n", + " 47 3.446130 1.593971 -1.296559 -0.924616 1.371395 -0.453440 2.403719 \n", + " 48 2.403719 -0.529872 -2.281316 -1.807695 1.724627 0.145439 1.810803 \n", + " 49 1.810803 -1.965396 -0.649996 -0.475454 0.253547 0.444446 -0.189173 \n", + " 50 -0.189173 -0.734198 0.208445 0.788400 -1.853269 -0.377664 -2.762137 \n", + " 51 -2.762137 0.836875 0.165788 -0.908795 -2.344198 -0.558292 -1.468809 \n", + " 52 -1.468809 1.274295 1.831221 -0.497523 0.297553 -1.065603 0.649195 \n", + " 53 0.649195 1.930387 1.782486 0.791763 1.606153 0.399564 1.152579 \n", + " 54 1.152579 2.143894 1.350928 1.440569 4.128145 0.637437 1.162106 \n", + " 55 1.162106 0.362025 0.496611 0.420047 1.800464 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2.756655 \n", + " 10 0.031429 1.395998 -2.237233 0.815522 0.646515 \n", + " 11 0.673692 0.201508 -3.840153 0.750421 -1.663495 \n", + " 12 1.631110 -2.670788 -1.518462 1.112364 -3.471314 \n", + " 13 -0.359936 -1.289608 1.267056 0.005452 -2.101436 \n", + " 14 -1.741496 -0.116780 3.106709 -1.142208 -0.869615 \n", + " 15 -2.526395 1.614472 1.725591 0.057326 2.666487 \n", + " 16 -1.518668 2.154205 0.786935 1.495887 2.240553 \n", + " 17 1.355525 1.207416 -1.649485 1.454943 2.266537 \n", + " 18 3.884840 0.367314 -0.298820 0.725941 -0.320434 \n", + " 19 1.699563 -0.367988 0.274988 -0.677102 -1.985275 \n", + " 20 0.708916 0.552751 0.631237 -2.013854 -3.874495 \n", + " 21 -1.714540 -1.064707 -2.163864 -1.063695 -2.216635 \n", + " 22 -2.161338 -1.120923 -1.966759 0.102941 0.930983 \n", + " 23 -1.991172 -0.721443 -1.458312 2.282982 2.813257 \n", + " 24 0.532299 -0.410358 0.824656 2.179484 2.967591 \n", + " 25 1.009821 -0.354782 0.955574 3.099191 0.147491 \n", + " 26 3.628663 -0.130757 -0.631935 1.664723 -1.325695 \n", + " 27 1.843229 -0.709342 -0.517911 -1.656955 -2.264833 \n", + " 28 -0.616835 -1.119329 0.805693 -3.868187 -2.817207 \n", + " 29 -3.554203 -1.570185 1.766644 -4.865877 -0.919582 \n", + " 30 -4.257360 -0.418469 2.307599 -2.187351 0.963567 \n", + " 31 -0.119455 -0.281621 0.783234 0.393718 1.545330 \n", + " 32 2.878741 0.150550 -2.180582 3.150340 0.726139 \n", + " 33 4.045855 0.673327 -3.695125 3.024373 -0.248885 \n", + " 34 1.820807 1.602962 -2.605067 2.059776 -2.151407 \n", + " 35 -0.440143 -0.590595 1.852935 -1.406104 -4.160708 \n", + " 36 -3.174812 -0.291751 4.630328 -1.580882 -0.958740 \n", + " 37 -1.563825 0.278739 2.897067 -1.391597 1.994374 \n", + " 38 0.441341 2.033921 -1.264514 -0.685457 2.212074 \n", + " 39 1.801959 -0.441788 -3.471700 1.980183 1.442989 \n", + " 40 1.513950 -2.583184 -2.865498 1.549641 -1.146023 \n", + " 41 -2.061701 -1.797754 -0.527448 0.942418 -0.684837 \n", + " 42 -2.850175 -1.090027 1.084149 -1.962063 -0.640512 \n", + " 43 -2.732292 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position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 2.281756 \n", + " 3 2.281756 -0.104726 0.989979 0.182413 0.685058 0.595518 0.529073 \n", + " 4 0.529073 -0.782835 -0.924510 -0.808929 -1.441714 -0.617369 -1.315565 \n", + " 5 -1.315565 -1.696619 -0.320573 -0.567488 -2.017620 -0.435067 -1.641931 \n", + " 6 -1.641931 -1.792124 0.257259 0.085120 -1.746782 0.160893 -0.676535 \n", + " 7 -0.676535 -0.891331 2.489812 0.454530 -1.032013 0.827485 0.276114 \n", + " 8 0.276114 -0.841488 3.011731 0.620245 1.670192 -0.004846 0.320733 \n", + " 9 0.320733 1.523393 0.480012 -0.780799 2.722037 -0.064361 1.037821 \n", + " 10 1.037821 1.747199 -0.561979 -1.919763 3.191223 -0.448447 0.914247 \n", + " 11 0.914247 0.839933 -4.056442 -2.777253 1.251910 -0.109725 -0.019356 \n", + 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0.385494 -0.192049 \n", + " 25 -0.192049 -0.702262 -5.385245 0.095841 -4.214576 3.590180 -0.376886 \n", + " 26 -0.376886 -2.710419 -3.168278 -1.796347 -5.814152 3.814368 0.530634 \n", + " 27 0.530634 -2.591355 2.089775 -0.411734 -1.913852 1.874913 1.272804 \n", + " 28 1.272804 1.628381 3.499556 0.777606 1.175932 -0.028875 1.635186 \n", + " 29 1.635186 3.825824 3.595698 2.611568 3.332857 -2.759503 -0.828159 \n", + " 30 -0.828159 1.381723 0.973025 3.630879 -0.418111 -0.360515 -0.930423 \n", + " 31 -0.930423 -1.646350 -1.027102 2.819585 -0.765748 1.014899 -2.168143 \n", + " 32 -2.168143 -4.428064 -1.428197 -0.531788 -1.746798 3.145738 -0.771254 \n", + " 33 -0.771254 -1.898376 0.377410 -2.823518 -1.547244 2.207226 0.397565 \n", + " 34 0.397565 0.892250 2.085340 -1.446977 -0.710798 1.364985 2.385935 \n", + " 35 2.385935 4.984096 0.147903 -0.754425 1.856307 -0.756861 1.248256 \n", + " 36 1.248256 3.832764 -0.968160 1.251553 2.390711 -3.324401 -0.796673 \n", + " 37 -0.796673 -0.002295 -1.445334 1.672072 1.504757 -3.670904 -1.851139 \n", + " 38 -1.851139 -4.401388 -1.374624 2.615130 1.224281 -0.253406 -2.338516 \n", + " 39 -2.338516 -4.971035 -0.163798 -0.557883 -0.149866 1.779794 -1.727167 \n", + " 40 -1.727167 -4.149742 0.969136 -1.604806 -0.083507 2.563173 0.906981 \n", + " 41 0.906981 1.678084 1.206301 -3.467221 2.469091 0.903672 2.632122 \n", + " 42 2.632122 5.066601 0.744050 -1.715261 4.219725 -0.167695 2.705780 \n", + " 43 2.705780 3.664931 -0.655162 0.658072 1.172909 -1.588681 -0.035474 \n", + " 44 -0.035474 -1.244256 -1.779374 1.240049 -0.861999 -2.541918 -2.567140 \n", + " 45 -2.567140 -2.688780 -0.978329 1.082621 -3.932257 -0.742091 -4.179312 \n", + " 46 -4.179312 -3.300514 0.844656 -0.593382 -1.922872 0.345041 -2.185247 \n", + " 47 -2.185247 -0.924125 0.675608 -2.409111 1.955821 -0.451554 2.130057 \n", + " 48 2.130057 2.696849 1.521502 -1.168165 4.679710 -0.407939 3.710439 \n", + " 49 3.710439 4.615198 -0.997355 0.611524 1.073172 -0.848433 4.361181 \n", + " 50 4.361181 2.384417 -2.918789 3.838661 -1.488791 -0.731633 0.586905 \n", + " 51 0.586905 -0.507198 -3.471601 1.377895 -4.074080 -0.395263 -1.952877 \n", + " 52 -1.952877 -3.485944 -0.659707 -0.154230 -3.225369 0.076521 -2.216809 \n", + " 53 -2.216809 -2.126139 2.531549 -2.456302 -1.107862 -0.356736 -1.681330 \n", + " 54 -1.681330 -0.564192 3.871429 -2.344982 2.001984 1.001094 1.322811 \n", + " 55 1.322811 2.273654 2.694155 -1.255781 5.092055 1.228220 2.649471 \n", + " 56 2.649471 3.995451 -1.164373 -0.364397 4.019769 0.402438 1.538526 \n", + " 57 1.538526 1.566843 -3.343593 1.047361 -1.405118 -0.604568 2.022173 \n", + " 58 2.022173 -0.113094 -2.921378 0.187850 -4.220116 -0.270801 -0.961754 \n", + " 59 -0.961754 -1.618235 0.724721 0.188169 -3.541615 -1.983905 -3.187256 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -0.104726 0.989979 0.182413 0.685058 0.595518 \n", + " 3 -0.782835 -0.924510 -0.808929 -1.441714 -0.617369 \n", + " 4 -1.696619 -0.320573 -0.567488 -2.017620 -0.435067 \n", + " 5 -1.792124 0.257259 0.085120 -1.746782 0.160893 \n", + " 6 -0.891331 2.489812 0.454530 -1.032013 0.827485 \n", + " 7 -0.841488 3.011731 0.620245 1.670192 -0.004846 \n", + " 8 1.523393 0.480012 -0.780799 2.722037 -0.064361 \n", + " 9 1.747199 -0.561979 -1.919763 3.191223 -0.448447 \n", + " 10 0.839933 -4.056442 -2.777253 1.251910 -0.109725 \n", + " 11 -2.250154 -2.272770 -0.719598 -3.494035 -0.079461 \n", + " 12 -1.893377 0.263116 1.174733 -4.961369 1.678953 \n", + " 13 -1.305854 4.372789 2.143022 -1.995260 0.727185 \n", + " 14 1.832002 4.402938 0.520251 3.951194 1.259433 \n", + " 15 3.378119 2.345476 0.144696 4.078912 1.018360 \n", + " 16 1.163580 -3.998867 0.900513 1.572441 -0.670036 \n", + " 17 -1.294868 -6.459579 -0.984140 -0.742592 -1.666544 \n", + " 18 -2.011582 -4.962978 -1.699675 -3.353646 -0.856638 \n", + " 19 -2.084386 2.693622 -1.892679 -3.402275 0.266078 \n", + " 20 -0.692648 4.520943 -0.084357 0.730858 -1.010170 \n", + " 21 1.825490 2.946025 1.362885 5.029830 -3.372031 \n", + " 22 2.826239 -0.356012 1.931716 4.564370 -3.539547 \n", + " 23 1.877753 -3.378513 -0.283849 -1.010133 0.385494 \n", + " 24 -0.702262 -5.385245 0.095841 -4.214576 3.590180 \n", + " 25 -2.710419 -3.168278 -1.796347 -5.814152 3.814368 \n", + " 26 -2.591355 2.089775 -0.411734 -1.913852 1.874913 \n", + " 27 1.628381 3.499556 0.777606 1.175932 -0.028875 \n", + " 28 3.825824 3.595698 2.611568 3.332857 -2.759503 \n", + " 29 1.381723 0.973025 3.630879 -0.418111 -0.360515 \n", + " 30 -1.646350 -1.027102 2.819585 -0.765748 1.014899 \n", + " 31 -4.428064 -1.428197 -0.531788 -1.746798 3.145738 \n", + " 32 -1.898376 0.377410 -2.823518 -1.547244 2.207226 \n", + " 33 0.892250 2.085340 -1.446977 -0.710798 1.364985 \n", + " 34 4.984096 0.147903 -0.754425 1.856307 -0.756861 \n", + " 35 3.832764 -0.968160 1.251553 2.390711 -3.324401 \n", + " 36 -0.002295 -1.445334 1.672072 1.504757 -3.670904 \n", + " 37 -4.401388 -1.374624 2.615130 1.224281 -0.253406 \n", + " 38 -4.971035 -0.163798 -0.557883 -0.149866 1.779794 \n", + " 39 -4.149742 0.969136 -1.604806 -0.083507 2.563173 \n", + " 40 1.678084 1.206301 -3.467221 2.469091 0.903672 \n", + " 41 5.066601 0.744050 -1.715261 4.219725 -0.167695 \n", + " 42 3.664931 -0.655162 0.658072 1.172909 -1.588681 \n", + " 43 -1.244256 -1.779374 1.240049 -0.861999 -2.541918 \n", + " 44 -2.688780 -0.978329 1.082621 -3.932257 -0.742091 \n", + " 45 -3.300514 0.844656 -0.593382 -1.922872 0.345041 \n", + " 46 -0.924125 0.675608 -2.409111 1.955821 -0.451554 \n", + " 47 2.696849 1.521502 -1.168165 4.679710 -0.407939 \n", + " 48 4.615198 -0.997355 0.611524 1.073172 -0.848433 \n", + " 49 2.384417 -2.918789 3.838661 -1.488791 -0.731633 \n", + " 50 -0.507198 -3.471601 1.377895 -4.074080 -0.395263 \n", + " 51 -3.485944 -0.659707 -0.154230 -3.225369 0.076521 \n", + " 52 -2.126139 2.531549 -2.456302 -1.107862 -0.356736 \n", + " 53 -0.564192 3.871429 -2.344982 2.001984 1.001094 \n", + " 54 2.273654 2.694155 -1.255781 5.092055 1.228220 \n", + " 55 3.995451 -1.164373 -0.364397 4.019769 0.402438 \n", + " 56 1.566843 -3.343593 1.047361 -1.405118 -0.604568 \n", + " 57 -0.113094 -2.921378 0.187850 -4.220116 -0.270801 \n", + " 58 -1.618235 0.724721 0.188169 -3.541615 -1.983905 \n", + " 59 -1.845119 1.464419 -1.450202 -0.886686 -0.839873 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.065927 \n", + " 3 1.065927 -1.129150 -0.145572 0.262962 -0.333127 -2.298379 -0.226851 \n", + " 4 -0.226851 0.039067 -0.734459 -0.496890 -0.447066 -2.119690 -1.703235 \n", + " 5 -1.703235 -0.942808 -1.876503 -2.231306 -0.183414 0.119081 0.309589 \n", + " 6 0.309589 0.419404 -0.520016 -1.629720 -0.489692 1.848125 -0.009855 \n", + " 7 -0.009855 1.967671 1.277976 0.281440 -0.637763 3.351311 0.329823 \n", + " 8 0.329823 0.467934 1.098174 2.189956 -0.126737 1.548503 -0.365954 \n", + " 9 -0.365954 -0.160305 -0.595541 2.404160 -0.548854 -0.978379 -0.290600 \n", + " 10 -0.290600 -1.002873 -1.511836 0.803268 -0.531034 -2.787546 -0.118152 \n", + " 11 -0.118152 -1.691241 0.583903 -0.356293 -0.644646 -2.757610 -0.676523 \n", + " 12 -0.676523 -0.091345 2.585964 -2.635668 -0.396182 -1.319541 -1.729889 \n", + " 13 -1.729889 2.664846 1.598919 -0.846428 -1.069782 1.464651 0.037742 \n", + " 14 0.037742 2.248253 -0.516167 1.445559 -0.437369 3.320925 0.683733 \n", + " 15 0.683733 2.702155 -0.789709 2.326875 0.027665 2.330363 -0.050299 \n", + " 16 -0.050299 -1.341871 -0.308714 1.414489 0.613780 -0.470234 -0.300919 \n", + " 17 -0.300919 -1.496329 0.566759 -0.110280 0.199763 -1.717141 0.497801 \n", + " 18 0.497801 -2.111006 -1.464912 -0.446591 -0.248647 -1.649565 -0.116621 \n", + " 19 -0.116621 -1.195970 -1.396335 -0.200363 0.305998 -0.770562 -1.056323 \n", + " 20 -1.056323 -1.415069 -0.984094 0.059064 0.742499 0.004599 -1.074624 \n", + " 21 -1.074624 1.703966 -0.843011 0.559678 1.921958 0.861007 0.158421 \n", + " 22 0.158421 0.858839 -0.651269 0.653220 0.390958 0.271341 -0.918556 \n", + " 23 -0.918556 1.198652 1.089130 0.355491 -0.209138 2.123899 -1.908472 \n", + " 24 -1.908472 0.049514 2.177901 2.016543 -1.198717 1.338002 -1.188970 \n", + " 25 -1.188970 -2.090522 0.739881 3.396631 -1.399606 0.461501 1.356726 \n", + " 26 1.356726 -1.903481 -0.717617 2.999752 -1.455623 -1.213643 1.340549 \n", + " 27 1.340549 -1.599983 -0.970947 0.680427 0.075556 -1.528777 2.901138 \n", + " 28 2.901138 -0.899781 -0.082482 -0.460627 1.865768 -1.247103 0.723529 \n", + " 29 0.723529 -0.709187 0.024777 -1.786763 1.302163 1.576788 -1.812212 \n", + " 30 -1.812212 0.690808 0.393223 -2.079249 0.303533 2.197076 -3.818319 \n", + " 31 -3.818319 -1.320139 0.206937 -1.293462 -0.727758 1.822007 -3.326641 \n", + " 32 -3.326641 -2.285418 -0.813170 0.737026 0.912065 -1.083674 -2.541009 \n", + " 33 -2.541009 -1.073619 -0.598448 2.994121 0.477853 -1.798934 0.444245 \n", + " 34 0.444245 -0.002146 -1.879892 2.696903 -0.492452 0.109271 2.678899 \n", + " 35 2.678899 0.867780 -0.606820 -0.551317 -1.144618 1.439191 1.451247 \n", + " 36 1.451247 1.910135 1.129813 -1.863781 -2.512545 2.970050 -0.118638 \n", + " 37 -0.118638 1.118620 2.939312 -2.548154 -1.226858 2.056891 -1.314716 \n", + " 38 -1.314716 0.677813 2.911524 0.574715 0.578413 0.642414 -1.378568 \n", + " 39 -1.378568 0.287397 -0.546889 3.177157 2.765899 -0.044400 0.433200 \n", + " 40 0.433200 0.028260 -2.840302 3.614373 -0.210755 -1.844972 0.206637 \n", + " 41 0.206637 -0.345655 -3.116212 1.100547 -1.194855 -2.528869 0.811475 \n", + " 42 0.811475 0.266766 0.278757 -3.727508 -0.857623 -1.034732 -0.548095 \n", + " 43 -0.548095 0.752643 2.288811 -4.567603 -0.327425 -0.541517 -1.516738 \n", + " 44 -1.516738 -0.600106 3.042099 -1.519572 1.001279 1.030859 -0.175399 \n", + " 45 -0.175399 0.791671 0.900606 2.157675 0.795121 2.319914 1.867724 \n", + " 46 1.867724 0.200728 -1.005914 3.188506 0.188760 1.557828 2.223633 \n", + " 47 2.223633 -0.759599 -2.244884 1.584389 0.113352 0.180305 1.883487 \n", + " 48 1.883487 -0.584700 -1.401662 -2.030065 1.025071 -2.501401 -0.952581 \n", + " 49 -0.952581 -0.130841 -0.779520 -1.748360 1.336602 -2.500186 -2.658098 \n", + " 50 -2.658098 -0.354624 0.586064 -0.806690 -0.100760 -3.219488 -2.515415 \n", + " 51 -2.515415 1.091325 0.062565 0.890478 -0.924576 0.586100 -1.674817 \n", + " 52 -1.674817 1.923527 -0.502957 2.468804 0.779004 2.364926 -0.852709 \n", + " 53 -0.852709 2.235653 -1.077432 3.112891 1.409035 3.062119 2.311048 \n", + " 54 2.311048 0.731929 -0.529696 2.942452 2.854957 0.523222 3.515195 \n", + " 55 3.515195 -0.269767 -2.093485 0.197627 1.172970 -2.074681 0.516586 \n", + " 56 0.516586 -0.223825 -1.843967 -2.119556 1.634726 -2.707545 -1.875293 \n", + " 57 -1.875293 -0.322237 -1.549905 -4.123002 -0.604928 -0.760790 -2.287502 \n", + " 58 -2.287502 0.987370 -1.872278 -2.316730 -1.455108 0.751001 -2.327922 \n", + " 59 -2.327922 0.338159 0.086244 0.922441 -3.607049 2.415006 -0.407831 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -1.129150 -0.145572 0.262962 -0.333127 -2.298379 \n", + " 3 0.039067 -0.734459 -0.496890 -0.447066 -2.119690 \n", + " 4 -0.942808 -1.876503 -2.231306 -0.183414 0.119081 \n", + " 5 0.419404 -0.520016 -1.629720 -0.489692 1.848125 \n", + " 6 1.967671 1.277976 0.281440 -0.637763 3.351311 \n", + " 7 0.467934 1.098174 2.189956 -0.126737 1.548503 \n", + " 8 -0.160305 -0.595541 2.404160 -0.548854 -0.978379 \n", + " 9 -1.002873 -1.511836 0.803268 -0.531034 -2.787546 \n", + " 10 -1.691241 0.583903 -0.356293 -0.644646 -2.757610 \n", + " 11 -0.091345 2.585964 -2.635668 -0.396182 -1.319541 \n", + " 12 2.664846 1.598919 -0.846428 -1.069782 1.464651 \n", + " 13 2.248253 -0.516167 1.445559 -0.437369 3.320925 \n", + " 14 2.702155 -0.789709 2.326875 0.027665 2.330363 \n", + " 15 -1.341871 -0.308714 1.414489 0.613780 -0.470234 \n", + " 16 -1.496329 0.566759 -0.110280 0.199763 -1.717141 \n", + " 17 -2.111006 -1.464912 -0.446591 -0.248647 -1.649565 \n", + " 18 -1.195970 -1.396335 -0.200363 0.305998 -0.770562 \n", + " 19 -1.415069 -0.984094 0.059064 0.742499 0.004599 \n", + " 20 1.703966 -0.843011 0.559678 1.921958 0.861007 \n", + " 21 0.858839 -0.651269 0.653220 0.390958 0.271341 \n", + " 22 1.198652 1.089130 0.355491 -0.209138 2.123899 \n", + " 23 0.049514 2.177901 2.016543 -1.198717 1.338002 \n", + " 24 -2.090522 0.739881 3.396631 -1.399606 0.461501 \n", + " 25 -1.903481 -0.717617 2.999752 -1.455623 -1.213643 \n", + " 26 -1.599983 -0.970947 0.680427 0.075556 -1.528777 \n", + " 27 -0.899781 -0.082482 -0.460627 1.865768 -1.247103 \n", + " 28 -0.709187 0.024777 -1.786763 1.302163 1.576788 \n", + " 29 0.690808 0.393223 -2.079249 0.303533 2.197076 \n", + " 30 -1.320139 0.206937 -1.293462 -0.727758 1.822007 \n", + " 31 -2.285418 -0.813170 0.737026 0.912065 -1.083674 \n", + " 32 -1.073619 -0.598448 2.994121 0.477853 -1.798934 \n", + " 33 -0.002146 -1.879892 2.696903 -0.492452 0.109271 \n", + " 34 0.867780 -0.606820 -0.551317 -1.144618 1.439191 \n", + " 35 1.910135 1.129813 -1.863781 -2.512545 2.970050 \n", + " 36 1.118620 2.939312 -2.548154 -1.226858 2.056891 \n", + " 37 0.677813 2.911524 0.574715 0.578413 0.642414 \n", + " 38 0.287397 -0.546889 3.177157 2.765899 -0.044400 \n", + " 39 0.028260 -2.840302 3.614373 -0.210755 -1.844972 \n", + " 40 -0.345655 -3.116212 1.100547 -1.194855 -2.528869 \n", + " 41 0.266766 0.278757 -3.727508 -0.857623 -1.034732 \n", + " 42 0.752643 2.288811 -4.567603 -0.327425 -0.541517 \n", + " 43 -0.600106 3.042099 -1.519572 1.001279 1.030859 \n", + " 44 0.791671 0.900606 2.157675 0.795121 2.319914 \n", + " 45 0.200728 -1.005914 3.188506 0.188760 1.557828 \n", + " 46 -0.759599 -2.244884 1.584389 0.113352 0.180305 \n", + " 47 -0.584700 -1.401662 -2.030065 1.025071 -2.501401 \n", + " 48 -0.130841 -0.779520 -1.748360 1.336602 -2.500186 \n", + " 49 -0.354624 0.586064 -0.806690 -0.100760 -3.219488 \n", + " 50 1.091325 0.062565 0.890478 -0.924576 0.586100 \n", + " 51 1.923527 -0.502957 2.468804 0.779004 2.364926 \n", + " 52 2.235653 -1.077432 3.112891 1.409035 3.062119 \n", + " 53 0.731929 -0.529696 2.942452 2.854957 0.523222 \n", + " 54 -0.269767 -2.093485 0.197627 1.172970 -2.074681 \n", + " 55 -0.223825 -1.843967 -2.119556 1.634726 -2.707545 \n", + " 56 -0.322237 -1.549905 -4.123002 -0.604928 -0.760790 \n", + " 57 0.987370 -1.872278 -2.316730 -1.455108 0.751001 \n", + " 58 0.338159 0.086244 0.922441 -3.607049 2.415006 \n", + " 59 0.258702 1.856324 2.974512 -3.065267 1.754975 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.303059 \n", + " 3 0.303059 0.508749 0.733305 0.546017 0.194887 1.073301 0.658458 \n", + " 4 0.658458 -2.267740 -0.585056 -1.111503 -0.547529 0.291365 -1.453656 \n", + " 5 -1.453656 -1.716995 -2.356436 -3.253331 -1.387582 -0.598357 -3.240262 \n", + " 6 -3.240262 -1.226992 -2.576672 -1.073448 -1.871488 -0.700121 -2.709873 \n", + " 7 -2.709873 1.559477 -0.769423 0.319396 0.530785 -0.353852 0.022122 \n", + " 8 0.022122 2.380026 1.270768 4.118615 3.138196 0.197063 1.766674 \n", + " 9 1.766674 -0.334372 1.685813 2.511961 3.817816 -1.222586 2.686307 \n", + " 10 2.686307 -2.607132 1.208918 -0.893193 1.084161 0.027545 2.300942 \n", + " 11 2.300942 -2.671846 1.279609 -4.513671 -1.843386 1.769177 -0.675433 \n", + " 12 -0.675433 -1.664796 1.367647 -2.635851 -3.255790 0.924899 -1.393441 \n", + " 13 -1.393441 0.615029 2.088077 -0.113654 -2.406610 -2.362381 -2.161451 \n", + " 14 -2.161451 0.970976 -0.095354 1.745581 -0.083896 -2.822953 -0.178742 \n", + " 15 -0.178742 2.337222 -2.759660 0.563344 2.499992 -3.967942 0.334270 \n", + " 16 0.334270 1.112930 -2.432778 -0.369116 2.803239 -1.271597 1.687954 \n", + " 17 1.687954 -0.660789 -1.984596 -0.799266 0.554888 1.793544 3.633139 \n", + " 18 3.633139 -1.673768 -0.213790 -0.664442 -2.569645 3.520735 2.524112 \n", + " 19 2.524112 -1.192207 -0.207984 -0.569605 -2.349831 2.510008 -0.942361 \n", + " 20 -0.942361 0.445359 0.226624 -0.696736 1.296513 1.489845 -2.289231 \n", + " 21 -2.289231 3.150680 -0.225147 0.730078 3.390333 -1.092259 -2.806781 \n", + " 22 -2.806781 3.134423 -2.015270 0.296402 2.783491 -2.512975 -0.969148 \n", + " 23 -0.969148 0.968312 1.329630 0.966062 -0.072732 -2.173000 1.714887 \n", + " 24 1.714887 0.478157 2.311676 0.686641 -3.548052 -1.304401 1.406199 \n", + " 25 1.406199 -1.598989 2.788026 0.141853 -4.071758 -0.467957 1.985095 \n", + " 26 1.985095 -3.206372 1.709661 -0.748561 -1.353237 0.975790 0.189843 \n", + " 27 0.189843 -2.768109 -1.348263 -1.320079 1.602202 -0.795378 -2.202968 \n", + " 28 -2.202968 -0.883460 -3.041986 -1.348746 2.285498 -0.300856 -3.748205 \n", + " 29 -3.748205 -0.086427 -1.894720 0.898594 2.102088 -0.092700 -1.369822 \n", + " 30 -1.369822 0.208175 -0.708731 -0.997437 -0.920050 1.870832 0.769868 \n", + " 31 0.769868 0.905983 0.902815 -1.734688 -2.612131 2.336676 2.997934 \n", + " 32 2.997934 -1.215010 2.523512 -1.328917 -3.480561 1.327369 2.645706 \n", + " 33 2.645706 -0.804223 1.295382 0.098590 0.142812 0.823260 -2.172717 \n", + " 34 -2.172717 -0.853546 -0.288420 1.925963 1.004870 1.440017 -2.793952 \n", + " 35 -2.793952 0.593602 -0.399525 0.662138 2.282229 1.274813 -3.255706 \n", + " 36 -3.255706 -0.853219 -0.942886 0.146956 3.000077 1.633068 -1.315727 \n", + " 37 -1.315727 -1.735199 -0.737668 -1.827157 0.341321 0.197879 2.200470 \n", + " 38 2.200470 -2.707124 -0.529547 -2.113975 -1.911842 -1.649084 3.095209 \n", + " 39 3.095209 -1.143105 -0.082339 -1.715145 -3.511133 -2.785137 0.500564 \n", + " 40 0.500564 0.950763 1.357323 -1.219940 -1.537337 -2.807858 -0.030754 \n", + " 41 -0.030754 0.983126 1.827488 0.876016 2.931701 -2.520359 -0.518838 \n", + " 42 -0.518838 0.223617 1.103188 2.583420 4.858533 1.805786 -1.730338 \n", + " 43 -1.730338 -0.166259 -1.176033 2.982766 2.953948 2.193387 -0.420947 \n", + " 44 -0.420947 0.262731 -2.021986 0.374629 -0.159264 1.507455 1.284013 \n", + " 45 1.284013 0.889959 -0.602899 -1.199823 -2.668727 -0.267424 2.039556 \n", + " 46 2.039556 -1.717274 2.517895 -1.051488 -2.372563 -1.049826 0.385622 \n", + " 47 0.385622 -2.085320 2.808822 1.019218 -0.729539 -2.521014 -0.076425 \n", + " 48 -0.076425 -0.882166 0.711508 0.589100 1.772971 -0.720909 -0.674243 \n", + " 49 -0.674243 1.900014 0.686983 1.337531 2.108643 0.728325 1.361858 \n", + " 50 1.361858 2.707370 -0.624093 1.085738 3.607258 3.355115 1.541039 \n", + " 51 1.541039 1.144388 -2.097365 0.164257 0.406759 3.620174 1.461780 \n", + " 52 1.461780 -1.972621 -0.201806 -0.668393 -1.678727 0.411153 1.101052 \n", + " 53 1.101052 -3.201331 0.419886 -2.517425 -2.138583 -1.444822 -1.411419 \n", + " 54 -1.411419 -1.901268 -0.938771 -1.916766 -1.284322 -3.427905 -2.435400 \n", + " 55 -2.435400 0.924225 -0.057511 -1.104618 0.131425 -1.309411 -3.236666 \n", + " 56 -3.236666 1.756614 0.672558 0.841896 1.710659 0.410335 -0.349064 \n", + " 57 -0.349064 0.617771 1.745129 3.010612 1.623593 -0.183174 3.073416 \n", + " 58 3.073416 -0.147128 1.184319 3.310765 0.395828 0.582789 4.934669 \n", + " 59 4.934669 -0.592864 0.844094 2.023586 -0.766702 1.608181 2.275064 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 0.508749 0.733305 0.546017 0.194887 1.073301 \n", + " 3 -2.267740 -0.585056 -1.111503 -0.547529 0.291365 \n", + " 4 -1.716995 -2.356436 -3.253331 -1.387582 -0.598357 \n", + " 5 -1.226992 -2.576672 -1.073448 -1.871488 -0.700121 \n", + " 6 1.559477 -0.769423 0.319396 0.530785 -0.353852 \n", + " 7 2.380026 1.270768 4.118615 3.138196 0.197063 \n", + " 8 -0.334372 1.685813 2.511961 3.817816 -1.222586 \n", + " 9 -2.607132 1.208918 -0.893193 1.084161 0.027545 \n", + " 10 -2.671846 1.279609 -4.513671 -1.843386 1.769177 \n", + " 11 -1.664796 1.367647 -2.635851 -3.255790 0.924899 \n", + " 12 0.615029 2.088077 -0.113654 -2.406610 -2.362381 \n", + " 13 0.970976 -0.095354 1.745581 -0.083896 -2.822953 \n", + " 14 2.337222 -2.759660 0.563344 2.499992 -3.967942 \n", + " 15 1.112930 -2.432778 -0.369116 2.803239 -1.271597 \n", + " 16 -0.660789 -1.984596 -0.799266 0.554888 1.793544 \n", + " 17 -1.673768 -0.213790 -0.664442 -2.569645 3.520735 \n", + " 18 -1.192207 -0.207984 -0.569605 -2.349831 2.510008 \n", + " 19 0.445359 0.226624 -0.696736 1.296513 1.489845 \n", + " 20 3.150680 -0.225147 0.730078 3.390333 -1.092259 \n", + " 21 3.134423 -2.015270 0.296402 2.783491 -2.512975 \n", + " 22 0.968312 1.329630 0.966062 -0.072732 -2.173000 \n", + " 23 0.478157 2.311676 0.686641 -3.548052 -1.304401 \n", + " 24 -1.598989 2.788026 0.141853 -4.071758 -0.467957 \n", + " 25 -3.206372 1.709661 -0.748561 -1.353237 0.975790 \n", + " 26 -2.768109 -1.348263 -1.320079 1.602202 -0.795378 \n", + " 27 -0.883460 -3.041986 -1.348746 2.285498 -0.300856 \n", + " 28 -0.086427 -1.894720 0.898594 2.102088 -0.092700 \n", + " 29 0.208175 -0.708731 -0.997437 -0.920050 1.870832 \n", + " 30 0.905983 0.902815 -1.734688 -2.612131 2.336676 \n", + " 31 -1.215010 2.523512 -1.328917 -3.480561 1.327369 \n", + " 32 -0.804223 1.295382 0.098590 0.142812 0.823260 \n", + " 33 -0.853546 -0.288420 1.925963 1.004870 1.440017 \n", + " 34 0.593602 -0.399525 0.662138 2.282229 1.274813 \n", + " 35 -0.853219 -0.942886 0.146956 3.000077 1.633068 \n", + " 36 -1.735199 -0.737668 -1.827157 0.341321 0.197879 \n", + " 37 -2.707124 -0.529547 -2.113975 -1.911842 -1.649084 \n", + " 38 -1.143105 -0.082339 -1.715145 -3.511133 -2.785137 \n", + " 39 0.950763 1.357323 -1.219940 -1.537337 -2.807858 \n", + " 40 0.983126 1.827488 0.876016 2.931701 -2.520359 \n", + " 41 0.223617 1.103188 2.583420 4.858533 1.805786 \n", + " 42 -0.166259 -1.176033 2.982766 2.953948 2.193387 \n", + " 43 0.262731 -2.021986 0.374629 -0.159264 1.507455 \n", + " 44 0.889959 -0.602899 -1.199823 -2.668727 -0.267424 \n", + " 45 -1.717274 2.517895 -1.051488 -2.372563 -1.049826 \n", + " 46 -2.085320 2.808822 1.019218 -0.729539 -2.521014 \n", + " 47 -0.882166 0.711508 0.589100 1.772971 -0.720909 \n", + " 48 1.900014 0.686983 1.337531 2.108643 0.728325 \n", + " 49 2.707370 -0.624093 1.085738 3.607258 3.355115 \n", + " 50 1.144388 -2.097365 0.164257 0.406759 3.620174 \n", + " 51 -1.972621 -0.201806 -0.668393 -1.678727 0.411153 \n", + " 52 -3.201331 0.419886 -2.517425 -2.138583 -1.444822 \n", + " 53 -1.901268 -0.938771 -1.916766 -1.284322 -3.427905 \n", + " 54 0.924225 -0.057511 -1.104618 0.131425 -1.309411 \n", + " 55 1.756614 0.672558 0.841896 1.710659 0.410335 \n", + " 56 0.617771 1.745129 3.010612 1.623593 -0.183174 \n", + " 57 -0.147128 1.184319 3.310765 0.395828 0.582789 \n", + " 58 -0.592864 0.844094 2.023586 -0.766702 1.608181 \n", + " 59 1.214050 -1.003962 -1.830210 -1.776676 0.730259 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.318022 \n", + " 3 1.318022 -0.705374 0.173057 0.222896 -0.588203 -0.198208 1.960537 \n", + " 4 1.960537 -2.559435 -0.501387 0.839672 0.559068 -2.160599 0.017721 \n", + " 5 0.017721 -3.060237 -1.361309 -1.013573 0.461948 -1.257565 0.155002 \n", + " 6 0.155002 -1.119375 -0.454319 -1.688525 2.104402 -1.841894 -1.085753 \n", + " 7 -1.085753 1.293196 -0.190458 -0.237182 1.474107 0.436701 -1.867821 \n", + " 8 -1.867821 2.047261 -0.283997 -1.028584 0.261120 2.058711 -2.242755 \n", + " 9 -2.242755 2.468857 0.427383 1.216543 -0.271528 3.824052 1.339601 \n", + " 10 1.339601 1.068227 0.703297 0.365135 -1.042920 2.005444 1.526051 \n", + " 11 1.526051 -2.155562 -0.360139 0.185581 -0.847870 -1.594307 -0.611233 \n", + " 12 -0.611233 -3.133265 -0.780853 -0.658007 -2.040833 -2.894661 -2.546642 \n", + " 13 -2.546642 -1.325509 -0.012907 -0.318319 -1.310871 -2.754281 -3.480478 \n", + " 14 -3.480478 0.454084 -0.148165 0.355603 1.332692 0.860725 -1.038057 \n", + " 15 -1.038057 2.914358 1.978749 -0.123975 3.120315 3.974005 2.465136 \n", + " 16 2.465136 3.173975 2.048742 1.605967 2.188068 4.735691 2.660454 \n", + " 17 2.660454 2.024336 -0.171642 0.708423 -1.491908 3.171533 0.770174 \n", + " 18 0.770174 -2.050031 -2.343576 -0.454989 -2.442968 -0.885295 -1.531265 \n", + " 19 -1.531265 -3.758613 -2.608809 -0.852550 -3.489255 -2.668525 -2.367284 \n", + " 20 -2.367284 -3.678954 -2.498845 -0.478235 -0.074406 -1.569569 -1.295346 \n", + " 21 -1.295346 0.379940 -0.242977 -0.107173 1.398080 0.135040 0.457778 \n", + " 22 0.457778 1.166403 1.562324 1.242453 3.342446 1.904756 0.128416 \n", + " 23 0.128416 1.780939 2.391824 1.238379 2.288168 1.843410 -1.150852 \n", + " 24 -1.150852 0.140331 1.828930 -0.271579 0.065280 0.365272 0.277162 \n", + " 25 0.277162 -2.886062 1.446352 -1.219588 -2.157151 0.484360 -1.083939 \n", + " 26 -1.083939 -2.447352 -0.016858 -2.642850 -3.107516 -0.554896 -0.520372 \n", + " 27 -0.520372 -0.775812 -1.155487 -1.524357 -0.093602 -0.467962 -0.508474 \n", + " 28 -0.508474 1.095141 -0.513294 -0.513172 2.085372 -1.035271 -0.912492 \n", + " 29 -0.912492 2.768243 -0.403796 1.619122 2.648908 -0.697494 0.636176 \n", + " 30 0.636176 1.517709 -1.667691 2.744214 2.462068 -0.953704 1.062670 \n", + " 31 1.062670 -0.140952 -1.705737 0.961319 -0.712476 -0.473472 1.768852 \n", + " 32 1.768852 -1.511539 0.402010 -0.309642 -2.144240 0.044911 -0.189505 \n", + " 33 -0.189505 -2.000577 1.590773 -0.552878 -2.725425 1.107479 -1.769739 \n", + " 34 -1.769739 -0.889156 1.890450 -0.628286 -2.285866 0.883430 -2.971872 \n", + " 35 -2.971872 1.297451 0.527166 -0.738494 -2.882699 0.691040 -0.933044 \n", + " 36 -0.933044 2.321809 -1.194989 1.762258 0.335505 -1.054582 1.469474 \n", + " 37 1.469474 1.563555 -1.745492 0.500360 2.722294 -0.811021 1.242952 \n", + " 38 1.242952 0.180440 -1.885440 1.627013 2.248358 -1.808251 -0.087581 \n", + " 39 -0.087581 -2.522624 -0.362086 1.007560 0.964299 -0.870588 1.017785 \n", + " 40 1.017785 -2.781342 0.817183 0.663562 -1.820148 0.364139 -0.672004 \n", + " 41 -0.672004 -2.167255 2.300983 -1.974942 -1.013245 0.564154 -1.123884 \n", + " 42 -1.123884 -0.415798 2.441424 -0.765154 -1.424569 1.052126 -1.351663 \n", + " 43 -1.351663 2.568096 0.311051 -1.883462 -1.904852 2.275996 1.319484 \n", + " 44 1.319484 4.119006 -0.316418 1.779866 -1.687830 0.635614 1.873206 \n", + " 45 1.873206 1.781006 -1.377931 3.125754 0.163320 -0.298813 3.919549 \n", + " 46 3.919549 0.970347 -1.745440 3.349795 1.482797 -1.296647 -0.051696 \n", + " 47 -0.051696 -3.883912 -0.094620 1.607741 1.473814 -3.055682 -2.292837 \n", + " 48 -2.292837 -4.235090 2.039402 2.200827 1.205105 -1.701420 -3.080367 \n", + " 49 -3.080367 -3.175750 2.986576 -0.647638 -1.331398 0.562753 -1.689837 \n", + " 50 -1.689837 0.058628 1.777165 -1.597174 -2.193882 2.956861 -0.031483 \n", + " 51 -0.031483 3.252531 0.269073 -2.598201 -2.134880 4.577757 2.509030 \n", + " 52 2.509030 2.199100 -3.040408 0.698478 0.686428 -0.294476 2.140124 \n", + " 53 2.140124 2.214427 -3.690875 1.791727 0.474349 -2.945262 0.261119 \n", + " 54 0.261119 -0.501058 -2.925490 2.707467 1.220996 -3.550328 -2.244344 \n", + " 55 -2.244344 -2.334045 -2.372469 0.899737 -0.123707 -1.919580 -3.475013 \n", + " 56 -3.475013 -1.973560 0.941548 -2.434012 -0.167311 1.796609 -0.086095 \n", + " 57 -0.086095 -0.194237 3.567802 -3.412758 -1.739348 2.765510 2.507061 \n", + " 58 2.507061 0.125911 2.318348 -3.203473 -1.879729 1.693009 3.563416 \n", + " 59 3.563416 0.851939 2.366013 0.355511 -1.085278 -0.682373 2.474403 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -0.705374 0.173057 0.222896 -0.588203 -0.198208 \n", + " 3 -2.559435 -0.501387 0.839672 0.559068 -2.160599 \n", + " 4 -3.060237 -1.361309 -1.013573 0.461948 -1.257565 \n", + " 5 -1.119375 -0.454319 -1.688525 2.104402 -1.841894 \n", + " 6 1.293196 -0.190458 -0.237182 1.474107 0.436701 \n", + " 7 2.047261 -0.283997 -1.028584 0.261120 2.058711 \n", + " 8 2.468857 0.427383 1.216543 -0.271528 3.824052 \n", + " 9 1.068227 0.703297 0.365135 -1.042920 2.005444 \n", + " 10 -2.155562 -0.360139 0.185581 -0.847870 -1.594307 \n", + " 11 -3.133265 -0.780853 -0.658007 -2.040833 -2.894661 \n", + " 12 -1.325509 -0.012907 -0.318319 -1.310871 -2.754281 \n", + " 13 0.454084 -0.148165 0.355603 1.332692 0.860725 \n", + " 14 2.914358 1.978749 -0.123975 3.120315 3.974005 \n", + " 15 3.173975 2.048742 1.605967 2.188068 4.735691 \n", + " 16 2.024336 -0.171642 0.708423 -1.491908 3.171533 \n", + " 17 -2.050031 -2.343576 -0.454989 -2.442968 -0.885295 \n", + " 18 -3.758613 -2.608809 -0.852550 -3.489255 -2.668525 \n", + " 19 -3.678954 -2.498845 -0.478235 -0.074406 -1.569569 \n", + " 20 0.379940 -0.242977 -0.107173 1.398080 0.135040 \n", + " 21 1.166403 1.562324 1.242453 3.342446 1.904756 \n", + " 22 1.780939 2.391824 1.238379 2.288168 1.843410 \n", + " 23 0.140331 1.828930 -0.271579 0.065280 0.365272 \n", + " 24 -2.886062 1.446352 -1.219588 -2.157151 0.484360 \n", + " 25 -2.447352 -0.016858 -2.642850 -3.107516 -0.554896 \n", + " 26 -0.775812 -1.155487 -1.524357 -0.093602 -0.467962 \n", + " 27 1.095141 -0.513294 -0.513172 2.085372 -1.035271 \n", + " 28 2.768243 -0.403796 1.619122 2.648908 -0.697494 \n", + " 29 1.517709 -1.667691 2.744214 2.462068 -0.953704 \n", + " 30 -0.140952 -1.705737 0.961319 -0.712476 -0.473472 \n", + " 31 -1.511539 0.402010 -0.309642 -2.144240 0.044911 \n", + " 32 -2.000577 1.590773 -0.552878 -2.725425 1.107479 \n", + " 33 -0.889156 1.890450 -0.628286 -2.285866 0.883430 \n", + " 34 1.297451 0.527166 -0.738494 -2.882699 0.691040 \n", + " 35 2.321809 -1.194989 1.762258 0.335505 -1.054582 \n", + " 36 1.563555 -1.745492 0.500360 2.722294 -0.811021 \n", + " 37 0.180440 -1.885440 1.627013 2.248358 -1.808251 \n", + " 38 -2.522624 -0.362086 1.007560 0.964299 -0.870588 \n", + " 39 -2.781342 0.817183 0.663562 -1.820148 0.364139 \n", + " 40 -2.167255 2.300983 -1.974942 -1.013245 0.564154 \n", + " 41 -0.415798 2.441424 -0.765154 -1.424569 1.052126 \n", + " 42 2.568096 0.311051 -1.883462 -1.904852 2.275996 \n", + " 43 4.119006 -0.316418 1.779866 -1.687830 0.635614 \n", + " 44 1.781006 -1.377931 3.125754 0.163320 -0.298813 \n", + " 45 0.970347 -1.745440 3.349795 1.482797 -1.296647 \n", + " 46 -3.883912 -0.094620 1.607741 1.473814 -3.055682 \n", + " 47 -4.235090 2.039402 2.200827 1.205105 -1.701420 \n", + " 48 -3.175750 2.986576 -0.647638 -1.331398 0.562753 \n", + " 49 0.058628 1.777165 -1.597174 -2.193882 2.956861 \n", + " 50 3.252531 0.269073 -2.598201 -2.134880 4.577757 \n", + " 51 2.199100 -3.040408 0.698478 0.686428 -0.294476 \n", + " 52 2.214427 -3.690875 1.791727 0.474349 -2.945262 \n", + " 53 -0.501058 -2.925490 2.707467 1.220996 -3.550328 \n", + " 54 -2.334045 -2.372469 0.899737 -0.123707 -1.919580 \n", + " 55 -1.973560 0.941548 -2.434012 -0.167311 1.796609 \n", + " 56 -0.194237 3.567802 -3.412758 -1.739348 2.765510 \n", + " 57 0.125911 2.318348 -3.203473 -1.879729 1.693009 \n", + " 58 0.851939 2.366013 0.355511 -1.085278 -0.682373 \n", + " 59 -1.038674 -0.990974 1.332450 -0.164939 -3.103476 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.081768 \n", + " 3 0.081768 -0.309255 1.126272 0.300695 -0.774109 1.041044 0.248471 \n", + " 4 0.248471 -1.884035 1.209108 -1.022442 -1.494222 1.397284 -0.024922 \n", + " 5 -0.024922 -1.296156 -0.175095 -2.366323 -3.345969 1.168661 0.274848 \n", + " 6 0.274848 -1.632979 -0.949400 -0.362497 -0.250223 -0.831824 -0.248998 \n", + " 7 -0.248998 1.729775 -0.637159 0.458590 2.560417 -1.507674 -0.637704 \n", + " 8 -0.637704 1.317286 -0.498336 0.708780 2.565440 -1.012042 -1.353211 \n", + " 9 -1.353211 0.935585 -0.275544 -1.996965 3.428663 -1.561964 -0.372519 \n", + " 10 -0.372519 -2.797402 1.206747 -1.834660 1.071987 -0.983100 1.429926 \n", + " 11 1.429926 -1.803296 3.133812 -1.103610 -1.178627 0.333679 2.517283 \n", + " 12 2.517283 -1.543362 2.749359 0.831846 -2.574442 0.473862 0.314119 \n", + " 13 0.314119 0.371672 0.440380 2.124000 -3.141057 1.571531 -0.347549 \n", + " 14 -0.347549 1.418557 -2.447773 1.195063 -0.711927 1.043852 -2.022627 \n", + " 15 -2.022627 -0.155421 -2.544949 -1.130913 1.243148 0.012349 -2.405155 \n", + " 16 -2.405155 0.808931 -1.310737 -1.650604 2.605323 -2.099710 0.262842 \n", + " 17 0.262842 -0.096364 1.593772 -1.995327 -1.742330 -0.797968 -0.422769 \n", + " 18 -0.422769 -1.332827 2.036699 0.176385 -1.214562 -0.594005 1.373380 \n", + " 19 1.373380 -1.871557 0.536830 1.997101 -0.480969 -0.297629 1.026735 \n", + " 20 1.026735 0.068824 -0.169869 1.601374 0.510521 -0.419812 0.722494 \n", + " 21 0.722494 0.720812 -1.434619 2.179372 0.499635 0.370577 -0.533229 \n", + " 22 -0.533229 0.825454 -0.163846 0.924967 -1.198584 -0.937493 -1.233355 \n", + " 23 -1.233355 1.056568 -0.068654 -1.008528 -1.310346 1.528837 -0.669107 \n", + " 24 -0.669107 -0.266703 1.762183 -3.812549 -0.834219 1.113836 -0.823579 \n", + " 25 -0.823579 -1.527048 0.902671 -2.616214 1.045983 -1.040706 0.911095 \n", + " 26 0.911095 -1.890050 -0.856264 -0.108414 2.725565 -3.462253 1.437069 \n", + " 27 1.437069 0.364677 -1.324388 0.238452 1.028790 -2.186889 1.541537 \n", + " 28 1.541537 2.199957 0.422379 2.745858 -2.397578 0.465837 -0.137670 \n", + " 29 -0.137670 1.484811 2.810246 1.799101 -3.153385 2.492490 -2.121062 \n", + " 30 -2.121062 -0.299536 0.788298 -0.037720 -1.761846 1.978805 -3.023063 \n", + " 31 -3.023063 -2.176350 -0.300658 -2.860806 1.663133 1.433532 -1.565698 \n", + " 32 -1.565698 -1.911574 -2.779845 -3.743198 1.649741 -1.793289 1.492016 \n", + " 33 1.492016 -0.948845 -0.985285 -1.971458 1.135587 -2.500652 2.338310 \n", + " 34 2.338310 0.235047 -0.274768 -0.745254 -0.805097 0.194976 2.277998 \n", + " 35 2.277998 0.791396 1.082425 3.431903 -3.325516 0.995009 0.663557 \n", + " 36 0.663557 0.902697 3.294412 2.325678 -2.452488 1.907496 -1.723371 \n", + " 37 -1.723371 2.219608 2.521467 1.135364 0.094458 0.834468 -0.605390 \n", + " 38 -0.605390 1.237961 -0.197388 -0.751953 2.124663 0.601094 -0.244006 \n", + " 39 -0.244006 1.700947 -2.695462 -1.940800 2.725703 -0.561375 1.565081 \n", + " 40 1.565081 -1.355505 -3.806281 -1.068767 1.180426 -0.952366 0.486718 \n", + " 41 0.486718 -1.730727 -2.599373 0.266506 -1.332043 -1.253009 1.737847 \n", + " 42 1.737847 -2.267713 -0.715381 2.292210 -1.310995 -0.732399 0.064020 \n", + " 43 0.064020 -1.508513 2.221588 1.022769 -1.144995 0.997470 -1.250930 \n", + " 44 -1.250930 1.512030 3.852600 1.332008 0.319911 1.197615 -1.118992 \n", + " 45 -1.118992 2.672619 0.358683 0.075972 -0.391566 1.312896 -0.645879 \n", + " 46 -0.645879 1.152481 0.029503 0.846784 -0.110546 2.967769 0.565362 \n", + " 47 0.565362 -1.454538 -0.916385 -0.215319 -0.144875 -0.045483 0.992438 \n", + " 48 0.992438 -2.480947 -3.107309 0.807933 0.032034 -1.986763 0.808697 \n", + " 49 0.808697 -0.387218 -2.134421 1.671067 0.255928 -2.860003 0.498677 \n", + " 50 0.498677 0.853966 -0.409776 -0.672581 0.835451 -2.196978 -0.495979 \n", + " 51 -0.495979 2.931091 3.900857 -1.661873 1.105591 -0.428771 -1.897236 \n", + " 52 -1.897236 2.517726 4.060153 -1.089694 -2.354618 1.709086 -1.593582 \n", + " 53 -1.593582 -0.540715 1.354560 0.797942 -1.356914 4.565635 -1.483447 \n", + " 54 -1.483447 -1.279792 -1.821573 1.521596 0.712855 1.505385 -1.109965 \n", + " 55 -1.109965 -1.529919 -3.318152 0.910326 0.484418 -0.699728 0.571321 \n", + " 56 0.571321 0.717046 -2.230853 0.496043 1.676909 -1.846823 1.462930 \n", + " 57 1.462930 1.359717 1.439399 -2.566130 -0.019771 -3.029154 2.192884 \n", + " 58 2.192884 1.596111 3.011619 -1.660083 -0.949091 -0.187413 0.509781 \n", + " 59 0.509781 -0.280356 1.024394 -0.225920 -2.450308 0.015715 -0.492635 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -0.309255 1.126272 0.300695 -0.774109 1.041044 \n", + " 3 -1.884035 1.209108 -1.022442 -1.494222 1.397284 \n", + " 4 -1.296156 -0.175095 -2.366323 -3.345969 1.168661 \n", + " 5 -1.632979 -0.949400 -0.362497 -0.250223 -0.831824 \n", + " 6 1.729775 -0.637159 0.458590 2.560417 -1.507674 \n", + " 7 1.317286 -0.498336 0.708780 2.565440 -1.012042 \n", + " 8 0.935585 -0.275544 -1.996965 3.428663 -1.561964 \n", + " 9 -2.797402 1.206747 -1.834660 1.071987 -0.983100 \n", + " 10 -1.803296 3.133812 -1.103610 -1.178627 0.333679 \n", + " 11 -1.543362 2.749359 0.831846 -2.574442 0.473862 \n", + " 12 0.371672 0.440380 2.124000 -3.141057 1.571531 \n", + " 13 1.418557 -2.447773 1.195063 -0.711927 1.043852 \n", + " 14 -0.155421 -2.544949 -1.130913 1.243148 0.012349 \n", + " 15 0.808931 -1.310737 -1.650604 2.605323 -2.099710 \n", + " 16 -0.096364 1.593772 -1.995327 -1.742330 -0.797968 \n", + " 17 -1.332827 2.036699 0.176385 -1.214562 -0.594005 \n", + " 18 -1.871557 0.536830 1.997101 -0.480969 -0.297629 \n", + " 19 0.068824 -0.169869 1.601374 0.510521 -0.419812 \n", + " 20 0.720812 -1.434619 2.179372 0.499635 0.370577 \n", + " 21 0.825454 -0.163846 0.924967 -1.198584 -0.937493 \n", + " 22 1.056568 -0.068654 -1.008528 -1.310346 1.528837 \n", + " 23 -0.266703 1.762183 -3.812549 -0.834219 1.113836 \n", + " 24 -1.527048 0.902671 -2.616214 1.045983 -1.040706 \n", + " 25 -1.890050 -0.856264 -0.108414 2.725565 -3.462253 \n", + " 26 0.364677 -1.324388 0.238452 1.028790 -2.186889 \n", + " 27 2.199957 0.422379 2.745858 -2.397578 0.465837 \n", + " 28 1.484811 2.810246 1.799101 -3.153385 2.492490 \n", + " 29 -0.299536 0.788298 -0.037720 -1.761846 1.978805 \n", + " 30 -2.176350 -0.300658 -2.860806 1.663133 1.433532 \n", + " 31 -1.911574 -2.779845 -3.743198 1.649741 -1.793289 \n", + " 32 -0.948845 -0.985285 -1.971458 1.135587 -2.500652 \n", + " 33 0.235047 -0.274768 -0.745254 -0.805097 0.194976 \n", + " 34 0.791396 1.082425 3.431903 -3.325516 0.995009 \n", + " 35 0.902697 3.294412 2.325678 -2.452488 1.907496 \n", + " 36 2.219608 2.521467 1.135364 0.094458 0.834468 \n", + " 37 1.237961 -0.197388 -0.751953 2.124663 0.601094 \n", + " 38 1.700947 -2.695462 -1.940800 2.725703 -0.561375 \n", + " 39 -1.355505 -3.806281 -1.068767 1.180426 -0.952366 \n", + " 40 -1.730727 -2.599373 0.266506 -1.332043 -1.253009 \n", + " 41 -2.267713 -0.715381 2.292210 -1.310995 -0.732399 \n", + " 42 -1.508513 2.221588 1.022769 -1.144995 0.997470 \n", + " 43 1.512030 3.852600 1.332008 0.319911 1.197615 \n", + " 44 2.672619 0.358683 0.075972 -0.391566 1.312896 \n", + " 45 1.152481 0.029503 0.846784 -0.110546 2.967769 \n", + " 46 -1.454538 -0.916385 -0.215319 -0.144875 -0.045483 \n", + " 47 -2.480947 -3.107309 0.807933 0.032034 -1.986763 \n", + " 48 -0.387218 -2.134421 1.671067 0.255928 -2.860003 \n", + " 49 0.853966 -0.409776 -0.672581 0.835451 -2.196978 \n", + " 50 2.931091 3.900857 -1.661873 1.105591 -0.428771 \n", + " 51 2.517726 4.060153 -1.089694 -2.354618 1.709086 \n", + " 52 -0.540715 1.354560 0.797942 -1.356914 4.565635 \n", + " 53 -1.279792 -1.821573 1.521596 0.712855 1.505385 \n", + " 54 -1.529919 -3.318152 0.910326 0.484418 -0.699728 \n", + " 55 0.717046 -2.230853 0.496043 1.676909 -1.846823 \n", + " 56 1.359717 1.439399 -2.566130 -0.019771 -3.029154 \n", + " 57 1.596111 3.011619 -1.660083 -0.949091 -0.187413 \n", + " 58 -0.280356 1.024394 -0.225920 -2.450308 0.015715 \n", + " 59 1.193488 -0.964220 2.831891 -1.269955 0.728819 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -0.643972 \n", + " 3 -0.643972 1.016044 0.860585 1.690789 0.347095 0.441232 0.270358 \n", + " 4 0.270358 0.292850 0.408954 -0.532039 -0.917640 -1.515721 -0.917613 \n", + " 5 -0.917613 -1.453639 -0.468863 -1.530135 -2.148745 -1.195013 -0.299028 \n", + " 6 -0.299028 -0.421638 -0.871532 -2.705392 -0.902544 0.489841 1.475557 \n", + " 7 1.475557 0.686689 0.565070 0.271965 -1.322997 0.491964 1.626954 \n", + " 8 1.626954 0.311933 0.958148 1.998011 0.899208 1.379124 0.375734 \n", + " 9 0.375734 -0.186438 -0.281887 4.734218 1.510074 0.399471 -1.060143 \n", + " 10 -1.060143 -0.462532 0.961618 2.681320 0.600619 -0.366472 -1.349415 \n", + " 11 -1.349415 0.462974 -0.216132 0.549046 0.867915 -0.246938 -1.068125 \n", + " 12 -1.068125 -0.397060 -1.184004 -0.571492 0.203142 0.216300 1.262711 \n", + " 13 1.262711 0.277158 -1.406155 -1.137737 -1.517478 0.661205 1.814930 \n", + " 14 1.814930 0.952481 -0.161583 0.447356 -1.840020 2.166054 1.352311 \n", + " 15 1.352311 1.494595 0.762790 1.718627 0.850574 0.792606 0.321743 \n", + " 16 0.321743 1.444279 1.584814 2.355088 1.156277 -0.288115 -0.548131 \n", + " 17 -0.548131 -0.401352 -0.036676 0.462821 1.680272 -2.122905 -2.559383 \n", + " 18 -2.559383 -1.852262 -0.450953 0.146973 0.372541 -2.343924 -2.246130 \n", + " 19 -2.246130 -2.258574 -0.458888 -1.410924 -0.015053 0.935806 0.375329 \n", + " 20 0.375329 -0.054750 1.241237 -1.829865 -0.371102 2.477738 2.167036 \n", + " 21 2.167036 2.858659 1.107583 -0.205370 -0.507606 4.057224 2.200281 \n", + " 22 2.200281 4.392800 0.694495 -0.108745 1.837926 1.903355 0.893534 \n", + " 23 0.893534 1.724628 -0.357138 0.281513 2.208968 -1.908371 -1.408472 \n", + " 24 -1.408472 -2.969761 0.442750 0.254794 1.315696 -3.218839 -2.605048 \n", + " 25 -2.605048 -5.223585 -0.133583 -0.540723 0.017402 -2.414250 -0.472386 \n", + " 26 -0.472386 -2.084212 -0.357503 -0.675924 -0.848592 -0.130136 1.637826 \n", + " 27 1.637826 2.490067 -0.352135 -1.362927 -1.951056 1.346805 3.272116 \n", + " 28 3.272116 6.288290 -0.241598 0.148912 -0.303293 3.213017 0.553511 \n", + " 29 0.553511 3.834168 -0.694995 1.243681 1.556885 0.061858 -0.531412 \n", + " 30 -0.531412 0.793550 -1.347912 1.768690 4.233239 -1.141519 -4.900439 \n", + " 31 -4.900439 -1.876697 -1.139176 -0.741347 3.295225 -1.920438 -2.599648 \n", + " 32 -2.599648 -1.313427 -1.438920 -2.333064 -0.178499 -2.218393 -1.101837 \n", + " 33 -1.101837 1.018079 -1.468476 -0.922997 -4.703448 -0.997394 3.411965 \n", + " 34 3.411965 1.519072 -0.063453 -0.239944 -4.337529 0.873874 2.075753 \n", + " 35 2.075753 1.990481 -0.261700 1.499861 -0.623942 0.741857 1.366793 \n", + " 36 1.366793 0.433189 1.036545 1.317740 2.072523 -1.601171 -2.775116 \n", + " 37 -2.775116 -0.949157 0.603150 0.336774 3.350728 -0.817647 -3.448139 \n", + " 38 -3.448139 -2.147209 2.320784 -0.527810 2.647932 0.021646 -2.776942 \n", + " 39 -2.776942 -1.336186 2.423271 -1.397383 0.343422 0.540131 -0.788578 \n", + " 40 -0.788578 -1.615008 2.025902 -0.315033 -2.075345 0.082466 1.549234 \n", + " 41 1.549234 -0.033145 0.181944 0.534768 -3.480060 0.869169 1.707547 \n", + " 42 1.707547 0.561787 -1.810498 0.318910 -1.735728 -0.198542 1.989905 \n", + " 43 1.989905 0.684890 -2.525395 0.743387 1.657490 -0.103849 -1.545587 \n", + " 44 -1.545587 0.714318 -1.949665 -0.146570 2.653682 -1.148314 -2.860207 \n", + " 45 -2.860207 0.062891 -1.243466 0.000561 0.700438 -2.672666 -2.880770 \n", + " 46 -2.880770 -0.476714 0.932961 0.592059 0.344312 -0.412484 0.567828 \n", + " 47 0.567828 0.044692 1.307045 -0.597500 -0.831250 -0.027228 3.870292 \n", + " 48 3.870292 1.187022 3.655154 -1.241593 -1.827808 0.859834 3.974030 \n", + " 49 3.974030 0.396005 2.353946 -0.150551 -0.579054 1.900477 0.874437 \n", + " 50 0.874437 0.020611 0.435030 1.023317 0.288274 2.009670 -1.834326 \n", + " 51 -1.834326 0.673019 -1.032312 2.858615 1.054685 0.426725 -2.854810 \n", + " 52 -2.854810 1.570683 -2.112198 3.458974 -0.098534 -0.410022 -4.465046 \n", + " 53 -4.465046 -0.033967 0.172575 2.373823 -1.787407 -1.837527 -0.093941 \n", + " 54 -0.093941 -1.172114 1.462985 -1.976136 -1.055172 -0.160746 3.060611 \n", + " 55 3.060611 -1.223332 2.508153 -2.815903 -1.397981 2.439258 3.038434 \n", + " 56 3.038434 0.015925 0.401730 -2.883968 0.685632 2.633146 1.580653 \n", + " 57 1.580653 1.288991 -2.567856 -1.700995 1.505105 2.067163 -0.608830 \n", + " 58 -0.608830 1.293379 -2.800881 -0.835620 0.707740 -0.265693 -2.567050 \n", + " 59 -2.567050 -0.977234 -2.017081 1.030811 1.263834 -2.516746 -3.464854 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 1.016044 0.860585 1.690789 0.347095 0.441232 \n", + " 3 0.292850 0.408954 -0.532039 -0.917640 -1.515721 \n", + " 4 -1.453639 -0.468863 -1.530135 -2.148745 -1.195013 \n", + " 5 -0.421638 -0.871532 -2.705392 -0.902544 0.489841 \n", + " 6 0.686689 0.565070 0.271965 -1.322997 0.491964 \n", + " 7 0.311933 0.958148 1.998011 0.899208 1.379124 \n", + " 8 -0.186438 -0.281887 4.734218 1.510074 0.399471 \n", + " 9 -0.462532 0.961618 2.681320 0.600619 -0.366472 \n", + " 10 0.462974 -0.216132 0.549046 0.867915 -0.246938 \n", + " 11 -0.397060 -1.184004 -0.571492 0.203142 0.216300 \n", + " 12 0.277158 -1.406155 -1.137737 -1.517478 0.661205 \n", + " 13 0.952481 -0.161583 0.447356 -1.840020 2.166054 \n", + " 14 1.494595 0.762790 1.718627 0.850574 0.792606 \n", + " 15 1.444279 1.584814 2.355088 1.156277 -0.288115 \n", + " 16 -0.401352 -0.036676 0.462821 1.680272 -2.122905 \n", + " 17 -1.852262 -0.450953 0.146973 0.372541 -2.343924 \n", + " 18 -2.258574 -0.458888 -1.410924 -0.015053 0.935806 \n", + " 19 -0.054750 1.241237 -1.829865 -0.371102 2.477738 \n", + " 20 2.858659 1.107583 -0.205370 -0.507606 4.057224 \n", + " 21 4.392800 0.694495 -0.108745 1.837926 1.903355 \n", + " 22 1.724628 -0.357138 0.281513 2.208968 -1.908371 \n", + " 23 -2.969761 0.442750 0.254794 1.315696 -3.218839 \n", + " 24 -5.223585 -0.133583 -0.540723 0.017402 -2.414250 \n", + " 25 -2.084212 -0.357503 -0.675924 -0.848592 -0.130136 \n", + " 26 2.490067 -0.352135 -1.362927 -1.951056 1.346805 \n", + " 27 6.288290 -0.241598 0.148912 -0.303293 3.213017 \n", + " 28 3.834168 -0.694995 1.243681 1.556885 0.061858 \n", + " 29 0.793550 -1.347912 1.768690 4.233239 -1.141519 \n", + " 30 -1.876697 -1.139176 -0.741347 3.295225 -1.920438 \n", + " 31 -1.313427 -1.438920 -2.333064 -0.178499 -2.218393 \n", + " 32 1.018079 -1.468476 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0.435030 1.023317 0.288274 2.009670 \n", + " 50 0.673019 -1.032312 2.858615 1.054685 0.426725 \n", + " 51 1.570683 -2.112198 3.458974 -0.098534 -0.410022 \n", + " 52 -0.033967 0.172575 2.373823 -1.787407 -1.837527 \n", + " 53 -1.172114 1.462985 -1.976136 -1.055172 -0.160746 \n", + " 54 -1.223332 2.508153 -2.815903 -1.397981 2.439258 \n", + " 55 0.015925 0.401730 -2.883968 0.685632 2.633146 \n", + " 56 1.288991 -2.567856 -1.700995 1.505105 2.067163 \n", + " 57 1.293379 -2.800881 -0.835620 0.707740 -0.265693 \n", + " 58 -0.977234 -2.017081 1.030811 1.263834 -2.516746 \n", + " 59 -1.832816 -0.174653 0.259981 -1.209566 -2.210490 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 0.525356 \n", + " 3 0.525356 0.150706 1.023990 0.838804 -0.010592 0.586407 -0.270391 \n", + " 4 -0.270391 -1.139578 -1.532726 0.223320 0.299724 -1.021736 -3.081549 \n", + " 5 -3.081549 -1.186081 -0.698338 1.286465 -0.637114 -1.615092 -2.030892 \n", + " 6 -2.030892 -1.738240 -0.259206 -0.683039 -0.245791 0.141006 0.021378 \n", + " 7 0.021378 -0.416208 2.214833 0.100306 0.448711 1.876574 -0.093112 \n", + " 8 -0.093112 0.707518 2.620600 -1.315596 2.391797 1.240781 1.208494 \n", + " 9 1.208494 0.236948 0.644118 -0.579770 2.567896 0.882039 1.674663 \n", + " 10 1.674663 2.072354 -0.728898 0.133870 0.884023 -1.370002 0.867666 \n", + " 11 0.867666 0.002527 -0.740377 1.012029 -0.293849 -1.594930 -0.498041 \n", + " 12 -0.498041 0.416315 -0.962669 -0.389617 0.932168 -2.278471 -2.759980 \n", + " 13 -2.759980 -2.197703 -0.145645 0.626029 -0.106223 -1.702629 -2.857217 \n", + " 14 -2.857217 -2.212684 2.237381 1.412170 0.662362 -0.710053 -1.077729 \n", + " 15 -1.077729 -1.729690 2.167825 0.397522 0.292082 0.189719 2.099266 \n", + " 16 2.099266 0.998634 1.701352 -0.867001 -0.261646 -0.474320 3.704961 \n", + " 17 3.704961 0.984963 -0.827683 -1.146583 -0.295395 -1.190023 2.695641 \n", + " 18 2.695641 0.768414 -2.121488 -2.271377 0.543346 -1.034926 -1.707484 \n", + " 19 -1.707484 -0.390565 -1.273850 -1.764560 1.153660 -0.380127 -2.663180 \n", + " 20 -2.663180 -0.688449 -0.628572 -0.888705 1.062088 0.393449 -3.384145 \n", + " 21 -3.384145 -1.385545 2.545869 1.606823 -0.010512 0.691957 -1.116576 \n", + " 22 -1.116576 1.147236 3.127383 1.432325 0.331965 1.508063 2.550410 \n", + " 23 2.550410 2.108592 0.096900 0.383721 -0.047847 0.078688 3.455020 \n", + " 24 3.455020 1.625179 -2.601991 -2.221231 -1.859317 0.179329 1.884981 \n", + " 25 1.884981 0.997261 -2.749940 -1.458548 -1.304859 1.036737 1.274594 \n", + " 26 1.274594 -1.228950 -2.520342 -1.649224 0.841975 2.747964 -2.382495 \n", + " 27 -2.382495 -0.860290 1.784162 -0.434462 1.469313 2.288075 -3.648825 \n", + " 28 -3.648825 0.282148 4.582715 0.353982 0.342164 1.177590 -3.532859 \n", + " 29 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-1.855303 \n", + " 42 -1.855303 4.128398 1.357613 0.316227 -0.177983 0.401071 -2.813680 \n", + " 43 -2.813680 5.589428 0.803248 -1.296759 -0.325767 -0.361456 -2.006440 \n", + " 44 -2.006440 1.816941 -0.039538 -0.550915 -0.078941 0.647042 0.795714 \n", + " 45 0.795714 -0.885764 -1.850976 -2.152981 -0.105432 -0.373434 2.403765 \n", + " 46 2.403765 -3.262054 -0.837072 -0.414193 0.494617 -0.489327 3.249378 \n", + " 47 3.249378 -2.867652 0.227408 2.728379 0.439617 0.124358 -0.320494 \n", + " 48 -0.320494 -0.882151 -0.037193 3.643907 -0.137790 0.686670 -2.395280 \n", + " 49 -2.395280 1.281197 1.163563 2.081505 0.098275 -1.395180 -2.141438 \n", + " 50 -2.141438 3.879466 2.430804 -1.317116 0.520738 -0.838826 0.312816 \n", + " 51 0.312816 1.324769 1.894223 -3.890013 0.945676 -0.417828 0.674903 \n", + " 52 0.674903 0.153160 0.657871 -3.944050 -0.044106 -0.218740 -0.557986 \n", + " 53 -0.557986 -2.234936 -1.654406 -1.715637 1.384225 -0.125641 -0.599378 \n", + " 54 -0.599378 -0.251940 -3.238273 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-1.579261 2.226588 -0.468676 0.341433 -0.729320 \n", + " 35 -1.872862 2.701893 -1.203517 -0.228876 -0.127534 \n", + " 36 0.583903 2.064279 -0.069616 1.263480 0.283869 \n", + " 37 -0.460191 -0.572100 0.977592 0.384907 -0.816781 \n", + " 38 -0.452864 -2.232370 0.697524 -0.927819 -1.747061 \n", + " 39 0.318614 -0.852449 1.785312 -1.885302 -1.696398 \n", + " 40 2.397842 0.986484 2.179010 -1.546244 -0.187375 \n", + " 41 2.984107 4.929667 -1.292861 -0.922941 -0.242964 \n", + " 42 1.558408 2.685303 -1.571833 -1.494549 0.386914 \n", + " 43 -0.042072 -0.979140 -2.341987 -1.131584 0.705775 \n", + " 44 -1.251772 -3.553846 -0.054711 -1.087582 0.656942 \n", + " 45 -1.017054 -3.369483 1.986514 2.215111 0.981832 \n", + " 46 -0.969424 -0.281621 3.880643 2.614974 -1.001945 \n", + " 47 2.425233 0.611294 2.347300 2.121553 -1.171485 \n", + " 48 1.661030 2.166593 1.350424 0.114191 0.775308 \n", + " 49 1.257411 3.655464 -0.243798 -0.577041 1.521820 \n", + " 50 -1.081919 2.700655 -1.510926 -1.374461 1.589505 \n", + " 51 -2.343130 1.385560 -2.403648 -0.289989 0.359096 \n", + " 52 -1.629940 -1.618998 -2.492705 0.752758 -1.331525 \n", + " 53 0.281078 -2.729513 0.123681 0.408820 -1.863929 \n", + " 54 1.836764 -2.078585 0.439369 -0.400040 -2.365017 \n", + " 55 2.309770 -0.307652 1.547031 -0.370303 -0.436730 \n", + " 56 2.247817 1.206863 2.025263 1.159874 1.244296 \n", + " 57 -0.241513 2.061881 0.566504 1.491190 2.019820 \n", + " 58 -2.474260 2.174981 0.384847 1.003561 1.311885 \n", + " 59 -0.798498 0.609071 -0.021529 -0.209514 0.621347 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 1.659328 \n", + " 3 1.659328 1.470667 -0.741437 -0.336163 0.697369 -1.222405 1.614508 \n", + " 4 1.614508 -1.601666 -0.093242 -0.518866 -0.491904 0.167394 0.889474 \n", + " 5 0.889474 -2.487073 -0.806240 -1.237883 -1.798801 0.747153 -0.394569 \n", + " 6 -0.394569 -3.232731 -1.687066 -1.451805 -2.000661 0.305531 -0.685301 \n", + " 7 -0.685301 -1.872433 -1.592740 1.482346 -3.419769 0.290339 -1.938636 \n", + " 8 -1.938636 0.893721 0.585552 2.637165 -1.461614 2.160136 -1.338414 \n", + " 9 -1.338414 3.585586 0.845715 1.894563 -1.596093 2.093836 -1.053149 \n", + " 10 -1.053149 3.124059 0.100199 0.255197 1.930363 -0.770239 0.247500 \n", + " 11 0.247500 -0.729467 0.612066 -2.430697 2.633266 -1.119768 2.682240 \n", + " 12 2.682240 -1.336865 -0.130827 -1.945779 1.677666 -1.340388 4.497919 \n", + " 13 4.497919 -0.781997 -1.341555 -1.482551 -1.933031 -1.619084 2.010710 \n", + " 14 2.010710 1.716197 -1.751154 -0.554176 -2.961931 -1.489941 -1.809545 \n", + " 15 -1.809545 0.860415 1.898305 2.825755 -3.994513 0.575439 -2.229082 \n", + " 16 -2.229082 0.040595 3.036265 4.197393 -1.181305 1.174163 -2.615558 \n", + " 17 -2.615558 1.396794 3.313754 1.966988 2.129637 0.136029 0.550037 \n", + " 18 0.550037 0.774057 0.278598 -2.486164 1.162591 -0.844707 1.935800 \n", + " 19 1.935800 0.283570 -2.229527 -2.000506 0.320520 -0.760449 2.697813 \n", + " 20 2.697813 -0.500932 -1.964312 0.188116 -0.048138 -0.609942 -0.061886 \n", + " 21 -0.061886 -3.275756 -0.689190 3.273223 -1.062024 0.474888 -0.337795 \n", + " 22 -0.337795 -1.165552 0.993445 4.086172 -0.555453 2.751564 -0.947622 \n", + " 23 -0.947622 -0.334818 1.172647 1.598178 0.014954 3.960886 -0.719002 \n", + " 24 -0.719002 1.181975 -0.495102 -0.417057 -0.124613 1.381490 0.938888 \n", + " 25 0.938888 1.335669 -1.634556 -2.718496 -1.979520 -1.718189 2.569394 \n", + " 26 2.569394 1.008273 -1.955619 -2.373011 -2.237384 -4.255728 2.568542 \n", + " 27 2.568542 -0.695036 -0.810017 0.033122 -1.751549 -3.602789 1.154394 \n", + " 28 1.154394 0.004366 0.537831 3.241161 -0.464849 -1.433231 -1.742539 \n", + " 29 -1.742539 0.258824 3.340419 2.990223 1.461432 2.606451 0.516932 \n", + " 30 0.516932 -0.692610 1.503620 0.885416 1.959302 2.964980 -0.589130 \n", + " 31 -0.589130 -0.869936 0.351590 -1.661038 1.934326 3.271168 0.199998 \n", + " 32 0.199998 1.684954 -1.922781 -1.998185 -1.393889 1.161394 0.233120 \n", + " 33 0.233120 0.827892 -2.478550 0.541063 -1.880941 -0.473325 2.886855 \n", + " 34 2.886855 1.310511 -1.257898 3.653700 -1.601337 -1.579658 2.794826 \n", + " 35 2.794826 1.043606 1.986497 1.707818 0.193998 -3.864035 -0.682170 \n", + " 36 -0.682170 -2.244414 3.867285 -1.943799 1.997772 -3.171677 -1.462622 \n", + " 37 -1.462622 -2.800506 3.488811 -3.948828 1.666375 -0.896916 -2.532484 \n", + " 38 -2.532484 -2.503104 -1.977504 -2.094718 0.655704 1.698770 -1.759922 \n", + " 39 -1.759922 -1.294041 -2.409426 1.429176 -3.232496 1.734380 -0.296633 \n", + " 40 -0.296633 -0.763355 -2.186015 3.539124 -4.529510 1.642566 2.283021 \n", + " 41 2.283021 -0.018622 -0.427650 2.271382 -2.400871 -0.269681 2.891792 \n", + " 42 2.891792 -0.868895 2.965318 -1.471974 -0.858027 -1.173086 1.717377 \n", + " 43 1.717377 -0.082183 4.051197 -3.655486 2.698638 -1.210322 -1.337761 \n", + " 44 -1.337761 -0.124379 3.188121 -3.109283 2.016316 -1.944258 -3.349653 \n", + " 45 -3.349653 1.687972 2.185182 0.187121 0.570115 0.408683 -1.375816 \n", + " 46 -1.375816 0.603155 -0.219874 2.621389 -2.080184 1.258935 0.824551 \n", + " 47 0.824551 0.423334 -2.571537 2.803567 -2.228183 3.041480 2.756048 \n", + " 48 2.756048 -1.222195 -2.947538 0.541672 -1.997911 -0.401189 1.965489 \n", + " 49 1.965489 0.309721 -1.188706 -1.580278 -1.870709 -1.209668 0.961710 \n", + " 50 0.961710 -0.229298 3.429724 -3.536907 -0.306651 -1.777669 -0.655247 \n", + " 51 -0.655247 2.297931 5.527336 -2.058579 -1.499570 -1.452626 -3.011332 \n", + " 52 -3.011332 2.013749 2.728451 0.544547 0.938279 0.007270 -3.412607 \n", + " 53 -3.412607 1.747087 -0.868734 4.830233 1.650324 1.475109 -1.508962 \n", + " 54 -1.508962 1.729754 -4.414808 5.121964 2.255877 1.072432 1.858061 \n", + " 55 1.858061 -1.062626 -4.209477 1.062214 1.069024 1.957370 2.384825 \n", + " 56 2.384825 -0.315856 -1.682862 -4.669046 -0.586674 -0.644969 1.441364 \n", + " 57 1.441364 -0.632748 1.634388 -6.619816 -0.917644 -3.155102 -0.230273 \n", + " 58 -0.230273 1.151223 4.163058 -4.551591 -0.541258 -1.567434 0.273854 \n", + " 59 0.273854 2.975799 2.433736 0.232740 0.595110 0.518873 0.154244 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 1.470667 -0.741437 -0.336163 0.697369 -1.222405 \n", + " 3 -1.601666 -0.093242 -0.518866 -0.491904 0.167394 \n", + " 4 -2.487073 -0.806240 -1.237883 -1.798801 0.747153 \n", + " 5 -3.232731 -1.687066 -1.451805 -2.000661 0.305531 \n", + " 6 -1.872433 -1.592740 1.482346 -3.419769 0.290339 \n", + " 7 0.893721 0.585552 2.637165 -1.461614 2.160136 \n", + " 8 3.585586 0.845715 1.894563 -1.596093 2.093836 \n", + " 9 3.124059 0.100199 0.255197 1.930363 -0.770239 \n", + " 10 -0.729467 0.612066 -2.430697 2.633266 -1.119768 \n", + " 11 -1.336865 -0.130827 -1.945779 1.677666 -1.340388 \n", + " 12 -0.781997 -1.341555 -1.482551 -1.933031 -1.619084 \n", + " 13 1.716197 -1.751154 -0.554176 -2.961931 -1.489941 \n", + " 14 0.860415 1.898305 2.825755 -3.994513 0.575439 \n", + " 15 0.040595 3.036265 4.197393 -1.181305 1.174163 \n", + " 16 1.396794 3.313754 1.966988 2.129637 0.136029 \n", + " 17 0.774057 0.278598 -2.486164 1.162591 -0.844707 \n", + " 18 0.283570 -2.229527 -2.000506 0.320520 -0.760449 \n", + " 19 -0.500932 -1.964312 0.188116 -0.048138 -0.609942 \n", + " 20 -3.275756 -0.689190 3.273223 -1.062024 0.474888 \n", + " 21 -1.165552 0.993445 4.086172 -0.555453 2.751564 \n", + " 22 -0.334818 1.172647 1.598178 0.014954 3.960886 \n", + " 23 1.181975 -0.495102 -0.417057 -0.124613 1.381490 \n", + " 24 1.335669 -1.634556 -2.718496 -1.979520 -1.718189 \n", + " 25 1.008273 -1.955619 -2.373011 -2.237384 -4.255728 \n", + " 26 -0.695036 -0.810017 0.033122 -1.751549 -3.602789 \n", + " 27 0.004366 0.537831 3.241161 -0.464849 -1.433231 \n", + " 28 0.258824 3.340419 2.990223 1.461432 2.606451 \n", + " 29 -0.692610 1.503620 0.885416 1.959302 2.964980 \n", + " 30 -0.869936 0.351590 -1.661038 1.934326 3.271168 \n", + " 31 1.684954 -1.922781 -1.998185 -1.393889 1.161394 \n", + " 32 0.827892 -2.478550 0.541063 -1.880941 -0.473325 \n", + " 33 1.310511 -1.257898 3.653700 -1.601337 -1.579658 \n", + " 34 1.043606 1.986497 1.707818 0.193998 -3.864035 \n", + " 35 -2.244414 3.867285 -1.943799 1.997772 -3.171677 \n", + " 36 -2.800506 3.488811 -3.948828 1.666375 -0.896916 \n", + " 37 -2.503104 -1.977504 -2.094718 0.655704 1.698770 \n", + " 38 -1.294041 -2.409426 1.429176 -3.232496 1.734380 \n", + " 39 -0.763355 -2.186015 3.539124 -4.529510 1.642566 \n", + " 40 -0.018622 -0.427650 2.271382 -2.400871 -0.269681 \n", + " 41 -0.868895 2.965318 -1.471974 -0.858027 -1.173086 \n", + " 42 -0.082183 4.051197 -3.655486 2.698638 -1.210322 \n", + " 43 -0.124379 3.188121 -3.109283 2.016316 -1.944258 \n", + " 44 1.687972 2.185182 0.187121 0.570115 0.408683 \n", + " 45 0.603155 -0.219874 2.621389 -2.080184 1.258935 \n", + " 46 0.423334 -2.571537 2.803567 -2.228183 3.041480 \n", + " 47 -1.222195 -2.947538 0.541672 -1.997911 -0.401189 \n", + " 48 0.309721 -1.188706 -1.580278 -1.870709 -1.209668 \n", + " 49 -0.229298 3.429724 -3.536907 -0.306651 -1.777669 \n", + " 50 2.297931 5.527336 -2.058579 -1.499570 -1.452626 \n", + " 51 2.013749 2.728451 0.544547 0.938279 0.007270 \n", + " 52 1.747087 -0.868734 4.830233 1.650324 1.475109 \n", + " 53 1.729754 -4.414808 5.121964 2.255877 1.072432 \n", + " 54 -1.062626 -4.209477 1.062214 1.069024 1.957370 \n", + " 55 -0.315856 -1.682862 -4.669046 -0.586674 -0.644969 \n", + " 56 -0.632748 1.634388 -6.619816 -0.917644 -3.155102 \n", + " 57 1.151223 4.163058 -4.551591 -0.541258 -1.567434 \n", + " 58 2.975799 2.433736 0.232740 0.595110 0.518873 \n", + " 59 1.363363 -0.600139 4.702588 0.078029 1.259880 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 0 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 0.500000 \n", + " 1 0.500000 0.500000 0.500000 0.500000 0.500000 0.500000 1.500000 \n", + " 2 1.500000 1.500000 1.500000 1.500000 1.500000 1.500000 -0.483136 \n", + " 3 -0.483136 -1.016130 0.123712 1.397567 1.993879 2.387798 -0.806653 \n", + " 4 -0.806653 -1.480816 0.783291 -0.079020 -1.061344 1.509508 0.248225 \n", + " 5 0.248225 -1.246917 0.323618 -0.307828 -1.754475 -0.060851 -0.053289 \n", + " 6 -0.053289 -0.247399 -1.234108 0.131237 -2.412556 -2.672812 -0.565368 \n", + " 7 -0.565368 0.414661 0.128247 1.507392 -0.541879 -2.751994 -0.967385 \n", + " 8 -0.967385 0.192018 1.162658 2.202068 1.004240 -0.516736 -0.591575 \n", + " 9 -0.591575 1.203435 2.481130 1.293142 2.071861 0.251197 1.109731 \n", + " 10 1.109731 0.953726 -1.500364 -1.999257 1.104847 0.715830 1.428707 \n", + " 11 1.428707 -0.499999 -0.661098 -3.665048 0.071059 2.197274 -0.675934 \n", + " 12 -0.675934 -0.839321 0.420326 -1.684807 -1.106330 0.892470 -0.344980 \n", + " 13 -0.344980 0.394663 0.197769 -0.319177 -1.661262 0.249500 -0.946755 \n", + " 14 -0.946755 2.537649 0.213144 2.301447 -2.524175 -0.365531 -0.263098 \n", + " 15 -0.263098 1.862573 0.234529 3.289206 -2.028426 -0.651430 -1.128441 \n", + " 16 -1.128441 0.643342 1.898520 -0.029182 0.494289 -0.633810 0.281188 \n", + " 17 0.281188 0.352628 1.618974 -2.549814 2.854040 0.814553 -1.272905 \n", + " 18 -1.272905 0.445558 0.062765 -2.157021 3.654785 1.922338 -1.230444 \n", + " 19 -1.230444 0.177719 -2.932154 -0.004328 2.078907 1.766309 -1.213069 \n", + " 20 -1.213069 0.667311 -3.785785 1.768073 -1.067894 0.076001 1.269897 \n", + " 21 1.269897 1.674021 -3.521879 0.633185 -2.119802 -1.131199 2.350213 \n", + " 22 2.350213 0.784056 1.866259 0.110397 -2.472648 -3.019276 2.101016 \n", + " 23 2.101016 -0.265848 2.268159 0.542420 -0.290041 -1.100556 0.833437 \n", + " 24 0.833437 -1.839919 2.226807 -1.151024 1.738645 1.146385 -2.001769 \n", + " 25 -2.001769 0.261854 0.612013 0.342027 0.462237 1.157938 -3.980020 \n", + " 26 -3.980020 1.720868 -1.266145 0.887330 -0.721642 3.134887 -1.890088 \n", + " 27 -1.890088 1.477129 -3.549636 -1.062978 -2.290391 1.564261 -0.206557 \n", + " 28 -0.206557 0.335176 -2.605780 -0.179249 -1.712505 0.736078 2.037158 \n", + " 29 2.037158 -1.424288 0.569851 -0.756863 -0.399685 -0.611096 1.353765 \n", + " 30 1.353765 -0.446885 0.870183 1.976883 0.592939 -2.945294 -0.209269 \n", + " 31 -0.209269 1.406868 1.075132 2.420444 1.598271 -2.814461 -1.928499 \n", + " 32 -1.928499 2.536585 0.675161 1.016936 -0.685853 -1.732688 -1.847865 \n", + " 33 -1.847865 1.918389 0.008633 -2.889541 -2.179121 2.363599 -0.321098 \n", + " 34 -0.321098 0.734095 0.160415 -2.849511 -2.729122 3.220361 -0.629774 \n", + " 35 -0.629774 -1.841677 -0.125695 -0.980443 -2.412680 2.165415 0.688981 \n", + " 36 0.688981 -1.661305 -0.392404 1.105050 -0.486235 0.678172 3.503676 \n", + " 37 3.503676 -1.213819 -1.247860 1.396008 1.585002 -0.339738 1.221885 \n", + " 38 1.221885 0.983337 -2.115917 -0.250066 3.483086 -1.929323 -2.018374 \n", + " 39 -2.018374 3.961485 -1.698926 -2.648977 1.826191 -0.202055 -2.924762 \n", + " 40 -2.924762 3.953536 0.524201 -3.149967 -0.850019 0.368045 -2.893424 \n", + " 41 -2.893424 0.382813 2.440439 -0.894182 -2.966557 0.766801 0.833771 \n", + " 42 0.833771 -2.926936 1.582543 2.429970 0.052981 1.801507 3.045849 \n", + " 43 3.045849 -5.050238 -1.452359 4.103517 2.397277 2.163810 2.956606 \n", + " 44 2.956606 -4.408079 -2.963083 1.549516 2.612366 0.871761 1.240205 \n", + " 45 1.240205 0.079219 -2.118333 -1.560608 0.107381 0.693767 -0.791535 \n", + " 46 -0.791535 5.035636 -0.026566 -4.489167 -2.412180 -0.387033 -1.811635 \n", + " 47 -1.811635 4.950855 1.323260 -4.429681 -1.429082 -0.675436 -0.214651 \n", + " 48 -0.214651 1.794452 1.707497 -1.330874 0.243914 -0.700802 1.447666 \n", + " 49 1.447666 -2.272526 0.659760 1.993947 0.753801 -0.358989 1.154842 \n", + " 50 1.154842 -4.255563 0.891942 2.539308 1.131369 0.203453 1.022527 \n", + " 51 1.022527 -4.277109 -1.316801 1.150570 1.544889 1.338272 -1.636064 \n", + " 52 -1.636064 -1.350153 -2.794143 -1.044841 1.499268 0.178643 -3.064337 \n", + " 53 -3.064337 0.687897 -2.493813 -0.079861 -2.079237 -0.751305 -1.022172 \n", + " 54 -1.022172 1.079728 -1.922713 1.283143 -2.360555 -0.555281 1.896589 \n", + " 55 1.896589 0.714300 -0.508558 0.082883 -2.234092 -1.635378 3.210960 \n", + " 56 3.210960 -0.302253 2.238311 -0.247316 -0.508331 -2.233015 1.651327 \n", + " 57 1.651327 -0.616767 3.414043 -0.562590 1.635745 -0.387113 0.329640 \n", + " 58 0.329640 -0.709174 0.562548 -1.388546 -0.100240 1.894068 -0.674014 \n", + " 59 -0.674014 -1.549266 -1.570168 -0.946268 -2.116076 1.574281 -0.618623 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -1.016130 0.123712 1.397567 1.993879 2.387798 \n", + " 3 -1.480816 0.783291 -0.079020 -1.061344 1.509508 \n", + " 4 -1.246917 0.323618 -0.307828 -1.754475 -0.060851 \n", + " 5 -0.247399 -1.234108 0.131237 -2.412556 -2.672812 \n", + " 6 0.414661 0.128247 1.507392 -0.541879 -2.751994 \n", + " 7 0.192018 1.162658 2.202068 1.004240 -0.516736 \n", + " 8 1.203435 2.481130 1.293142 2.071861 0.251197 \n", + " 9 0.953726 -1.500364 -1.999257 1.104847 0.715830 \n", + " 10 -0.499999 -0.661098 -3.665048 0.071059 2.197274 \n", + " 11 -0.839321 0.420326 -1.684807 -1.106330 0.892470 \n", + " 12 0.394663 0.197769 -0.319177 -1.661262 0.249500 \n", + " 13 2.537649 0.213144 2.301447 -2.524175 -0.365531 \n", + " 14 1.862573 0.234529 3.289206 -2.028426 -0.651430 \n", + " 15 0.643342 1.898520 -0.029182 0.494289 -0.633810 \n", + " 16 0.352628 1.618974 -2.549814 2.854040 0.814553 \n", + " 17 0.445558 0.062765 -2.157021 3.654785 1.922338 \n", + " 18 0.177719 -2.932154 -0.004328 2.078907 1.766309 \n", + " 19 0.667311 -3.785785 1.768073 -1.067894 0.076001 \n", + " 20 1.674021 -3.521879 0.633185 -2.119802 -1.131199 \n", + " 21 0.784056 1.866259 0.110397 -2.472648 -3.019276 \n", + " 22 -0.265848 2.268159 0.542420 -0.290041 -1.100556 \n", + " 23 -1.839919 2.226807 -1.151024 1.738645 1.146385 \n", + " 24 0.261854 0.612013 0.342027 0.462237 1.157938 \n", + " 25 1.720868 -1.266145 0.887330 -0.721642 3.134887 \n", + " 26 1.477129 -3.549636 -1.062978 -2.290391 1.564261 \n", + " 27 0.335176 -2.605780 -0.179249 -1.712505 0.736078 \n", + " 28 -1.424288 0.569851 -0.756863 -0.399685 -0.611096 \n", + " 29 -0.446885 0.870183 1.976883 0.592939 -2.945294 \n", + " 30 1.406868 1.075132 2.420444 1.598271 -2.814461 \n", + " 31 2.536585 0.675161 1.016936 -0.685853 -1.732688 \n", + " 32 1.918389 0.008633 -2.889541 -2.179121 2.363599 \n", + " 33 0.734095 0.160415 -2.849511 -2.729122 3.220361 \n", + " 34 -1.841677 -0.125695 -0.980443 -2.412680 2.165415 \n", + " 35 -1.661305 -0.392404 1.105050 -0.486235 0.678172 \n", + " 36 -1.213819 -1.247860 1.396008 1.585002 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-1.567380 \n", + " 7 -1.567380 -1.791833 1.964278 1.158537 -2.557380 0.870609 0.208160 \n", + " 8 0.208160 0.393675 3.125767 -0.182474 -2.884842 1.075517 0.464012 \n", + " 9 0.464012 1.314111 3.338855 -1.723452 -2.475417 0.163735 -0.687307 \n", + " 10 -0.687307 -0.126506 -0.304072 -1.080390 -0.165269 -2.120427 1.500477 \n", + " 11 1.500477 -0.589660 -1.589358 0.054522 1.320494 -1.731676 1.759456 \n", + " 12 1.759456 -0.439653 -2.260902 2.150817 4.502522 0.408949 -0.281859 \n", + " 13 -0.281859 -1.884301 0.096061 2.275332 3.696523 0.413124 -2.534144 \n", + " 14 -2.534144 -1.437523 2.402647 0.022069 0.328177 0.095179 -1.506322 \n", + " 15 -1.506322 -0.422480 1.315598 0.471286 -2.528619 -0.118501 -1.600316 \n", + " 16 -1.600316 1.483071 0.562769 -2.741966 -4.321392 -0.849710 -0.137703 \n", + " 17 -0.137703 0.030773 -1.999666 -2.578347 -2.955452 -1.595629 0.965321 \n", + " 18 0.965321 -0.354399 -3.815108 -1.258570 -1.181771 -0.534971 1.063954 \n", + " 19 1.063954 -0.810860 -1.698277 1.488997 1.821450 0.076379 1.243783 \n", + " 20 1.243783 0.318748 0.915713 2.690975 2.641349 0.298558 -1.875362 \n", + " 21 -1.875362 1.136144 1.941644 3.288954 1.999516 0.029160 -1.721965 \n", + " 22 -1.721965 2.150095 1.032781 2.893486 -1.188752 1.720047 -1.519442 \n", + " 23 -1.519442 0.300206 -0.948415 0.080929 -2.447691 1.132587 1.074767 \n", + " 24 1.074767 -0.275567 -0.756403 -2.423822 -1.385422 -0.369970 2.340681 \n", + " 25 2.340681 -0.069991 -1.684602 -1.422223 -0.332541 -0.455958 0.517682 \n", + " 26 0.517682 -0.827997 -0.173546 1.541719 0.594734 -1.047843 -1.974203 \n", + " 27 -1.974203 0.044444 0.269837 2.033869 0.709166 -0.204618 -2.542076 \n", + " 28 -2.542076 -0.813472 0.509224 2.856834 1.615872 0.779425 -2.036724 \n", + " 29 -2.036724 0.057969 -0.838388 2.063659 1.561048 2.427478 0.375636 \n", + " 30 0.375636 0.070295 0.502950 -1.154483 0.617646 -0.305377 1.346683 \n", + " 31 1.346683 0.809626 1.675305 -3.587048 0.651321 -3.494130 2.756932 \n", + " 32 2.756932 1.273997 2.517239 -1.804703 -1.639884 -1.274187 2.015673 \n", + " 33 2.015673 2.358326 0.313586 0.898692 -1.566584 1.030086 0.269615 \n", + " 34 0.269615 2.041017 -0.586743 2.351203 -0.328180 4.427819 -1.606558 \n", + " 35 -1.606558 0.070948 -1.906662 2.654713 0.315324 3.184621 -3.226813 \n", + " 36 -3.226813 -1.574179 -3.635879 2.151927 2.445487 -0.172012 -0.961700 \n", + " 37 -0.961700 -2.852157 -2.711067 -0.857046 1.179950 -4.186981 1.642120 \n", + " 38 1.642120 -2.461715 1.288544 -3.088338 0.875850 -3.910433 2.539010 \n", + " 39 2.539010 -0.709166 3.235944 -1.369513 0.661631 -1.128010 0.348557 \n", + " 40 0.348557 -0.384589 3.122051 -0.571546 -1.557811 2.617459 -0.812348 \n", + " 41 -0.812348 2.137312 2.062804 1.659367 -0.315966 4.292972 -2.514426 \n", + " 42 -2.514426 2.070012 -1.179513 1.586120 -0.075326 3.257577 -0.779382 \n", + " 43 -0.779382 0.377734 -2.151585 0.070482 -0.595645 0.796287 1.615420 \n", + " 44 1.615420 -1.422277 -0.957225 -2.423993 1.115561 -1.744185 1.317598 \n", + " 45 1.317598 -1.544153 -0.074055 -3.063305 0.482239 -4.075752 1.048039 \n", + " 46 1.048039 -0.434612 0.322758 -2.165389 -0.399565 -2.864003 -1.561196 \n", + " 47 -1.561196 0.070380 0.095496 1.248547 -1.698441 -2.101008 -2.409335 \n", + " 48 -2.409335 0.408920 -0.547043 2.378768 -1.136689 0.916014 -0.751516 \n", + " 49 -0.751516 0.054102 0.469402 0.016635 0.648463 2.566095 0.811348 \n", + " 50 0.811348 -0.806501 1.153292 -1.644839 1.170238 3.014222 1.424033 \n", + " 51 1.424033 -1.360642 -0.173699 -1.074997 1.470503 1.139047 0.911114 \n", + " 52 0.911114 -1.102078 0.583153 -0.786930 1.258409 -2.302884 0.493287 \n", + " 53 0.493287 -1.951115 0.522481 0.307798 0.107521 -3.369843 -1.260900 \n", + " 54 -1.260900 -0.810897 -0.102822 0.521714 -0.904735 -3.433811 -0.280492 \n", + " 55 -0.280492 -0.309973 -1.123923 2.435872 -1.589979 0.375097 0.953506 \n", + " 56 0.953506 1.186361 0.195413 1.667811 -0.747632 1.580533 1.925276 \n", + " 57 1.925276 0.760211 2.384379 -0.566870 0.693961 1.393821 2.079172 \n", + " 58 2.079172 0.623513 2.492177 -1.829346 2.990455 -0.443746 1.577369 \n", + " 59 1.577369 -0.594501 -0.512127 -1.731334 1.405480 -2.101463 -1.167226 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 0 0.500000 0.500000 0.500000 0.500000 0.500000 \n", + " 1 1.500000 1.500000 1.500000 1.500000 1.500000 \n", + " 2 -0.920024 -0.159053 0.256930 2.110391 0.458116 \n", + " 3 -0.611043 -2.317400 -1.218029 1.431782 -0.242059 \n", + " 4 -1.434786 -2.210714 -1.219764 0.893911 -0.121772 \n", + " 5 -1.606727 -1.547160 0.662123 0.221133 -1.343160 \n", + " 6 -1.791833 1.964278 1.158537 -2.557380 0.870609 \n", + " 7 0.393675 3.125767 -0.182474 -2.884842 1.075517 \n", + " 8 1.314111 3.338855 -1.723452 -2.475417 0.163735 \n", + " 9 -0.126506 -0.304072 -1.080390 -0.165269 -2.120427 \n", + " 10 -0.589660 -1.589358 0.054522 1.320494 -1.731676 \n", + " 11 -0.439653 -2.260902 2.150817 4.502522 0.408949 \n", + " 12 -1.884301 0.096061 2.275332 3.696523 0.413124 \n", + " 13 -1.437523 2.402647 0.022069 0.328177 0.095179 \n", + " 14 -0.422480 1.315598 0.471286 -2.528619 -0.118501 \n", + " 15 1.483071 0.562769 -2.741966 -4.321392 -0.849710 \n", + " 16 0.030773 -1.999666 -2.578347 -2.955452 -1.595629 \n", + " 17 -0.354399 -3.815108 -1.258570 -1.181771 -0.534971 \n", + " 18 -0.810860 -1.698277 1.488997 1.821450 0.076379 \n", + " 19 0.318748 0.915713 2.690975 2.641349 0.298558 \n", + " 20 1.136144 1.941644 3.288954 1.999516 0.029160 \n", + " 21 2.150095 1.032781 2.893486 -1.188752 1.720047 \n", + " 22 0.300206 -0.948415 0.080929 -2.447691 1.132587 \n", + " 23 -0.275567 -0.756403 -2.423822 -1.385422 -0.369970 \n", + " 24 -0.069991 -1.684602 -1.422223 -0.332541 -0.455958 \n", + " 25 -0.827997 -0.173546 1.541719 0.594734 -1.047843 \n", + " 26 0.044444 0.269837 2.033869 0.709166 -0.204618 \n", + " 27 -0.813472 0.509224 2.856834 1.615872 0.779425 \n", + " 28 0.057969 -0.838388 2.063659 1.561048 2.427478 \n", + " 29 0.070295 0.502950 -1.154483 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2.248602 \n", + " 47 2.248602 -0.946542 1.106943 0.470886 -0.588900 0.175839 0.911839 \n", + " 48 0.911839 -1.892924 2.393848 0.792847 -2.864493 -2.956281 0.802042 \n", + " 49 0.802042 -1.194447 1.724925 0.314364 -2.495426 -4.605053 -1.482921 \n", + " 50 -1.482921 0.438803 -1.527381 0.961918 -1.229564 -3.058697 -1.061495 \n", + " 51 -1.061495 0.226547 -2.830723 -1.225512 3.221573 0.737460 -0.669184 \n", + " 52 -0.669184 2.709804 -2.043994 -0.304723 2.622729 4.016091 -0.222681 \n", + " 53 -0.222681 2.195913 0.220208 -0.426993 -0.248895 3.814734 0.588891 \n", + " 54 0.588891 -0.242546 1.269376 -0.375089 -2.893622 0.597495 0.474515 \n", + " 55 0.474515 -1.565277 2.951817 0.247749 -2.160946 -2.243680 1.201312 \n", + " 56 1.201312 -1.455102 1.067762 -0.795755 -0.870163 -4.033355 1.014242 \n", + " 57 1.014242 -1.399840 0.193147 -0.205155 1.751227 -2.344347 1.748328 \n", + " 58 1.748328 -0.173840 -1.568960 1.124883 3.462560 -0.171906 0.040639 \n", + " 59 0.040639 1.938967 -2.073092 3.275354 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15 1.421866 4.025960 -2.792018 -0.732217 1.561153 \n", + " 16 1.636128 1.803608 -0.859390 -2.010676 0.237291 \n", + " 17 0.240325 -3.182136 -1.349971 -0.550954 -1.020401 \n", + " 18 0.091958 -4.837395 0.696349 0.071376 -2.592055 \n", + " 19 -4.228778 -3.839992 0.794389 3.552787 -3.128705 \n", + " 20 -3.309383 0.377136 0.568852 2.067811 -0.822845 \n", + " 21 -1.370621 2.481398 0.832174 -0.955425 0.878134 \n", + " 22 1.609493 2.894463 -1.216669 -3.822762 2.399564 \n", + " 23 5.328339 0.725370 -1.144596 -3.554372 4.070938 \n", + " 24 2.940368 -3.206664 -0.869524 -0.269874 3.457920 \n", + " 25 0.546670 -4.066988 1.012696 0.457706 -1.197314 \n", + " 26 -1.021276 -1.654239 1.012306 1.464667 -3.658615 \n", + " 27 -1.147469 1.570268 1.677478 0.844537 -3.531715 \n", + " 28 -1.234892 2.892802 -1.082077 -0.701064 0.433363 \n", + " 29 1.049141 0.724023 -2.090009 -2.879625 3.948528 \n", + " 30 0.240629 -1.770090 -1.685802 -2.263010 5.968175 \n", + " 31 0.561385 -3.071928 0.168831 -0.677292 4.635834 \n", + " 32 0.877811 -1.164311 0.940499 0.753966 -0.818041 \n", + " 33 -0.110649 1.534619 1.341966 1.547380 -6.206645 \n", + " 34 1.551152 3.036576 -0.308112 -0.188393 -7.219594 \n", + " 35 2.183240 1.055115 -2.640709 -1.371694 -2.578747 \n", + " 36 0.424569 -2.824566 -3.342321 -0.621152 2.247463 \n", + " 37 -1.994758 -3.211256 -0.694773 0.583239 5.499868 \n", + " 38 -3.172545 -3.198703 0.773074 0.866656 3.379220 \n", + " 39 -2.276418 0.930634 3.158289 -0.490709 -0.109997 \n", + " 40 -0.164832 2.606760 4.002746 -1.153614 -4.733259 \n", + " 41 2.900892 2.022500 1.794425 -0.839694 -4.205335 \n", + " 42 2.492746 -0.815861 -0.955178 0.555967 -1.436538 \n", + " 43 0.332070 -2.498185 -2.955366 2.059587 3.498017 \n", + " 44 0.428482 -2.376467 -3.082320 3.229807 6.488336 \n", + " 45 -0.779333 -1.912477 -1.124814 1.366353 4.543602 \n", + " 46 -0.946542 1.106943 0.470886 -0.588900 0.175839 \n", + " 47 -1.892924 2.393848 0.792847 -2.864493 -2.956281 \n", + " 48 -1.194447 1.724925 0.314364 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-1.073856 -0.360598 -0.639121 1.197858 -0.205817 2.510263 \n", + " 4 2.510263 -0.565204 -2.478859 -0.717986 0.647639 -2.091676 0.323034 \n", + " 5 0.323034 0.338847 -3.789155 -1.005255 -1.123641 -2.977187 -1.605918 \n", + " 6 -1.605918 1.230190 -0.554889 -1.775058 -1.446165 -0.944520 -1.420973 \n", + " 7 -1.420973 1.190286 1.460068 -1.468567 -0.256982 -1.247431 -1.012452 \n", + " 8 -1.012452 1.815916 2.449132 -0.009113 2.452757 0.591694 2.095039 \n", + " 9 2.095039 1.491358 0.043126 0.196783 2.758861 0.618226 2.623170 \n", + " 10 2.623170 1.632743 -0.294231 1.236214 0.322675 1.085057 2.078787 \n", + " 11 2.078787 0.968508 -0.846462 -2.320426 -1.535425 1.174601 0.034280 \n", + " 12 0.034280 1.158253 0.011142 -2.309954 -1.422649 -0.828008 -0.122131 \n", + " 13 -0.122131 0.077336 -0.862352 -2.630876 -1.418250 -1.994943 0.726749 \n", + " 14 0.726749 -1.478667 1.097544 0.825356 -0.064301 -3.362385 0.833736 \n", + " 15 0.833736 -0.433520 2.138389 4.291489 0.470519 -1.875515 0.813208 \n", + " 16 0.813208 -0.355047 1.344081 3.323074 -0.815626 0.564168 0.035998 \n", + " 17 0.035998 1.355150 0.840755 -0.076541 0.803810 2.524096 -1.828161 \n", + " 18 -1.828161 2.150303 -1.401906 -3.804238 0.934146 3.089948 -0.941750 \n", + " 19 -0.941750 0.918759 -3.379011 -4.054902 -0.980777 0.601736 0.106525 \n", + " 20 0.106525 -1.446499 -3.158946 -1.781609 -1.024188 -0.525708 1.298312 \n", + " 21 1.298312 -2.789575 -0.446798 2.820197 -0.907281 -2.005337 -0.179871 \n", + " 22 -0.179871 -0.459416 1.531272 3.783056 -0.044915 -0.995895 -1.700322 \n", + " 23 -1.700322 -0.195161 1.863918 0.882964 0.793622 -0.231587 -1.179222 \n", + " 24 -1.179222 1.446843 0.121950 -3.539409 0.634979 1.132661 -0.440035 \n", + " 25 -0.440035 -0.627308 -0.808423 -5.647924 -0.338748 2.448696 -0.265108 \n", + " 26 -0.265108 -2.724156 -0.453038 -4.913438 -1.548702 1.737043 1.519972 \n", + " 27 1.519972 -1.943032 -1.465711 -0.237609 -2.572542 1.009947 -0.238025 \n", + " 28 -0.238025 -0.211654 0.271651 5.405525 -1.495874 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\n", + " 8 1.491358 0.043126 0.196783 2.758861 0.618226 \n", + " 9 1.632743 -0.294231 1.236214 0.322675 1.085057 \n", + " 10 0.968508 -0.846462 -2.320426 -1.535425 1.174601 \n", + " 11 1.158253 0.011142 -2.309954 -1.422649 -0.828008 \n", + " 12 0.077336 -0.862352 -2.630876 -1.418250 -1.994943 \n", + " 13 -1.478667 1.097544 0.825356 -0.064301 -3.362385 \n", + " 14 -0.433520 2.138389 4.291489 0.470519 -1.875515 \n", + " 15 -0.355047 1.344081 3.323074 -0.815626 0.564168 \n", + " 16 1.355150 0.840755 -0.076541 0.803810 2.524096 \n", + " 17 2.150303 -1.401906 -3.804238 0.934146 3.089948 \n", + " 18 0.918759 -3.379011 -4.054902 -0.980777 0.601736 \n", + " 19 -1.446499 -3.158946 -1.781609 -1.024188 -0.525708 \n", + " 20 -2.789575 -0.446798 2.820197 -0.907281 -2.005337 \n", + " 21 -0.459416 1.531272 3.783056 -0.044915 -0.995895 \n", + " 22 -0.195161 1.863918 0.882964 0.793622 -0.231587 \n", + " 23 1.446843 0.121950 -3.539409 0.634979 1.132661 \n", + " 24 -0.627308 -0.808423 -5.647924 -0.338748 2.448696 \n", + " 25 -2.724156 -0.453038 -4.913438 -1.548702 1.737043 \n", + " 26 -1.943032 -1.465711 -0.237609 -2.572542 1.009947 \n", + " 27 -0.211654 0.271651 5.405525 -1.495874 -0.747289 \n", + " 28 1.865793 1.164737 5.752823 0.849461 -2.222375 \n", + " 29 1.657125 0.054583 0.490554 1.676146 -2.869834 \n", + " 30 -1.744726 -0.366993 -2.882978 2.692979 -0.883644 \n", + " 31 -1.296072 -2.797796 -4.296804 -0.678162 0.311387 \n", + " 32 -1.652893 0.232557 -2.528537 -3.273847 1.271765 \n", + " 33 -0.727839 -0.068474 0.420098 -4.252787 -0.266374 \n", + " 34 0.427376 2.114212 3.524802 -1.199888 0.333229 \n", + " 35 0.366676 2.744155 3.405958 2.659586 -1.356285 \n", + " 36 -0.198995 1.856955 0.811830 4.309568 -1.166964 \n", + " 37 0.393540 -0.452677 -0.936002 3.467572 -0.314183 \n", + " 38 -0.627812 -1.987246 -1.216615 -1.092155 0.856996 \n", + " 39 -0.022925 -1.116950 -0.104648 -2.913378 1.448316 \n", + " 40 0.182331 0.838370 -0.185038 -3.675088 2.111512 \n", + " 41 1.793229 1.981621 0.004065 -2.128783 1.599536 \n", + " 42 0.940468 1.009385 -0.262679 -1.304996 -0.063792 \n", + " 43 0.758988 0.090768 0.538934 1.290003 -0.531291 \n", + " 44 -2.195700 -1.666064 0.095841 3.270584 -2.540783 \n", + " 45 -1.669783 -2.113832 -0.455991 4.100888 -2.335447 \n", + " 46 1.442164 -0.314349 0.197814 1.850889 0.725559 \n", + " 47 2.322177 -1.157165 -0.721328 -1.734549 1.223539 \n", + " 48 1.114213 -0.665391 -0.551266 -4.625515 1.876033 \n", + " 49 -0.656010 -0.319658 -0.906447 -2.413765 0.152761 \n", + " 50 -1.112970 1.226341 0.998480 1.031764 0.751723 \n", + " 51 -2.261739 3.186915 2.594016 4.748402 -0.452217 \n", + " 52 -1.687970 3.340955 3.187527 3.521991 -2.294189 \n", + " 53 -1.194116 0.024968 3.169680 3.749017 -3.304637 \n", + " 54 0.790812 -2.911261 -0.793772 -1.377800 -0.954743 \n", + " 55 1.620593 -6.010261 -1.130635 -3.036922 -0.270530 \n", + " 56 0.090309 -1.647299 -1.092450 -2.251337 0.715011 \n", + " 57 -0.972754 3.614769 -1.833016 -0.130595 0.894186 \n", + " 58 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83 0.547022 1.244023 -1.378619 0.049037 4.998566 0.118599 0.155189 \n", + " 84 0.155189 -0.778814 -2.643225 0.158892 3.916415 0.208525 -0.817764 \n", + " 85 -0.817764 -3.060236 -1.900758 2.556272 -0.306462 -0.447871 0.431376 \n", + " 86 0.431376 -1.440388 -1.776193 1.435471 -2.885586 1.543672 2.773271 \n", + " 87 2.773271 0.694225 1.270376 1.563404 -3.793343 0.472818 0.875524 \n", + " 88 0.875524 0.658465 1.937401 -1.070127 -0.724260 -0.918481 -0.399359 \n", + " 89 -0.399359 2.298706 3.582988 -1.733143 2.067901 -2.857918 0.301190 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -2.388572 -1.300749 -0.141636 1.930598 0.751260 \n", + " 61 -2.657078 -2.196242 0.785881 2.080726 0.561226 \n", + " 62 -0.351374 0.118508 -1.014508 2.146039 -0.376912 \n", + " 63 1.281852 2.867076 0.150232 -1.340815 0.791626 \n", + " 64 1.815711 2.989039 -1.266645 -4.015517 -0.756670 \n", + " 65 2.474341 2.672111 -1.906676 -2.769358 -0.235033 \n", + " 66 1.864875 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83 -0.778814 -2.643225 0.158892 3.916415 0.208525 \n", + " 84 -3.060236 -1.900758 2.556272 -0.306462 -0.447871 \n", + " 85 -1.440388 -1.776193 1.435471 -2.885586 1.543672 \n", + " 86 0.694225 1.270376 1.563404 -3.793343 0.472818 \n", + " 87 0.658465 1.937401 -1.070127 -0.724260 -0.918481 \n", + " 88 2.298706 3.582988 -1.733143 2.067901 -2.857918 \n", + " 89 0.380842 1.606308 -1.286544 2.109026 -3.293401 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.243095 1.506121 1.096045 -0.004722 0.324182 0.155714 -1.580972 \n", + " 61 -1.580972 3.371454 1.971686 -2.747544 -0.879979 1.183650 -1.474558 \n", + " 62 -1.474558 2.530278 0.095790 -0.471255 -1.366920 2.401096 1.788893 \n", + " 63 1.788893 0.693493 -2.254300 -0.317789 -2.077374 0.412545 2.737864 \n", + " 64 2.737864 -1.886433 -2.507595 1.821527 -0.838620 -0.939984 2.073186 \n", + " 65 2.073186 -1.759916 -1.178534 2.103039 0.571481 -3.408172 -0.945736 \n", + " 66 -0.945736 -1.271095 1.229019 1.564490 0.103958 -4.528126 -1.756272 \n", + " 67 -1.756272 0.236963 2.252189 -2.237433 0.262045 -4.643308 -1.999418 \n", + " 68 -1.999418 0.481479 1.225703 -2.338164 -0.777021 1.030072 -1.725606 \n", + " 69 -1.725606 2.219166 -1.170252 -0.744256 -0.065610 3.484983 1.224078 \n", + " 70 1.224078 2.066992 -2.544909 1.115314 0.219856 5.308886 0.082589 \n", + " 71 0.082589 1.524231 0.291775 2.084647 2.637385 1.659821 -1.128185 \n", + " 72 -1.128185 -1.926884 1.263244 1.149052 1.353942 -0.776538 -2.381389 \n", + " 73 -2.381389 -2.859932 1.411599 -0.540712 1.137165 -2.514076 -1.854532 \n", + " 74 -1.854532 -1.033483 0.012817 -0.001867 -3.698228 -2.515087 -0.930382 \n", + " 75 -0.930382 1.327529 -0.650056 0.148061 -2.391957 0.530017 0.655270 \n", + " 76 0.655270 2.383808 0.367766 -0.698972 1.127949 3.831907 2.336527 \n", + " 77 2.336527 1.772249 1.323985 -1.627222 0.963098 3.223289 0.297191 \n", + " 78 0.297191 0.915412 1.726209 -0.936250 1.204873 1.601381 -1.653547 \n", + " 79 -1.653547 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0.120178 0.750613 0.018464 -2.960181 1.912911 \n", + " 74 0.596608 -1.073506 1.334353 -2.587975 1.101905 \n", + " 75 0.363519 -2.231148 2.545316 -1.544592 -0.805722 \n", + " 76 -0.786142 -1.913215 -0.672591 1.466574 -1.457238 \n", + " 77 -0.123929 -0.458485 -1.635850 0.935421 -1.786358 \n", + " 78 0.749372 0.143247 -1.458564 3.364298 -0.879340 \n", + " 79 -0.097074 1.549831 0.485956 2.780015 0.171350 \n", + " 80 -0.391851 1.755939 0.657316 0.462876 0.885935 \n", + " 81 1.185015 1.024291 -0.136350 -0.693837 0.176263 \n", + " 82 1.492098 -0.947821 0.174189 -1.398964 -0.362087 \n", + " 83 -0.270297 -1.909480 -0.150980 -2.150991 0.050971 \n", + " 84 0.386757 -2.406142 0.163438 -0.804404 0.879161 \n", + " 85 -0.421078 -0.224656 0.496727 1.184898 1.655206 \n", + " 86 -1.417222 0.408448 0.169962 1.723554 1.162921 \n", + " 87 -2.110803 2.159743 -0.146318 0.674121 1.681720 \n", + " 88 -0.653505 1.739176 -0.624810 -0.001498 1.489634 \n", + " 89 -0.609222 -1.036570 -1.747476 0.232383 -0.234142 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 1.670596 0.616349 4.417277 3.862959 3.691000 -0.454728 1.581596 \n", + " 61 1.581596 -2.715455 4.128548 2.365504 2.329975 -0.789331 1.327521 \n", + " 62 1.327521 -0.864444 0.988653 0.014531 2.393706 -0.906599 -0.278283 \n", + " 63 -0.278283 0.974031 -1.578165 -2.837002 1.204810 0.978109 -1.914628 \n", + " 64 -1.914628 2.424988 -1.852094 -1.449292 -0.864971 2.557071 -2.005962 \n", + " 65 -2.005962 -0.554845 -0.929136 -0.574730 -1.248962 1.702240 -1.314553 \n", + " 66 -1.314553 -1.736235 1.016063 0.421975 0.360696 1.689439 1.037877 \n", + " 67 1.037877 -0.741015 0.667932 0.451218 1.118886 -0.812725 4.282860 \n", + " 68 4.282860 1.466067 -1.437994 -1.655084 -0.696777 -1.030200 4.685458 \n", + " 69 4.685458 1.972627 -2.735001 -3.438087 0.995428 -1.598803 1.995482 \n", + " 70 1.995482 0.451713 -2.999481 -3.213851 0.474564 -2.065249 0.335514 \n", + " 71 0.335514 0.138057 0.307220 -1.808266 -1.283386 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-2.240311 -0.224401 -0.296712 -0.402779 2.509383 \n", + " 85 2.509383 0.081859 -3.468236 -0.240561 -2.503979 0.844787 -0.010822 \n", + " 86 -0.010822 -1.344137 -2.677623 1.861581 -2.104714 2.214538 -0.392137 \n", + " 87 -0.392137 -1.180357 1.679591 1.801429 -1.123552 1.510170 -0.811060 \n", + " 88 -0.811060 1.742062 2.055151 1.391134 -0.148826 0.402289 -1.524603 \n", + " 89 -1.524603 2.113404 0.905446 -1.261162 -0.221992 -0.003482 -0.712535 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -2.715455 4.128548 2.365504 2.329975 -0.789331 \n", + " 61 -0.864444 0.988653 0.014531 2.393706 -0.906599 \n", + " 62 0.974031 -1.578165 -2.837002 1.204810 0.978109 \n", + " 63 2.424988 -1.852094 -1.449292 -0.864971 2.557071 \n", + " 64 -0.554845 -0.929136 -0.574730 -1.248962 1.702240 \n", + " 65 -1.736235 1.016063 0.421975 0.360696 1.689439 \n", + " 66 -0.741015 0.667932 0.451218 1.118886 -0.812725 \n", + " 67 1.466067 -1.437994 -1.655084 -0.696777 -1.030200 \n", + " 68 1.972627 -2.735001 -3.438087 0.995428 -1.598803 \n", + " 69 0.451713 -2.999481 -3.213851 0.474564 -2.065249 \n", + " 70 0.138057 0.307220 -1.808266 -1.283386 -0.347561 \n", + " 71 -1.588186 1.773128 1.580360 -1.050652 1.965277 \n", + " 72 0.109352 2.014625 3.584152 -0.963639 0.973528 \n", + " 73 -0.270418 -0.850798 1.314733 1.633540 -0.480920 \n", + " 74 -1.334952 -1.990637 -1.156940 1.011405 -3.690130 \n", + " 75 -1.303284 -2.429174 -1.998664 1.102686 -2.191351 \n", + " 76 2.003381 -0.423213 -1.116427 -0.424795 -2.961186 \n", + " 77 2.698595 1.792179 -0.465684 -1.580955 0.021245 \n", + " 78 2.706294 -0.385880 1.822709 -0.980779 0.854112 \n", + " 79 -0.078494 -0.789336 1.619052 1.382581 1.616160 \n", + " 80 -1.512272 0.486939 1.275763 0.739995 0.882558 \n", + " 81 -0.598363 1.141060 0.690001 1.264074 -0.963984 \n", + " 82 1.677166 -0.622007 -0.231115 0.174242 -2.719487 \n", + " 83 1.709465 -2.240311 -0.224401 -0.296712 -0.402779 \n", + " 84 0.081859 -3.468236 -0.240561 -2.503979 0.844787 \n", + " 85 -1.344137 -2.677623 1.861581 -2.104714 2.214538 \n", + " 86 -1.180357 1.679591 1.801429 -1.123552 1.510170 \n", + " 87 1.742062 2.055151 1.391134 -0.148826 0.402289 \n", + " 88 2.113404 0.905446 -1.261162 -0.221992 -0.003482 \n", + " 89 2.147108 -0.908203 -2.797310 0.687622 0.925929 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.017873 0.998343 2.111248 -1.558481 2.200494 -1.872177 -1.251739 \n", + " 61 -1.251739 0.848566 2.473541 -0.791963 2.673677 -1.270513 0.723868 \n", + " 62 0.723868 0.391377 2.392263 -0.242586 -0.397609 -1.693993 2.724819 \n", + " 63 2.724819 1.754132 0.179259 1.368340 -2.727276 0.708650 1.395681 \n", + " 64 1.395681 1.374729 -2.566563 -0.281858 -6.209252 3.069244 -1.432575 \n", + " 65 -1.432575 1.151260 -2.543684 -2.689262 -4.252493 2.282797 -2.238352 \n", + " 66 -2.238352 -0.953206 -1.099552 -1.192947 -0.753698 2.353096 -1.036583 \n", + " 67 -1.036583 -1.066286 1.181577 1.879787 1.361354 2.049168 0.531463 \n", + " 68 0.531463 -0.270451 2.572654 1.762864 3.165220 -0.629316 1.533889 \n", + " 69 1.533889 2.347786 1.113827 2.604645 1.898512 -1.774677 1.456108 \n", + " 70 1.456108 3.086798 0.115505 0.564985 -1.278563 -1.483599 0.816150 \n", + " 71 0.816150 0.316060 -2.514096 -2.772503 -1.891591 -0.538174 -0.024618 \n", + " 72 -0.024618 -3.973625 -2.024249 -4.056873 -1.675018 0.621292 -1.748735 \n", + " 73 -1.748735 -3.437163 -0.779410 -1.131295 -0.488545 1.022468 -1.709991 \n", + " 74 -1.709991 -1.178595 -1.412287 0.765995 1.965889 1.507141 -0.503010 \n", + " 75 -0.503010 1.970133 1.290897 2.483629 2.442585 0.933141 1.248043 \n", + " 76 1.248043 2.630753 1.069681 1.297316 2.161965 0.270163 0.800279 \n", + " 77 0.800279 1.855084 1.223793 1.224042 -1.497402 -1.313838 1.830052 \n", + " 78 1.830052 1.993346 -0.798478 -0.963500 -2.932943 -1.667031 1.238788 \n", + " 79 1.238788 -0.328507 0.215491 -1.370384 -3.726840 0.021059 0.900776 \n", + " 80 0.900776 -0.090369 -0.630829 -2.687735 -0.791409 1.953376 -1.211910 \n", + " 81 -1.211910 -1.206408 -0.459830 -0.399888 1.493901 0.311651 -3.828413 \n", + " 82 -3.828413 -1.667926 0.179738 -0.857677 3.030625 0.471078 -2.683339 \n", + " 83 -2.683339 -0.173424 0.472495 1.148234 1.352692 0.284218 1.027778 \n", + " 84 1.027778 1.128056 -1.109142 2.782332 -0.068425 1.176986 3.456398 \n", + " 85 3.456398 2.198664 -2.492617 0.531102 -2.556358 1.615380 3.869826 \n", + " 86 3.869826 3.192362 -1.620808 -0.352022 -2.859071 1.838077 2.640704 \n", + " 87 2.640704 2.264215 -0.713156 -0.318175 0.943941 1.292033 -0.108306 \n", + " 88 -0.108306 0.765994 1.533329 -0.143521 1.728885 -1.449028 -2.275552 \n", + " 89 -2.275552 -1.436440 1.631104 -0.197039 0.344418 -1.243634 -3.178840 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 0.848566 2.473541 -0.791963 2.673677 -1.270513 \n", + " 61 0.391377 2.392263 -0.242586 -0.397609 -1.693993 \n", + " 62 1.754132 0.179259 1.368340 -2.727276 0.708650 \n", + " 63 1.374729 -2.566563 -0.281858 -6.209252 3.069244 \n", + " 64 1.151260 -2.543684 -2.689262 -4.252493 2.282797 \n", + " 65 -0.953206 -1.099552 -1.192947 -0.753698 2.353096 \n", + " 66 -1.066286 1.181577 1.879787 1.361354 2.049168 \n", + " 67 -0.270451 2.572654 1.762864 3.165220 -0.629316 \n", + " 68 2.347786 1.113827 2.604645 1.898512 -1.774677 \n", + " 69 3.086798 0.115505 0.564985 -1.278563 -1.483599 \n", + " 70 0.316060 -2.514096 -2.772503 -1.891591 -0.538174 \n", + " 71 -3.973625 -2.024249 -4.056873 -1.675018 0.621292 \n", + " 72 -3.437163 -0.779410 -1.131295 -0.488545 1.022468 \n", + " 73 -1.178595 -1.412287 0.765995 1.965889 1.507141 \n", + " 74 1.970133 1.290897 2.483629 2.442585 0.933141 \n", + " 75 2.630753 1.069681 1.297316 2.161965 0.270163 \n", + " 76 1.855084 1.223793 1.224042 -1.497402 -1.313838 \n", + " 77 1.993346 -0.798478 -0.963500 -2.932943 -1.667031 \n", + " 78 -0.328507 0.215491 -1.370384 -3.726840 0.021059 \n", + " 79 -0.090369 -0.630829 -2.687735 -0.791409 1.953376 \n", + " 80 -1.206408 -0.459830 -0.399888 1.493901 0.311651 \n", + " 81 -1.667926 0.179738 -0.857677 3.030625 0.471078 \n", + " 82 -0.173424 0.472495 1.148234 1.352692 0.284218 \n", + " 83 1.128056 -1.109142 2.782332 -0.068425 1.176986 \n", + " 84 2.198664 -2.492617 0.531102 -2.556358 1.615380 \n", + " 85 3.192362 -1.620808 -0.352022 -2.859071 1.838077 \n", + " 86 2.264215 -0.713156 -0.318175 0.943941 1.292033 \n", + " 87 0.765994 1.533329 -0.143521 1.728885 -1.449028 \n", + " 88 -1.436440 1.631104 -0.197039 0.344418 -1.243634 \n", + " 89 -1.799920 0.717556 -0.342118 -1.629275 -1.918805 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 2.364563 -0.042790 1.147040 0.660839 0.086087 -3.001265 -0.562276 \n", + " 61 -0.562276 -0.429933 0.452815 0.562511 -0.682730 -1.043968 -2.882237 \n", + " 62 -2.882237 -0.162607 -0.350148 -2.535652 -0.350821 2.203811 -2.121254 \n", + " 63 -2.121254 -0.145104 0.711416 -1.053733 -2.046611 4.291309 -1.922117 \n", + " 64 -1.922117 -0.187077 0.638806 0.623556 -0.054828 2.454799 0.477348 \n", + " 65 0.477348 -0.542394 0.163157 0.583265 1.171090 0.333063 1.407008 \n", + " 66 1.407008 -0.168180 -1.148828 0.265036 2.417641 -3.565903 0.331318 \n", + " 67 0.331318 0.730488 -2.349223 -0.511083 0.584984 -4.770478 -1.131506 \n", + " 68 -1.131506 0.201428 -3.224776 -1.218035 -1.017036 -1.558036 -1.467184 \n", + " 69 -1.467184 1.045220 -1.248807 -1.881918 -1.142161 0.881184 0.370394 \n", + " 70 0.370394 0.135816 1.322255 -1.267708 -1.396164 3.977848 1.298459 \n", + " 71 1.298459 -1.601027 2.546740 0.042202 -0.909344 2.897931 1.908366 \n", + " 72 1.908366 -0.630105 2.180186 1.984879 0.244527 1.138793 0.692011 \n", + " 73 0.692011 1.185104 1.428940 1.774400 -1.017583 -2.094205 -0.083625 \n", + " 74 -0.083625 1.493910 -3.797683 0.466759 0.210236 -2.813392 -3.012324 \n", + " 75 -3.012324 0.045480 -4.632264 -0.709940 1.238994 -2.055418 -2.783666 \n", + " 76 -2.783666 -1.611140 -2.509458 -1.777194 -1.161332 0.646860 -0.942087 \n", + " 77 -0.942087 -3.958247 2.593708 -0.736231 -1.375484 4.528596 0.501027 \n", + " 78 0.501027 -2.883184 3.639628 -0.640993 -1.531078 5.054282 0.799336 \n", + " 79 0.799336 0.044399 5.611852 1.933917 -0.701771 2.120019 1.133170 \n", + " 80 1.133170 3.639978 0.695154 0.300094 0.325186 -1.784560 0.546814 \n", + " 81 0.546814 3.227774 -3.642505 -0.373600 0.721698 -3.481736 1.036912 \n", + " 82 1.036912 1.033386 -3.455092 -0.197902 0.992185 -0.978900 0.539420 \n", + " 83 0.539420 -2.354147 -1.591416 -0.253831 0.085228 1.748377 -1.085687 \n", + " 84 -1.085687 -3.004755 1.068982 0.671847 -0.099498 2.181924 0.131862 \n", + " 85 0.131862 -1.661746 2.982417 0.649484 -0.242619 1.376137 -0.092005 \n", + " 86 -0.092005 1.499914 3.984058 0.482092 -1.457332 1.222571 0.201454 \n", + " 87 0.201454 3.039629 2.893773 -2.103268 -1.416149 -1.645970 -0.042993 \n", + " 88 -0.042993 1.741077 -2.013600 -3.667351 -0.472534 -1.562210 0.875786 \n", + " 89 0.875786 -0.475424 -3.678648 -0.327363 0.836716 -1.560100 0.170462 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -0.429933 0.452815 0.562511 -0.682730 -1.043968 \n", + " 61 -0.162607 -0.350148 -2.535652 -0.350821 2.203811 \n", + " 62 -0.145104 0.711416 -1.053733 -2.046611 4.291309 \n", + " 63 -0.187077 0.638806 0.623556 -0.054828 2.454799 \n", + " 64 -0.542394 0.163157 0.583265 1.171090 0.333063 \n", + " 65 -0.168180 -1.148828 0.265036 2.417641 -3.565903 \n", + " 66 0.730488 -2.349223 -0.511083 0.584984 -4.770478 \n", + " 67 0.201428 -3.224776 -1.218035 -1.017036 -1.558036 \n", + " 68 1.045220 -1.248807 -1.881918 -1.142161 0.881184 \n", + " 69 0.135816 1.322255 -1.267708 -1.396164 3.977848 \n", + " 70 -1.601027 2.546740 0.042202 -0.909344 2.897931 \n", + " 71 -0.630105 2.180186 1.984879 0.244527 1.138793 \n", + " 72 1.185104 1.428940 1.774400 -1.017583 -2.094205 \n", + " 73 1.493910 -3.797683 0.466759 0.210236 -2.813392 \n", + " 74 0.045480 -4.632264 -0.709940 1.238994 -2.055418 \n", + " 75 -1.611140 -2.509458 -1.777194 -1.161332 0.646860 \n", + " 76 -3.958247 2.593708 -0.736231 -1.375484 4.528596 \n", + " 77 -2.883184 3.639628 -0.640993 -1.531078 5.054282 \n", + " 78 0.044399 5.611852 1.933917 -0.701771 2.120019 \n", + " 79 3.639978 0.695154 0.300094 0.325186 -1.784560 \n", + " 80 3.227774 -3.642505 -0.373600 0.721698 -3.481736 \n", + " 81 1.033386 -3.455092 -0.197902 0.992185 -0.978900 \n", + " 82 -2.354147 -1.591416 -0.253831 0.085228 1.748377 \n", + " 83 -3.004755 1.068982 0.671847 -0.099498 2.181924 \n", + " 84 -1.661746 2.982417 0.649484 -0.242619 1.376137 \n", + " 85 1.499914 3.984058 0.482092 -1.457332 1.222571 \n", + " 86 3.039629 2.893773 -2.103268 -1.416149 -1.645970 \n", + " 87 1.741077 -2.013600 -3.667351 -0.472534 -1.562210 \n", + " 88 -0.475424 -3.678648 -0.327363 0.836716 -1.560100 \n", + " 89 -0.206762 -5.520207 0.519898 2.393559 0.636117 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.872374 1.990135 0.297583 -1.066695 0.091423 -4.943615 -1.687076 \n", + " 61 -1.687076 0.853637 1.025386 -0.473731 -0.433259 -3.077235 -0.006757 \n", + " 62 -0.006757 -0.248643 2.652306 1.437589 0.104676 -0.729568 1.570910 \n", + " 63 1.570910 -3.601251 0.592856 0.731229 0.308387 1.144441 0.102240 \n", + " 64 0.102240 -3.719388 -1.047996 0.163092 1.190545 2.769590 -1.319377 \n", + " 65 -1.319377 -0.596706 -2.237035 -2.454960 1.353396 1.941065 -3.662447 \n", + " 66 -3.662447 1.656436 -0.562023 -3.088563 -1.224186 0.882441 -1.824493 \n", + " 67 -1.824493 3.169102 0.981356 -2.709030 -1.809005 -0.704677 -1.693505 \n", + " 68 -1.693505 2.675753 1.083249 0.938331 -1.571572 -1.272493 0.116976 \n", + " 69 0.116976 0.210827 1.037542 3.640067 1.038964 0.158655 2.439815 \n", + " 70 2.439815 -1.861021 -0.402030 2.759186 1.840223 0.709158 1.836236 \n", + " 71 1.836236 -2.470441 -0.983812 -0.750075 -0.775418 1.238954 -0.806980 \n", + " 72 -0.806980 -0.799926 -0.460736 -1.555724 -3.051348 0.508151 -1.180050 \n", + " 73 -1.180050 0.583908 -0.369243 -2.894906 -3.572248 -1.240955 -1.849694 \n", + " 74 -1.849694 2.012127 -1.919617 -1.685410 -0.625655 -2.919089 0.663516 \n", + " 75 0.663516 2.295114 -1.631332 1.399342 2.177067 -1.554732 2.750167 \n", + " 76 2.750167 1.013816 1.072757 3.917486 5.145858 -0.405237 4.028440 \n", + " 77 4.028440 -1.675394 1.015182 2.624576 3.081509 2.133440 2.457844 \n", + " 78 2.457844 -1.086703 1.404511 0.910725 1.123848 1.420362 0.442924 \n", + " 79 0.442924 -0.658064 -1.026345 -1.415294 -4.096098 0.530235 -3.190911 \n", + " 80 -3.190911 1.146276 -0.274903 -1.157838 -4.237729 -1.593334 -4.521673 \n", + " 81 -4.521673 1.824385 0.068958 -1.200381 -0.580161 -3.594429 -2.068363 \n", + " 82 -2.068363 2.231203 0.736491 0.444919 2.980921 -2.014504 0.441453 \n", + " 83 0.441453 1.477714 2.871922 1.265464 5.629423 1.303676 1.703133 \n", + " 84 1.703133 0.805023 1.900766 -0.703000 2.625176 2.354439 0.200737 \n", + " 85 0.200737 -1.583263 -1.835399 -0.281823 -1.952698 2.351439 -0.444060 \n", + " 86 -0.444060 -0.200055 -2.206059 0.545808 -2.637749 -0.661999 -1.427726 \n", + " 87 -1.427726 -0.646934 -3.911207 -0.099012 -2.126432 -1.996235 -0.892147 \n", + " 88 -0.892147 0.788741 -0.242570 0.969093 1.272153 -3.390167 -1.507731 \n", + " 89 -1.507731 -0.832920 1.110772 -1.116961 4.435864 -1.043411 0.381322 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 0.853637 1.025386 -0.473731 -0.433259 -3.077235 \n", + " 61 -0.248643 2.652306 1.437589 0.104676 -0.729568 \n", + " 62 -3.601251 0.592856 0.731229 0.308387 1.144441 \n", + " 63 -3.719388 -1.047996 0.163092 1.190545 2.769590 \n", + " 64 -0.596706 -2.237035 -2.454960 1.353396 1.941065 \n", + " 65 1.656436 -0.562023 -3.088563 -1.224186 0.882441 \n", + " 66 3.169102 0.981356 -2.709030 -1.809005 -0.704677 \n", + " 67 2.675753 1.083249 0.938331 -1.571572 -1.272493 \n", + " 68 0.210827 1.037542 3.640067 1.038964 0.158655 \n", + " 69 -1.861021 -0.402030 2.759186 1.840223 0.709158 \n", + " 70 -2.470441 -0.983812 -0.750075 -0.775418 1.238954 \n", + " 71 -0.799926 -0.460736 -1.555724 -3.051348 0.508151 \n", + " 72 0.583908 -0.369243 -2.894906 -3.572248 -1.240955 \n", + " 73 2.012127 -1.919617 -1.685410 -0.625655 -2.919089 \n", + " 74 2.295114 -1.631332 1.399342 2.177067 -1.554732 \n", + " 75 1.013816 1.072757 3.917486 5.145858 -0.405237 \n", + " 76 -1.675394 1.015182 2.624576 3.081509 2.133440 \n", + " 77 -1.086703 1.404511 0.910725 1.123848 1.420362 \n", + " 78 -0.658064 -1.026345 -1.415294 -4.096098 0.530235 \n", + " 79 1.146276 -0.274903 -1.157838 -4.237729 -1.593334 \n", + " 80 1.824385 0.068958 -1.200381 -0.580161 -3.594429 \n", + " 81 2.231203 0.736491 0.444919 2.980921 -2.014504 \n", + " 82 1.477714 2.871922 1.265464 5.629423 1.303676 \n", + " 83 0.805023 1.900766 -0.703000 2.625176 2.354439 \n", + " 84 -1.583263 -1.835399 -0.281823 -1.952698 2.351439 \n", + " 85 -0.200055 -2.206059 0.545808 -2.637749 -0.661999 \n", + " 86 -0.646934 -3.911207 -0.099012 -2.126432 -1.996235 \n", + " 87 0.788741 -0.242570 0.969093 1.272153 -3.390167 \n", + " 88 -0.832920 1.110772 -1.116961 4.435864 -1.043411 \n", + " 89 -0.079558 1.889477 -1.504298 5.291423 0.359237 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -3.052695 1.771650 -0.104490 -0.244687 -2.180743 -1.086017 -0.078010 \n", + " 61 -0.078010 -1.853162 -1.102825 0.235088 -0.464934 -1.368802 2.977445 \n", + " 62 2.977445 -2.555221 0.164024 1.747016 -0.253511 -0.223016 4.064077 \n", + " 63 4.064077 -1.438553 0.248250 1.982387 -0.385925 1.829349 1.885844 \n", + " 64 1.885844 1.408925 -0.431548 1.481537 2.298905 2.133446 -1.531526 \n", + " 65 -1.531526 2.210591 -0.642280 -0.999472 2.756987 0.837043 -2.716657 \n", + " 66 -2.716657 0.262184 -0.828387 -1.384352 -0.219925 -0.088460 -2.070463 \n", + " 67 -2.070463 -2.022905 -1.519772 -0.503828 -3.811856 -0.664499 0.055344 \n", + " 68 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-2.008170 \n", + " 81 -2.008170 -0.025607 -1.341542 0.861241 1.014186 0.498689 -0.944127 \n", + " 82 -0.944127 1.178309 1.016620 0.357319 0.388295 -0.100110 0.961161 \n", + " 83 0.961161 1.524301 2.311915 -2.246697 0.162937 1.013521 2.732004 \n", + " 84 2.732004 0.544196 3.458618 -2.858678 -1.179666 0.222193 1.417702 \n", + " 85 1.417702 0.251495 1.871802 -0.414931 -1.330393 -0.628870 -0.969844 \n", + " 86 -0.969844 -1.054716 -0.984595 1.146568 -0.940306 -1.143957 -1.322673 \n", + " 87 -1.322673 -2.296717 -2.596043 3.307855 -0.534392 -0.405950 1.442348 \n", + " 88 1.442348 -0.281453 0.379432 1.734172 1.710747 -0.800667 3.613439 \n", + " 89 3.613439 0.475857 1.588164 -0.247938 0.197369 -1.213023 4.200121 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -1.853162 -1.102825 0.235088 -0.464934 -1.368802 \n", + " 61 -2.555221 0.164024 1.747016 -0.253511 -0.223016 \n", + " 62 -1.438553 0.248250 1.982387 -0.385925 1.829349 \n", + " 63 1.408925 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" 80 -0.025607 -1.341542 0.861241 1.014186 0.498689 \n", + " 81 1.178309 1.016620 0.357319 0.388295 -0.100110 \n", + " 82 1.524301 2.311915 -2.246697 0.162937 1.013521 \n", + " 83 0.544196 3.458618 -2.858678 -1.179666 0.222193 \n", + " 84 0.251495 1.871802 -0.414931 -1.330393 -0.628870 \n", + " 85 -1.054716 -0.984595 1.146568 -0.940306 -1.143957 \n", + " 86 -2.296717 -2.596043 3.307855 -0.534392 -0.405950 \n", + " 87 -0.281453 0.379432 1.734172 1.710747 -0.800667 \n", + " 88 0.475857 1.588164 -0.247938 0.197369 -1.213023 \n", + " 89 2.047084 1.861377 -2.360137 1.350237 -1.784683 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 0.100819 -1.442561 2.752056 -3.877231 2.416107 -2.059157 0.579495 \n", + " 61 0.579495 0.300315 2.842137 -4.682121 0.955683 -3.674331 2.082137 \n", + " 62 2.082137 0.817274 0.320434 -2.381796 -1.784697 -0.708090 2.494787 \n", + " 63 2.494787 -0.016161 -2.221860 0.818036 -2.087814 0.798084 0.426360 \n", + " 64 0.426360 -0.613260 -3.650533 2.120057 -1.206045 1.627200 -1.296240 \n", + " 65 -1.296240 -0.463113 -1.731341 1.485343 -1.537819 1.598191 -0.176719 \n", + " 66 -0.176719 0.309851 1.660857 0.383506 -0.289393 1.204664 2.743494 \n", + " 67 2.743494 -0.850736 2.778975 -0.681526 2.997422 -0.107259 1.592957 \n", + " 68 1.592957 -0.684063 1.802925 -0.928021 3.802495 -0.185951 0.524456 \n", + " 69 0.524456 -0.589943 -0.353531 -1.514259 2.440624 -3.049610 -1.991043 \n", + " 70 -1.991043 0.714601 -1.074122 -0.787149 0.620037 -3.418158 -1.162900 \n", + " 71 -1.162900 2.265915 -1.535150 0.643999 -1.100083 -1.737074 0.982258 \n", + " 72 0.982258 1.723122 -0.892006 2.363095 -3.173811 0.396197 1.827840 \n", + " 73 1.827840 0.286614 -0.459562 1.583189 -2.199253 1.922818 0.942047 \n", + " 74 0.942047 -1.670859 1.505813 1.009048 -1.070964 1.260829 -1.269387 \n", + " 75 -1.269387 -3.725436 1.973417 -1.534379 0.938300 -0.196523 -0.168504 \n", + " 76 -0.168504 -2.558517 1.259268 -3.164184 2.381426 -1.315538 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-2.078245 -0.793673 1.343310 -0.409001 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 0.300315 2.842137 -4.682121 0.955683 -3.674331 \n", + " 61 0.817274 0.320434 -2.381796 -1.784697 -0.708090 \n", + " 62 -0.016161 -2.221860 0.818036 -2.087814 0.798084 \n", + " 63 -0.613260 -3.650533 2.120057 -1.206045 1.627200 \n", + " 64 -0.463113 -1.731341 1.485343 -1.537819 1.598191 \n", + " 65 0.309851 1.660857 0.383506 -0.289393 1.204664 \n", + " 66 -0.850736 2.778975 -0.681526 2.997422 -0.107259 \n", + " 67 -0.684063 1.802925 -0.928021 3.802495 -0.185951 \n", + " 68 -0.589943 -0.353531 -1.514259 2.440624 -3.049610 \n", + " 69 0.714601 -1.074122 -0.787149 0.620037 -3.418158 \n", + " 70 2.265915 -1.535150 0.643999 -1.100083 -1.737074 \n", + " 71 1.723122 -0.892006 2.363095 -3.173811 0.396197 \n", + " 72 0.286614 -0.459562 1.583189 -2.199253 1.922818 \n", + " 73 -1.670859 1.505813 1.009048 -1.070964 1.260829 \n", + " 74 -3.725436 1.973417 -1.534379 0.938300 -0.196523 \n", + " 75 -2.558517 1.259268 -3.164184 2.381426 -1.315538 \n", + " 76 0.940935 -1.068779 -4.388107 0.544819 -1.439003 \n", + " 77 2.047320 -1.864022 -0.289828 -0.308408 -0.311740 \n", + " 78 2.746225 -1.217183 3.632759 -1.361276 0.487468 \n", + " 79 0.589196 0.571483 5.028331 -1.849564 -0.230044 \n", + " 80 -0.485875 3.897827 2.999021 -0.167528 1.194289 \n", + " 81 -1.008032 4.004619 -1.935326 2.737665 1.748598 \n", + " 82 -1.027063 2.714900 -5.849283 2.856831 0.042363 \n", + " 83 0.472226 -1.618325 -2.457965 1.975780 -0.808627 \n", + " 84 0.740306 -2.047034 0.256547 0.393028 -2.052007 \n", + " 85 -0.021556 -1.603006 3.698459 -1.553931 0.174903 \n", + " 86 -0.577354 0.497699 3.755430 -0.508810 1.267854 \n", + " 87 0.430316 -0.050029 0.727209 -1.732228 3.409055 \n", + " 88 -1.620588 0.894233 -2.078245 -0.793673 1.343310 \n", + " 89 -2.268185 1.036461 -1.735795 0.027985 0.455108 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 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3.139995 -2.181413 0.291079 1.727583 -0.625297 1.101140 \n", + " 87 1.101140 3.477356 -1.549714 -1.861248 0.660776 -0.588776 -3.465928 \n", + " 88 -3.465928 0.916347 1.234603 -2.463092 -0.807784 -0.184374 -3.251520 \n", + " 89 -3.251520 0.196648 2.403762 -1.794867 -1.992312 0.611719 -1.784604 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 0.977326 0.191987 1.296904 0.831318 -2.163235 \n", + " 61 0.143280 2.241575 1.707632 0.507086 0.089134 \n", + " 62 0.261148 0.235130 1.043072 0.648907 0.993807 \n", + " 63 -2.295103 -2.658509 0.451769 1.353231 0.959745 \n", + " 64 0.446498 -3.298504 -1.564741 0.573507 0.064898 \n", + " 65 -0.293900 -1.780434 0.161818 -0.974486 0.719820 \n", + " 66 1.595197 0.550574 0.397405 0.329018 -0.886243 \n", + " 67 1.780317 2.569567 0.962017 -0.769759 -0.850789 \n", + " 68 1.550546 4.023653 -0.408617 -1.469642 0.460816 \n", + " 69 1.100039 2.667615 -0.037787 -1.990070 0.689738 \n", + " 70 1.891119 -0.859181 -1.341961 -1.194899 0.875529 \n", + " 71 0.083400 -3.444629 1.276378 0.266088 0.597908 \n", + " 72 -0.929074 -2.467368 1.241989 1.076004 -0.194670 \n", + " 73 -1.895080 -0.546580 1.477755 0.666273 -0.105443 \n", + " 74 -1.134304 1.028580 -0.530955 0.235136 1.008962 \n", + " 75 1.143074 1.257146 -1.161119 -0.429170 0.435294 \n", + " 76 1.716484 1.322954 0.515357 -0.860545 1.003338 \n", + " 77 1.795702 0.606135 0.484185 -0.644405 -0.618935 \n", + " 78 1.099595 -1.954766 0.380603 0.827316 -1.487622 \n", + " 79 0.222770 -3.129682 -0.568563 0.109213 -0.708357 \n", + " 80 0.179238 -1.156191 0.004197 -0.691917 1.341180 \n", + " 81 -2.306750 0.511482 -1.433657 -2.519554 1.312169 \n", + " 82 -2.450142 4.064651 0.264109 -1.525674 0.161924 \n", + " 83 -0.228935 3.167370 2.030271 -0.366488 -0.892391 \n", + " 84 2.081544 -0.412855 1.793252 1.412931 -0.062202 \n", + " 85 3.139995 -2.181413 0.291079 1.727583 -0.625297 \n", + " 86 3.477356 -1.549714 -1.861248 0.660776 -0.588776 \n", + " 87 0.916347 1.234603 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1.286070 -2.976237 \n", + " 70 -2.976237 -1.919862 3.621893 -1.581883 0.122843 0.323945 -1.534757 \n", + " 71 -1.534757 -3.261174 0.658382 -0.314782 -1.712093 -1.820405 -0.191403 \n", + " 72 -0.191403 -3.035443 -2.221915 1.646071 -1.994747 -1.222010 3.569117 \n", + " 73 3.569117 -0.064941 -3.931866 4.447516 -1.731809 -1.264840 2.120177 \n", + " 74 2.120177 2.000763 -2.688302 4.418267 0.720911 -0.552541 0.559687 \n", + " 75 0.559687 2.388950 -0.558741 0.342316 2.211136 0.160668 -2.004504 \n", + " 76 -2.004504 2.387879 2.791549 -3.626864 2.497297 -1.042424 -2.502157 \n", + " 77 -2.502157 0.225871 1.300311 -6.163266 1.114514 -0.478726 -1.687455 \n", + " 78 -1.687455 -1.278735 1.386269 -1.250504 -1.298757 -1.029316 -0.479914 \n", + " 79 -0.479914 -1.022931 0.302015 2.182299 -3.049618 1.704622 0.872687 \n", + " 80 0.872687 -1.029589 0.327059 3.429953 -0.741949 2.711257 0.469743 \n", + " 81 0.469743 0.406448 -0.060700 2.236191 -0.016861 1.268259 -0.105023 \n", + " 82 -0.105023 2.615751 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82 1.197222 -0.563314 -2.925364 2.998844 -1.859861 \n", + " 83 0.309326 -0.834606 -1.311656 2.022687 -1.437861 \n", + " 84 -2.505739 -1.896065 1.533578 0.234542 -0.798793 \n", + " 85 -0.187461 -1.299613 3.289499 -1.583584 1.945300 \n", + " 86 -0.590949 1.377019 2.286042 -2.612805 3.066540 \n", + " 87 0.609448 0.552117 0.132806 -2.030065 0.043373 \n", + " 88 1.928572 0.312337 -2.564483 -1.023827 -2.105581 \n", + " 89 1.879642 -0.257159 -2.380335 1.071873 -1.540923 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 3.262865 -0.998738 -2.225457 -0.270655 -0.335106 1.169663 2.857702 \n", + " 61 2.857702 -1.651232 -2.075401 0.811543 -0.396383 -0.012729 1.592541 \n", + " 62 1.592541 0.588509 -0.766591 2.884348 -0.788493 1.064877 -1.371235 \n", + " 63 -1.371235 2.838621 1.765412 1.528076 0.623929 -0.053066 -2.974887 \n", + " 64 -2.974887 2.720293 2.050827 1.383186 1.379242 0.750671 -1.561395 \n", + " 65 -1.561395 1.331196 -0.522120 -1.220484 0.159438 0.275418 -0.493095 \n", + " 66 -0.493095 0.026952 -1.268773 -3.354351 2.348704 0.639935 0.890087 \n", + " 67 0.890087 -2.124379 -2.046520 -0.950884 2.855904 0.307000 2.020316 \n", + " 68 2.020316 -2.670335 -0.902512 1.245655 0.629129 0.299759 1.064006 \n", + " 69 1.064006 -1.056181 -0.184485 2.437298 -0.982714 -0.860268 0.330127 \n", + " 70 0.330127 0.804237 1.176660 2.251727 -2.526648 -1.382603 -3.237305 \n", + " 71 -3.237305 2.999485 0.830707 0.150727 -3.139435 -2.488903 -3.593213 \n", + " 72 -3.593213 3.290378 -0.738335 -1.129431 0.415106 -0.785124 0.006466 \n", + " 73 0.006466 0.761416 -1.664562 -2.280732 2.928816 1.001666 3.117567 \n", + " 74 3.117567 -1.726211 -2.009004 -2.158772 5.648352 1.312691 5.297028 \n", + " 75 5.297028 -2.558293 -1.357651 -0.624157 3.396497 2.918646 3.037272 \n", + " 76 3.037272 -1.208592 -0.855416 0.110215 -2.830853 0.987387 0.347522 \n", + " 77 0.347522 -0.037173 0.055371 1.490620 -4.308259 -0.839575 -3.997416 \n", + " 78 -3.997416 0.549323 1.306851 2.933926 -3.233216 -2.790849 -4.269360 \n", + " 79 -4.269360 -0.660096 1.827394 1.147987 0.053580 -2.457523 -4.304405 \n", + " 80 -4.304405 -3.365532 1.361072 -0.496627 2.380230 -0.306221 3.086323 \n", + " 81 3.086323 -4.955508 0.323198 -2.673871 3.455040 1.229024 5.625039 \n", + " 82 5.625039 -2.562852 -0.990488 -3.923446 2.916201 4.535887 5.368636 \n", + " 83 5.368636 -1.573926 -0.570342 -0.832130 -0.146385 2.184667 -0.781668 \n", + " 84 -0.781668 1.693602 -0.580889 2.296095 -2.086119 0.347865 -5.433085 \n", + " 85 -5.433085 2.198580 -1.130030 5.082360 -0.594642 -2.189126 -4.287193 \n", + " 86 -4.287193 2.273405 -0.808077 4.206239 -1.127258 -3.180984 -0.340714 \n", + " 87 -0.340714 1.075434 0.365584 1.835434 0.073062 -1.855402 3.804668 \n", + " 88 3.804668 -1.140799 -0.665286 -1.199595 -1.464257 1.947387 4.658658 \n", + " 89 4.658658 -3.060021 0.818628 -1.717086 0.441083 4.775016 2.428994 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 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1.382552 -1.744184 \n", + " 62 -1.744184 1.497204 -0.798447 1.996459 -0.210120 2.269137 -1.685723 \n", + " 63 -1.685723 2.463315 1.225354 -1.036232 1.958403 1.046931 0.023875 \n", + " 64 0.023875 1.900196 1.742493 -1.840338 3.789354 -1.510794 0.439851 \n", + " 65 0.439851 -1.511178 1.122066 -3.238754 3.033248 -3.030950 1.241101 \n", + " 66 1.241101 -3.249206 -1.156793 -1.175318 -1.562454 -2.286322 -0.712275 \n", + " 67 -0.712275 -2.426949 -1.005932 1.021686 -4.712102 0.025392 -1.301948 \n", + " 68 -1.301948 -0.537148 -0.892291 3.412579 -5.668334 1.311899 -2.281669 \n", + " 69 -2.281669 2.370137 1.303178 1.935428 -2.952765 2.068329 2.300175 \n", + " 70 2.300175 3.727753 -0.317049 0.649624 0.080242 0.292405 2.272390 \n", + " 71 2.272390 3.545140 -0.471687 -1.292702 2.223902 -1.060196 2.157472 \n", + " 72 2.157472 -0.598735 -2.743018 -1.901808 1.393607 -0.972781 -0.344465 \n", + " 73 -0.344465 -4.223598 -2.839396 -0.822359 0.678123 -0.344902 -2.358678 \n", + " 74 -2.358678 -4.661940 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3.773625 0.631030 -0.135607 -0.560903 1.162573 0.483151 3.536276 \n", + " 88 3.536276 0.982720 -1.439663 -2.529233 -0.896999 -0.888065 -1.845284 \n", + " 89 -1.845284 -0.871012 -0.665207 -1.018938 -0.360740 -1.069991 -4.584388 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -0.820251 -1.043994 1.356703 -1.423421 1.382552 \n", + " 61 1.497204 -0.798447 1.996459 -0.210120 2.269137 \n", + " 62 2.463315 1.225354 -1.036232 1.958403 1.046931 \n", + " 63 1.900196 1.742493 -1.840338 3.789354 -1.510794 \n", + " 64 -1.511178 1.122066 -3.238754 3.033248 -3.030950 \n", + " 65 -3.249206 -1.156793 -1.175318 -1.562454 -2.286322 \n", + " 66 -2.426949 -1.005932 1.021686 -4.712102 0.025392 \n", + " 67 -0.537148 -0.892291 3.412579 -5.668334 1.311899 \n", + " 68 2.370137 1.303178 1.935428 -2.952765 2.068329 \n", + " 69 3.727753 -0.317049 0.649624 0.080242 0.292405 \n", + " 70 3.545140 -0.471687 -1.292702 2.223902 -1.060196 \n", + " 71 -0.598735 -2.743018 -1.901808 1.393607 -0.972781 \n", + " 72 -4.223598 -2.839396 -0.822359 0.678123 -0.344902 \n", + " 73 -4.661940 -1.181193 -2.027079 -0.148825 -0.741945 \n", + " 74 -0.590039 0.646658 0.079636 -2.427659 0.555466 \n", + " 75 3.174174 2.094352 1.150575 -0.802575 1.065682 \n", + " 76 2.738902 0.922025 2.351633 0.047470 2.226185 \n", + " 77 -1.325723 1.081020 2.855624 0.623979 2.570099 \n", + " 78 -2.318471 -0.738894 0.540435 0.560705 0.967681 \n", + " 79 -3.086457 -2.098244 -0.920443 0.045118 -0.246631 \n", + " 80 -1.040014 -0.839991 -2.576032 0.592540 0.488488 \n", + " 81 1.134267 -0.445092 -2.639505 -0.421573 -0.102867 \n", + " 82 1.347078 1.692721 -0.603946 -1.804525 -2.424867 \n", + " 83 0.724904 1.039654 2.816397 -0.900884 -1.244191 \n", + " 84 0.159092 0.756535 3.325421 -0.257398 -1.375548 \n", + " 85 0.060471 -0.824702 2.394721 -0.577602 0.271222 \n", + " 86 0.631030 -0.135607 -0.560903 1.162573 0.483151 \n", + " 87 0.982720 -1.439663 -2.529233 -0.896999 -0.888065 \n", + " 88 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2.452457 0.931697 1.813115 0.295440 0.635099 -2.817262 2.818569 \n", + " 71 2.818569 0.590252 1.821645 0.376092 2.004902 -3.015877 0.083823 \n", + " 72 0.083823 0.848107 2.361806 0.408268 1.611082 -0.377758 -2.610488 \n", + " 73 -2.610488 0.691511 0.446377 -1.146696 0.048779 1.061810 -2.793538 \n", + " 74 -2.793538 -1.263998 -0.897091 -0.651766 -0.923699 1.105273 -2.733693 \n", + " 75 -2.733693 -1.822542 -0.826907 0.189818 -1.025302 0.159337 1.052965 \n", + " 76 1.052965 -0.663824 -2.358854 0.729730 -0.844431 -0.777146 4.181226 \n", + " 77 4.181226 0.938109 0.444279 1.031860 1.317978 -0.731373 4.557585 \n", + " 78 4.557585 0.720967 0.126482 -0.165671 0.436859 -2.060981 1.273518 \n", + " 79 1.273518 1.283758 0.244413 0.296860 1.168375 -1.020748 -1.948375 \n", + " 80 -1.948375 -1.226101 0.604486 -0.500869 0.298280 0.102682 -4.386791 \n", + " 81 -4.386791 -0.494508 0.418634 0.330353 -1.064894 0.146473 -1.879109 \n", + " 82 -1.879109 0.551062 1.043869 1.191543 -0.902560 1.936496 0.522988 \n", + " 83 0.522988 1.626518 0.072699 0.947041 -0.343573 -0.945035 3.649777 \n", + " 84 3.649777 -0.783859 -1.389610 -0.776206 -0.959019 -1.789426 3.331701 \n", + " 85 3.331701 -2.114244 -3.808466 -0.808139 -0.509048 -0.221618 2.746009 \n", + " 86 2.746009 -2.032002 -2.923907 0.084494 0.615174 1.306685 0.686721 \n", + " 87 0.686721 -0.700041 -1.386485 -0.021244 0.453305 2.093774 -2.459898 \n", + " 88 -2.459898 1.614380 1.552895 1.463764 0.414330 1.323549 -3.215049 \n", + " 89 -3.215049 2.174911 2.495080 1.953343 0.109284 0.027797 -0.961253 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 0.629828 -1.827539 2.738483 -0.675962 0.172913 \n", + " 61 -1.769622 -1.002571 1.206167 -1.015079 -2.298656 \n", + " 62 -1.397822 2.405598 -0.567687 -0.181514 -2.829452 \n", + " 63 -0.895802 2.850276 -0.486300 0.703019 -3.399185 \n", + " 64 2.204206 1.028156 0.065218 0.388578 -0.763919 \n", + " 65 1.335813 0.257509 -0.769415 1.118270 0.760246 \n", + " 66 0.178033 -2.305563 0.177095 -1.695217 3.286245 \n", + " 67 0.100602 -1.660623 0.000750 -3.169408 2.514765 \n", + " 68 -1.074354 -0.195576 0.345218 -2.156164 -2.185370 \n", + " 69 0.931697 1.813115 0.295440 0.635099 -2.817262 \n", + " 70 0.590252 1.821645 0.376092 2.004902 -3.015877 \n", + " 71 0.848107 2.361806 0.408268 1.611082 -0.377758 \n", + " 72 0.691511 0.446377 -1.146696 0.048779 1.061810 \n", + " 73 -1.263998 -0.897091 -0.651766 -0.923699 1.105273 \n", + " 74 -1.822542 -0.826907 0.189818 -1.025302 0.159337 \n", + " 75 -0.663824 -2.358854 0.729730 -0.844431 -0.777146 \n", + " 76 0.938109 0.444279 1.031860 1.317978 -0.731373 \n", + " 77 0.720967 0.126482 -0.165671 0.436859 -2.060981 \n", + " 78 1.283758 0.244413 0.296860 1.168375 -1.020748 \n", + " 79 -1.226101 0.604486 -0.500869 0.298280 0.102682 \n", + " 80 -0.494508 0.418634 0.330353 -1.064894 0.146473 \n", + " 81 0.551062 1.043869 1.191543 -0.902560 1.936496 \n", + " 82 1.626518 0.072699 0.947041 -0.343573 -0.945035 \n", + " 83 -0.783859 -1.389610 -0.776206 -0.959019 -1.789426 \n", + " 84 -2.114244 -3.808466 -0.808139 -0.509048 -0.221618 \n", + " 85 -2.032002 -2.923907 0.084494 0.615174 1.306685 \n", + " 86 -0.700041 -1.386485 -0.021244 0.453305 2.093774 \n", + " 87 1.614380 1.552895 1.463764 0.414330 1.323549 \n", + " 88 2.174911 2.495080 1.953343 0.109284 0.027797 \n", + " 89 0.801807 1.495661 1.848330 1.010062 -0.901927 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -2.234305 1.057904 -2.431879 3.996343 -1.888671 -1.001321 0.041524 \n", + " 61 0.041524 2.914817 0.385592 2.592526 -2.418986 -0.047214 2.287534 \n", + " 62 2.287534 3.124593 2.264874 -0.142733 -0.886073 0.324981 2.216548 \n", + " 63 2.216548 1.219234 2.305431 -2.934141 2.347037 0.206114 -0.362595 \n", + " 64 -0.362595 -1.958035 -0.583588 -4.545260 2.058527 -1.870397 -1.367243 \n", + " 65 -1.367243 -3.331922 -4.031091 -1.366025 1.066488 -2.304902 -0.917193 \n", + " 66 -0.917193 -2.439897 -3.071789 0.781930 -1.612261 -1.936815 -1.442161 \n", + " 67 -1.442161 -0.740961 -2.488142 4.855436 -1.977300 0.561281 1.126792 \n", + " 68 1.126792 1.082806 1.557145 1.915990 -0.985257 1.058603 2.010138 \n", + " 69 2.010138 1.830127 1.503359 -0.613999 -0.749473 0.612084 1.229726 \n", + " 70 1.229726 -0.717689 1.413590 -3.363352 1.080882 -1.115603 -0.634088 \n", + " 71 -0.634088 -0.529395 0.339459 -4.449658 1.054359 -1.497560 -1.883727 \n", + " 72 -1.883727 -1.136922 0.085997 -1.681215 1.922623 -1.185294 -3.411172 \n", + " 73 -3.411172 -0.166210 -0.905001 1.339099 1.822293 1.152559 -1.271114 \n", + " 74 -1.271114 1.318300 -0.040674 2.362472 0.752660 2.067758 -0.630225 \n", + " 75 -0.630225 2.885983 1.128876 2.354871 -0.949773 0.849242 -0.906440 \n", + " 76 -0.906440 0.547165 -0.106878 0.856628 -1.610376 -0.559398 -0.217868 \n", + " 77 -0.217868 -0.357722 -0.361163 0.016239 0.949850 -0.775302 2.076068 \n", + " 78 2.076068 -1.824887 0.838648 -1.416676 1.955123 0.846376 1.357089 \n", + " 79 1.357089 -1.793211 0.648775 -0.997433 0.423559 1.921088 2.084392 \n", + " 80 2.084392 0.635117 1.285481 0.643497 -1.113981 1.165691 1.420715 \n", + " 81 1.420715 3.318562 1.157885 1.633008 0.163491 -0.369407 -0.957550 \n", + " 82 -0.957550 1.099338 0.062756 -0.335165 0.926208 -0.206248 -2.269373 \n", + " 83 -2.269373 0.262264 -0.021714 -0.616804 1.308775 -1.926899 -0.903314 \n", + " 84 -0.903314 -0.536685 -1.631701 -1.395834 -0.100663 -1.897773 1.933164 \n", + " 85 1.933164 -1.561369 -0.884576 0.187045 -0.293740 0.619188 1.875089 \n", + " 86 1.875089 -0.873307 -0.258200 0.982630 -0.913993 2.654418 -0.533306 \n", + " 87 -0.533306 1.226978 0.512267 1.350733 0.134545 1.754514 -2.496145 \n", + " 88 -2.496145 1.826498 1.345719 1.232539 -0.075482 -0.591318 -2.060195 \n", + " 89 -2.060195 1.611081 -0.312066 0.496698 -0.087888 -2.544625 -0.817834 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 2.914817 0.385592 2.592526 -2.418986 -0.047214 \n", + " 61 3.124593 2.264874 -0.142733 -0.886073 0.324981 \n", + " 62 1.219234 2.305431 -2.934141 2.347037 0.206114 \n", + " 63 -1.958035 -0.583588 -4.545260 2.058527 -1.870397 \n", + " 64 -3.331922 -4.031091 -1.366025 1.066488 -2.304902 \n", + " 65 -2.439897 -3.071789 0.781930 -1.612261 -1.936815 \n", + " 66 -0.740961 -2.488142 4.855436 -1.977300 0.561281 \n", + " 67 1.082806 1.557145 1.915990 -0.985257 1.058603 \n", + " 68 1.830127 1.503359 -0.613999 -0.749473 0.612084 \n", + " 69 -0.717689 1.413590 -3.363352 1.080882 -1.115603 \n", + " 70 -0.529395 0.339459 -4.449658 1.054359 -1.497560 \n", + " 71 -1.136922 0.085997 -1.681215 1.922623 -1.185294 \n", + " 72 -0.166210 -0.905001 1.339099 1.822293 1.152559 \n", + " 73 1.318300 -0.040674 2.362472 0.752660 2.067758 \n", + " 74 2.885983 1.128876 2.354871 -0.949773 0.849242 \n", + " 75 0.547165 -0.106878 0.856628 -1.610376 -0.559398 \n", + " 76 -0.357722 -0.361163 0.016239 0.949850 -0.775302 \n", + " 77 -1.824887 0.838648 -1.416676 1.955123 0.846376 \n", + " 78 -1.793211 0.648775 -0.997433 0.423559 1.921088 \n", + " 79 0.635117 1.285481 0.643497 -1.113981 1.165691 \n", + " 80 3.318562 1.157885 1.633008 0.163491 -0.369407 \n", + " 81 1.099338 0.062756 -0.335165 0.926208 -0.206248 \n", + " 82 0.262264 -0.021714 -0.616804 1.308775 -1.926899 \n", + " 83 -0.536685 -1.631701 -1.395834 -0.100663 -1.897773 \n", + " 84 -1.561369 -0.884576 0.187045 -0.293740 0.619188 \n", + " 85 -0.873307 -0.258200 0.982630 -0.913993 2.654418 \n", + " 86 1.226978 0.512267 1.350733 0.134545 1.754514 \n", + " 87 1.826498 1.345719 1.232539 -0.075482 -0.591318 \n", + " 88 1.611081 -0.312066 0.496698 -0.087888 -2.544625 \n", + " 89 -0.736320 -1.193022 0.021372 0.505670 -1.416145 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 1.881652 1.504533 0.310889 0.624089 1.772759 0.824027 2.998425 \n", + " 61 2.998425 -1.230983 0.279751 0.052622 1.526846 -1.181696 2.398990 \n", + " 62 2.398990 -2.905943 -0.105857 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2.058176 0.996134 1.197163 -1.256176 0.668059 1.677391 2.444938 \n", + " 76 2.444938 1.645735 1.747388 -1.352645 0.674871 0.621077 2.659391 \n", + " 77 2.659391 1.129096 1.211868 0.182050 0.434929 -2.501776 0.068282 \n", + " 78 0.068282 -1.935578 0.910026 0.008372 0.531915 -2.830916 -3.026511 \n", + " 79 -3.026511 -2.754679 -0.022815 -0.830554 -0.610918 -2.492386 -4.297696 \n", + " 80 -4.297696 -0.569996 -0.812599 0.892167 -1.078383 0.515900 0.723050 \n", + " 81 0.723050 0.995382 -2.007675 0.391013 0.543290 2.406645 4.058503 \n", + " 82 4.058503 1.479418 -1.438861 -2.167264 1.015501 0.878988 7.084350 \n", + " 83 7.084350 2.229069 -0.097604 -1.267306 0.583885 -2.346794 3.441263 \n", + " 84 3.441263 1.318623 2.313682 -1.662196 -0.946596 -1.819218 -0.776058 \n", + " 85 -0.776058 0.278031 2.568129 0.699151 -1.765235 -0.620273 -4.931686 \n", + " 86 -4.931686 -2.833365 1.603982 2.260929 -0.771172 1.790663 -4.838825 \n", + " 87 -4.838825 -3.367167 -0.341341 2.019524 -0.069833 1.431138 -2.728682 \n", + " 88 -2.728682 -2.251032 -1.931032 -0.664019 -0.951134 -0.163226 3.013876 \n", + " 89 3.013876 -0.619195 -2.369783 -1.670191 0.329694 -1.325283 6.090772 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -1.230983 0.279751 0.052622 1.526846 -1.181696 \n", + " 61 -2.905943 -0.105857 -2.101467 0.732558 -1.561028 \n", + " 62 -0.424025 1.308285 -1.674693 -0.125756 -2.083691 \n", + " 63 2.385969 1.355117 -0.893754 -2.439220 0.728704 \n", + " 64 2.175467 -0.257525 -1.001727 -2.949535 2.217689 \n", + " 65 0.599689 -1.597158 -0.577174 -0.423198 3.604072 \n", + " 66 -1.352991 0.305684 0.246157 1.916006 2.587846 \n", + " 67 -1.481878 0.533175 2.813115 2.723080 -0.790438 \n", + " 68 -1.792216 1.141789 2.059568 2.128772 -4.536541 \n", + " 69 -1.393381 0.864187 0.714310 0.711769 -3.123274 \n", + " 70 1.120297 -2.272515 0.283128 -2.328881 -0.879676 \n", + " 71 0.473938 -3.843004 -0.818302 -1.308259 0.414675 \n", + " 72 -0.177863 -2.315591 -0.067213 1.289557 0.459030 \n", + " 73 -1.017653 0.183627 -0.573849 2.004149 1.627870 \n", + " 74 0.996134 1.197163 -1.256176 0.668059 1.677391 \n", + " 75 1.645735 1.747388 -1.352645 0.674871 0.621077 \n", + " 76 1.129096 1.211868 0.182050 0.434929 -2.501776 \n", + " 77 -1.935578 0.910026 0.008372 0.531915 -2.830916 \n", + " 78 -2.754679 -0.022815 -0.830554 -0.610918 -2.492386 \n", + " 79 -0.569996 -0.812599 0.892167 -1.078383 0.515900 \n", + " 80 0.995382 -2.007675 0.391013 0.543290 2.406645 \n", + " 81 1.479418 -1.438861 -2.167264 1.015501 0.878988 \n", + " 82 2.229069 -0.097604 -1.267306 0.583885 -2.346794 \n", + " 83 1.318623 2.313682 -1.662196 -0.946596 -1.819218 \n", + " 84 0.278031 2.568129 0.699151 -1.765235 -0.620273 \n", + " 85 -2.833365 1.603982 2.260929 -0.771172 1.790663 \n", + " 86 -3.367167 -0.341341 2.019524 -0.069833 1.431138 \n", + " 87 -2.251032 -1.931032 -0.664019 -0.951134 -0.163226 \n", + " 88 -0.619195 -2.369783 -1.670191 0.329694 -1.325283 \n", + " 89 0.612835 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1.237596 \n", + " 84 1.237596 -0.540120 0.475041 0.678177 -0.362982 0.700509 1.071946 \n", + " 85 1.071946 -0.659231 -0.439229 1.357625 -1.090722 0.188836 0.581215 \n", + " 86 0.581215 -1.962852 -1.432475 1.499102 -1.557974 -0.761958 -0.231633 \n", + " 87 -0.231633 -2.553362 -0.461556 2.323088 -1.339376 -1.702678 0.170262 \n", + " 88 0.170262 -1.219019 0.981423 -0.596623 -0.059411 -2.055866 0.035747 \n", + " 89 0.035747 2.006200 0.880483 -0.514165 1.093089 -1.288274 -1.685527 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -1.488935 2.518781 0.615162 1.407563 -0.456516 \n", + " 61 -2.393755 0.913320 -2.585124 2.090041 -0.175354 \n", + " 62 -0.339711 -0.172080 -4.447160 0.778187 1.535135 \n", + " 63 0.580616 -1.571830 -4.902183 -0.959584 2.936794 \n", + " 64 1.828092 -1.974693 0.534747 -2.503464 2.438435 \n", + " 65 1.525046 -2.592006 5.342490 -2.864387 -0.399905 \n", + " 66 2.466658 0.018118 4.875281 -1.056073 -3.616328 \n", + " 67 -0.737224 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0.502487 -1.110471 -1.961757 1.235868 0.979272 \n", + " 63 -0.658409 -0.924924 -3.200424 0.611048 -1.191724 \n", + " 64 -0.924853 0.695470 -3.079045 -1.357561 -2.122748 \n", + " 65 -1.240581 2.849480 -0.147059 -3.113116 -0.327884 \n", + " 66 -0.336916 0.858441 1.838624 -1.959108 0.060819 \n", + " 67 0.607202 -1.506267 3.093163 -0.513181 3.062244 \n", + " 68 1.426576 -2.550172 1.128137 1.867712 1.849391 \n", + " 69 1.117844 -3.188923 -1.018385 1.518742 1.813964 \n", + " 70 0.746730 -0.037030 -1.949714 2.629842 -2.299988 \n", + " 71 -1.433000 3.579984 -0.862773 0.810627 -3.261968 \n", + " 72 -2.716599 3.015616 0.989027 -0.838462 -1.869832 \n", + " 73 -2.411058 2.051466 2.702027 -0.617981 -0.882119 \n", + " 74 0.311926 -0.541453 0.679058 0.342511 -0.292818 \n", + " 75 -1.040254 -0.603181 1.092594 0.781053 0.660527 \n", + " 76 0.140156 -0.029513 -1.022639 1.744593 1.131131 \n", + " 77 -1.586535 1.543429 -0.957549 1.894467 0.934099 \n", + " 78 -1.516142 1.063423 -0.245065 -0.871214 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4.576691 0.311150 0.167796 -1.981883 2.027704 -0.958609 -0.295993 \n", + " 64 -0.295993 -1.010519 -0.745160 -1.158973 1.847801 -0.260147 -3.509607 \n", + " 65 -3.509607 0.180367 0.338989 -0.486259 -0.228531 -0.427020 -4.343406 \n", + " 66 -4.343406 1.171590 0.043313 1.529249 -0.007335 -0.043079 -3.419318 \n", + " 67 -3.419318 0.789004 1.119576 1.582930 -1.286082 -0.727652 0.996668 \n", + " 68 0.996668 0.351666 -0.610564 0.333912 -0.260968 -0.007976 3.033692 \n", + " 69 3.033692 0.243130 0.778245 -1.212264 1.050911 0.869296 3.236630 \n", + " 70 3.236630 -0.727589 0.151605 -1.689701 1.522070 0.802358 -0.457178 \n", + " 71 -0.457178 -0.690474 -0.825098 -1.492085 0.718846 0.396840 -2.663826 \n", + " 72 -2.663826 0.387668 -2.120943 0.097154 0.201686 0.017166 -3.515396 \n", + " 73 -3.515396 1.601491 -1.830478 2.796904 -0.454042 -0.360521 -1.087144 \n", + " 74 -1.087144 0.121117 -0.084974 3.489552 -1.554192 -1.145096 2.866796 \n", + " 75 2.866796 -0.339617 2.371980 1.542942 -0.478600 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0.525615 -0.342741 \n", + " 85 0.447492 1.795983 0.291184 0.372567 0.564388 \n", + " 86 0.348356 -0.891524 2.213649 2.091079 -1.249898 \n", + " 87 0.298050 -1.772421 2.750544 1.072840 -1.085764 \n", + " 88 -0.394445 -1.689085 1.400441 -0.599305 -2.032167 \n", + " 89 0.198883 -1.409954 0.252679 -2.525278 -0.619233 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -3.187256 -1.845119 1.464419 -1.450202 -0.886686 -0.839873 -3.401291 \n", + " 61 -3.401291 -1.301804 1.825605 -1.379630 1.735251 -0.273759 -0.449865 \n", + " 62 -0.449865 0.108435 0.264935 0.268095 2.876003 0.789275 2.146334 \n", + " 63 2.146334 0.597059 -1.503790 2.142922 2.218576 -0.169037 2.812775 \n", + " 64 2.812775 -0.206871 -1.056144 4.122208 0.915995 -0.254108 0.559734 \n", + " 65 0.559734 -1.805391 -1.299688 3.118547 -2.210113 -1.803311 1.468527 \n", + " 66 1.468527 -1.233604 -0.442405 -2.042858 -2.918931 -0.656228 0.426712 \n", + " 67 0.426712 0.617130 -0.408477 -5.287627 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3.361640 -2.058496 -1.298270 \n", + " 64 -1.298270 -0.919491 -0.781548 -1.306657 1.500147 -1.343489 -2.368049 \n", + " 65 -2.368049 1.188613 0.524110 0.211374 -1.453643 1.589049 -1.840431 \n", + " 66 -1.840431 2.690977 0.385371 -0.330676 -2.357146 2.086022 -0.511025 \n", + " 67 -0.511025 3.080276 1.117569 -1.091092 -2.195654 -0.233135 0.523720 \n", + " 68 0.523720 2.697995 1.485507 -0.216731 -0.983252 -4.290945 -0.449713 \n", + " 69 -0.449713 1.511309 -0.077010 1.666030 -0.178062 -4.960821 -0.619492 \n", + " 70 -0.619492 0.648589 0.375064 1.862518 0.160215 -2.952665 -1.228636 \n", + " 71 -1.228636 -0.057061 1.449743 1.354601 1.901197 1.047147 -0.558444 \n", + " 72 -0.558444 -1.914726 1.029643 0.727461 0.860336 2.210802 1.196906 \n", + " 73 1.196906 -2.863734 1.994683 -0.238202 -0.947966 1.499250 1.443962 \n", + " 74 1.443962 -3.308421 1.847669 -1.204619 -0.531323 -0.666080 1.416854 \n", + " 75 1.416854 -2.366726 -0.650543 -0.002047 0.735484 -0.232453 -0.360158 \n", + " 76 -0.360158 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89 -0.355610 -2.455799 -0.148358 -0.013728 -0.262992 -2.275728 -3.780854 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -0.952814 0.676367 3.795046 0.048520 -0.733174 \n", + " 61 -0.751845 -0.551305 0.679185 2.942517 -2.749238 \n", + " 62 -1.817687 -1.973145 -0.183444 3.361640 -2.058496 \n", + " 63 -0.919491 -0.781548 -1.306657 1.500147 -1.343489 \n", + " 64 1.188613 0.524110 0.211374 -1.453643 1.589049 \n", + " 65 2.690977 0.385371 -0.330676 -2.357146 2.086022 \n", + " 66 3.080276 1.117569 -1.091092 -2.195654 -0.233135 \n", + " 67 2.697995 1.485507 -0.216731 -0.983252 -4.290945 \n", + " 68 1.511309 -0.077010 1.666030 -0.178062 -4.960821 \n", + " 69 0.648589 0.375064 1.862518 0.160215 -2.952665 \n", + " 70 -0.057061 1.449743 1.354601 1.901197 1.047147 \n", + " 71 -1.914726 1.029643 0.727461 0.860336 2.210802 \n", + " 72 -2.863734 1.994683 -0.238202 -0.947966 1.499250 \n", + " 73 -3.308421 1.847669 -1.204619 -0.531323 -0.666080 \n", + " 74 -2.366726 -0.650543 -0.002047 0.735484 -0.232453 \n", + " 75 1.296114 -0.007590 2.269306 0.522603 0.383166 \n", + " 76 2.667595 0.189075 2.950817 -0.285898 0.259685 \n", + " 77 3.515666 1.895875 1.577165 -0.730545 -0.208155 \n", + " 78 2.689167 2.503987 -1.264165 0.940923 -0.476323 \n", + " 79 0.708374 0.546987 -2.404092 1.070615 0.465916 \n", + " 80 -0.128555 -0.882959 -1.555883 0.813279 0.035211 \n", + " 81 -1.284352 0.109954 -1.600760 -0.693911 0.554286 \n", + " 82 -1.635079 0.797104 1.398549 -0.898859 -1.805065 \n", + " 83 0.638803 0.406405 0.779131 -0.890101 -1.587988 \n", + " 84 1.747592 0.407406 0.855629 -0.345264 -0.293160 \n", + " 85 0.406347 0.944317 0.356863 1.725088 1.302567 \n", + " 86 0.793906 1.184842 -0.084412 2.719791 1.885940 \n", + " 87 -1.467929 0.771107 -1.456646 0.385921 0.219383 \n", + " 88 -2.455799 -0.148358 -0.013728 -0.262992 -2.275728 \n", + " 89 -2.299102 -0.049291 -0.926701 -1.939716 -3.456137 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 2.275064 1.214050 -1.003962 -1.830210 -1.776676 0.730259 -2.174047 \n", + " 61 -2.174047 -0.500938 -2.287466 -3.712164 -1.393612 -0.684774 -5.154045 \n", + " 62 -5.154045 -2.334924 -2.277957 -2.407873 -1.425446 -1.415450 -4.205746 \n", + " 63 -4.205746 -0.395803 0.184118 0.692220 -0.692846 -1.424968 -1.859623 \n", + " 64 -1.859623 0.325206 1.302703 3.848622 1.243915 1.405249 0.901769 \n", + " 65 0.901769 1.669984 1.753428 3.160101 2.770854 0.421429 2.517161 \n", + " 66 2.517161 0.600389 0.850770 1.659653 0.604455 1.200923 3.477921 \n", + " 67 3.477921 -1.175858 0.096899 -2.220268 -0.779784 0.656155 3.360906 \n", + " 68 3.360906 -1.639218 -0.671374 -3.693891 -1.535182 -1.243399 -1.791352 \n", + " 69 -1.791352 -0.464805 0.298828 -4.432723 -0.813568 -2.405867 -4.222123 \n", + " 70 -4.222123 -0.459963 0.903088 0.244423 0.641671 -2.638526 -3.848828 \n", + " 71 -3.848828 0.481153 0.411295 2.384573 0.388771 -1.443261 -0.855934 \n", + " 72 -0.855934 -0.382533 -0.539600 2.934057 0.305116 0.695714 5.112448 \n", + " 73 5.112448 -1.185565 -1.888231 1.927258 -1.801545 1.551224 4.475796 \n", + " 74 4.475796 -0.723249 -1.716462 -0.428376 -2.329085 1.992312 0.825471 \n", + " 75 0.825471 1.508598 0.274270 -3.079473 -0.882989 -0.989872 -4.098704 \n", + " 76 -4.098704 0.982265 1.093108 -1.868835 -0.282550 -0.959873 -4.767684 \n", + " 77 -4.767684 -0.182674 0.558376 -0.729730 2.094086 -0.258074 -1.448489 \n", + " 78 -1.448489 -0.511974 -0.023360 0.659419 2.942761 1.676490 2.410955 \n", + " 79 2.410955 -0.484561 -1.035641 1.046625 1.592212 0.241093 3.842161 \n", + " 80 3.842161 1.140564 -1.443598 0.855280 1.368638 0.478754 1.971986 \n", + " 81 1.971986 0.031126 0.033102 1.500066 -1.295631 0.417822 0.351041 \n", + " 82 0.351041 0.663884 -0.097229 0.827577 -2.803568 0.109030 -2.460459 \n", + " 83 -2.460459 1.786770 -0.372456 0.865618 -1.060345 1.729813 -2.913920 \n", + " 84 -2.913920 2.479557 -1.382946 -0.637149 2.062460 0.243097 -0.966230 \n", + " 85 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\n", + " 86 -2.971954 -0.236020 -0.060381 0.966560 -1.047664 \n", + " 87 -2.485609 0.198822 1.063708 -2.691862 0.073366 \n", + " 88 0.894051 -0.888475 2.218064 -1.679164 1.394735 \n", + " 89 2.147638 -0.871294 3.280611 2.810044 0.287354 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 2.474403 -1.038674 -0.990974 1.332450 -0.164939 -3.103476 -0.935532 \n", + " 61 -0.935532 -1.093257 -3.254390 0.676791 1.422578 -3.410078 -3.157073 \n", + " 62 -3.157073 0.027427 -1.279689 0.434824 1.646681 -1.255057 -3.089318 \n", + " 63 -3.089318 -1.331961 1.038962 0.449984 0.784442 2.158697 -1.625094 \n", + " 64 -1.625094 -2.319425 3.341327 -0.061277 -0.374307 0.948896 1.083417 \n", + " 65 1.083417 -0.127085 1.573187 0.422325 -2.542050 1.394117 3.303262 \n", + " 66 3.303262 1.385573 -1.797623 -1.142012 -1.833158 0.701534 3.722426 \n", + " 67 3.722426 0.432194 -2.141439 0.161413 -1.940078 0.505609 0.774891 \n", + " 68 0.774891 -0.988772 -0.478429 -1.365863 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0.948896 \n", + " 64 -0.127085 1.573187 0.422325 -2.542050 1.394117 \n", + " 65 1.385573 -1.797623 -1.142012 -1.833158 0.701534 \n", + " 66 0.432194 -2.141439 0.161413 -1.940078 0.505609 \n", + " 67 -0.988772 -0.478429 -1.365863 -0.033471 -1.256974 \n", + " 68 -0.531680 1.938098 0.903977 0.852073 -1.421019 \n", + " 69 -0.178172 1.888405 1.198443 0.464888 0.264409 \n", + " 70 1.059931 0.753565 0.985608 0.466084 1.347699 \n", + " 71 1.188412 -1.432428 -0.423096 -1.602360 1.728931 \n", + " 72 0.172500 -1.191346 -2.335520 -1.454776 1.556865 \n", + " 73 0.086041 -2.336974 -1.858567 -1.656595 -0.015476 \n", + " 74 -1.498036 -2.182759 -1.372958 -0.388241 -0.264109 \n", + " 75 -0.869322 -1.416885 0.666934 1.983643 -1.246599 \n", + " 76 2.464102 0.027237 2.232649 2.897965 -0.106515 \n", + " 77 3.951575 0.924600 2.972474 1.111272 1.222890 \n", + " 78 1.834323 3.084592 -0.082621 -0.441140 2.169595 \n", + " 79 -1.099744 1.625883 -0.558089 -2.001482 1.405565 \n", + " 80 -2.799802 0.974156 -1.498868 0.019154 1.258082 \n", + " 81 -2.111255 0.723079 -1.992782 -1.053823 -0.795676 \n", + " 82 -0.324236 -0.757468 -0.812215 -1.835174 0.506768 \n", + " 83 3.502629 -2.926913 1.051642 -0.782736 0.362942 \n", + " 84 2.709646 -2.563197 1.971909 -0.488619 -0.233639 \n", + " 85 0.504846 -0.508225 1.201894 1.491629 0.645217 \n", + " 86 -2.860298 1.517849 0.299131 0.383057 0.249469 \n", + " 87 -1.897392 1.258929 -0.190099 0.461740 -1.365965 \n", + " 88 -1.253612 1.086257 -2.335870 -0.651303 -3.339594 \n", + " 89 0.577922 -0.076296 -1.554651 -1.357715 -2.559836 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.492635 1.193488 -0.964220 2.831891 -1.269955 0.728819 -2.060793 \n", + " 61 -2.060793 2.172567 -0.293455 3.796578 -0.047988 1.293631 -2.636127 \n", + " 62 -2.636127 1.845931 -0.470276 0.363265 0.779729 0.382279 -2.680137 \n", + " 63 -2.680137 1.136325 -2.203184 -2.789683 0.005814 -1.286493 -1.656874 \n", + " 64 -1.656874 -1.552302 -1.246983 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+ " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 2.172567 -0.293455 3.796578 -0.047988 1.293631 \n", + " 61 1.845931 -0.470276 0.363265 0.779729 0.382279 \n", + " 62 1.136325 -2.203184 -2.789683 0.005814 -1.286493 \n", + " 63 -1.552302 -1.246983 -4.307581 0.100406 -0.253156 \n", + " 64 -2.712956 -0.628700 -1.848399 -0.207035 0.936197 \n", + " 65 -2.128917 -1.253546 0.382256 0.128504 -0.502786 \n", + " 66 -0.240419 0.358938 3.714183 -0.052284 -1.455593 \n", + " 67 1.924889 -0.031177 3.220500 -1.172009 -3.021120 \n", + " 68 4.412772 0.523425 3.072120 -0.535665 -1.914405 \n", + " 69 2.691115 0.948435 1.697189 1.746470 -0.412968 \n", + " 70 -0.238007 -0.086537 -3.147830 2.511956 1.533213 \n", + " 71 -2.535294 1.843477 -5.728953 1.004609 1.826675 \n", + " 72 -1.358214 0.361318 -2.775036 -1.910376 0.245942 \n", + " 73 0.330379 0.855159 -0.221556 -3.772159 -2.583453 \n", + " 74 1.499392 0.505004 3.315236 -3.954455 -4.185574 \n", + " 75 1.624651 2.942868 4.346914 0.030224 -3.948526 \n", + " 76 -0.320824 1.707707 2.170419 3.798617 0.352397 \n", + " 77 0.192140 0.256077 -1.935862 2.621184 3.097828 \n", + " 78 -1.822955 -0.386627 -3.333789 -0.205787 4.175043 \n", + " 79 -0.709557 0.093560 -2.171547 -2.816909 1.794360 \n", + " 80 0.310025 1.435536 0.382372 -4.272931 -2.447567 \n", + " 81 0.551033 0.465772 3.810615 -3.171912 -3.538989 \n", + " 82 -0.268349 -0.266228 2.773418 -0.217766 -2.001551 \n", + " 83 -1.616365 0.207241 0.644424 2.415299 0.969353 \n", + " 84 -0.638142 -0.594434 -3.424642 1.409866 4.066861 \n", + " 85 -1.047459 -0.446301 -2.072921 -0.230156 4.167821 \n", + " 86 -0.397899 -0.171541 -2.178718 -2.019383 3.583835 \n", + " 87 0.531370 1.528750 -0.605347 -1.853846 0.466993 \n", + " 88 0.308185 0.809842 0.757465 -1.056238 -2.857040 \n", + " 89 0.748470 -0.632171 2.906095 -0.278676 -2.841532 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -3.464854 -1.832816 -0.174653 0.259981 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\n", + " 70 -3.788339 -0.794494 0.820048 1.515677 4.554011 \n", + " 71 -3.443180 -2.336929 3.360153 -0.026353 5.226525 \n", + " 72 -0.857480 -0.801321 2.054508 -1.699304 2.038723 \n", + " 73 2.103143 -0.032828 1.800791 -1.317875 -0.052055 \n", + " 74 3.388492 1.854603 -0.095451 1.065260 -4.631018 \n", + " 75 0.850402 2.134153 0.133786 2.569712 -4.281377 \n", + " 76 0.792891 1.487130 -0.973488 2.109466 -1.432639 \n", + " 77 -1.069978 -0.820207 -0.836315 0.122994 1.552846 \n", + " 78 -2.503558 -0.659449 0.860871 -0.057828 3.680980 \n", + " 79 -2.315952 0.413559 1.034675 -2.740701 1.505930 \n", + " 80 -1.476704 -0.064930 -0.868044 -1.633860 -1.194747 \n", + " 81 -0.112162 -0.930887 -2.783061 -1.003453 -3.236857 \n", + " 82 1.282381 -1.324384 -0.966959 2.565751 -2.240504 \n", + " 83 0.949938 -0.753315 -0.540983 1.765948 0.505677 \n", + " 84 1.144074 1.095962 0.801202 1.691550 3.380342 \n", + " 85 0.086111 1.977977 0.676387 0.254059 2.387153 \n", + " 86 0.169518 1.132813 -0.397354 -1.434396 0.147590 \n", + " 87 -1.154931 0.674632 -1.555009 -1.155983 -3.104066 \n", + " 88 -1.971793 -0.497200 -2.199325 -1.097270 -3.520772 \n", + " 89 -1.086998 -0.605018 -1.008407 -0.755047 0.004602 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.118219 -1.343190 -1.671193 -2.355654 -1.460661 -1.251164 1.412238 \n", + " 61 1.412238 -1.662818 0.662902 0.841870 0.141020 -0.799783 0.121210 \n", + " 62 0.121210 -0.268880 2.440944 3.221333 1.811004 -0.215863 1.452086 \n", + " 63 1.452086 0.218387 3.024580 4.153766 2.187800 0.722705 0.346343 \n", + " 64 0.346343 1.676698 0.577293 2.334207 -0.063633 0.988152 1.288118 \n", + " 65 1.288118 1.570718 -3.161838 -0.501500 -1.155203 0.237235 2.315858 \n", + " 66 2.315858 -1.292739 -4.671818 -0.942924 -1.205894 -0.747141 2.194168 \n", + " 67 2.194168 -1.675680 -1.618224 -0.470986 -2.307518 -0.238243 1.654346 \n", + " 68 1.654346 -1.060476 1.421196 0.604180 -0.666402 1.718830 -1.384830 \n", + " 69 -1.384830 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\n", + " 78 3.752041 1.457652 -0.230724 2.196113 0.303147 -0.355870 2.980880 \n", + " 79 2.980880 -2.170035 -0.577750 3.068385 2.008266 -0.392184 0.385406 \n", + " 80 0.385406 -1.825065 -0.567154 1.716316 3.178034 -0.938433 -1.872168 \n", + " 81 -1.872168 0.688344 -0.122636 1.033442 2.022348 -1.371062 -2.095597 \n", + " 82 -2.095597 1.599356 -0.941269 -0.613189 1.034829 -0.566376 -0.018585 \n", + " 83 -0.018585 0.000766 -1.211274 -2.079798 -0.114404 0.706195 0.867245 \n", + " 84 0.867245 -0.017016 -1.390916 -1.138061 -0.480119 2.738785 0.794309 \n", + " 85 0.794309 -0.176876 1.628998 0.774603 -2.014705 3.506099 1.397612 \n", + " 86 1.397612 0.420227 1.970413 2.372274 -1.661993 2.796578 0.951862 \n", + " 87 0.951862 1.356625 0.765103 0.769257 -2.514691 -1.584423 0.045636 \n", + " 88 0.045636 -0.450817 -3.508267 -0.857880 0.074091 -4.040436 -2.015435 \n", + " 89 -2.015435 -1.061422 -4.314483 -2.622413 1.898410 -1.345288 -1.996302 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 0.008732 -0.552263 -0.167876 -3.046541 0.543985 \n", + " 61 0.217695 -1.304316 0.022754 -1.759758 -1.091869 \n", + " 62 0.631366 -1.119518 1.761280 -0.167343 -0.157578 \n", + " 63 1.792723 1.201710 2.785211 2.411954 0.790412 \n", + " 64 -1.201408 1.170694 3.485478 2.634566 0.182407 \n", + " 65 -1.735033 0.970036 0.700816 2.282324 0.096216 \n", + " 66 -1.884537 -1.001683 -2.745488 -0.533986 0.070440 \n", + " 67 -0.790935 -0.350655 -2.510823 -2.377003 0.627108 \n", + " 68 0.038736 0.058842 -1.911890 -2.232081 0.165764 \n", + " 69 1.834455 0.774156 0.665298 -1.227418 -1.223745 \n", + " 70 1.577170 1.293903 1.399337 -0.455383 -1.275127 \n", + " 71 -0.143484 -1.542062 1.367575 1.755822 -1.249703 \n", + " 72 -0.461189 -0.531467 -0.526743 1.767643 -0.958754 \n", + " 73 -0.146485 -2.084130 -3.173413 0.761212 0.471554 \n", + " 74 0.541631 -2.262198 -3.233491 -1.778068 1.215338 \n", + " 75 0.416681 -1.322426 -1.995688 -2.211341 -0.347646 \n", + " 76 1.786280 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0.219517 \n", + " 74 0.219517 3.419164 1.955569 4.946192 -2.239255 0.727797 -0.224321 \n", + " 75 -0.224321 -0.209690 2.595755 5.127648 -0.485151 -1.048553 -0.224782 \n", + " 76 -0.224782 -4.166616 2.434316 0.811661 1.957396 -0.971907 -0.161303 \n", + " 77 -0.161303 -3.308008 0.418675 -4.096251 3.057698 -1.595461 -0.572904 \n", + " 78 -0.572904 -0.657048 0.158499 -6.464860 1.443851 -1.069809 -1.125856 \n", + " 79 -1.125856 1.926940 0.884323 -5.234382 -1.380808 1.775812 -1.827453 \n", + " 80 -1.827453 3.455210 0.130247 -0.574002 -2.916684 1.551780 -1.258977 \n", + " 81 -1.258977 3.181148 -1.940312 2.617914 -5.305719 0.954069 -0.004844 \n", + " 82 -0.004844 0.795904 -1.159582 3.972387 -4.430579 -1.588166 1.358367 \n", + " 83 1.358367 -2.176082 -1.175309 2.232671 -1.086524 -2.464509 2.681692 \n", + " 84 2.681692 -3.295164 0.973188 -0.826057 3.844225 -2.241165 3.047643 \n", + " 85 3.047643 -2.411864 2.890455 -2.465340 6.373428 -1.129394 -1.127837 \n", + " 86 -1.127837 -2.035201 2.785620 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2.042677 -0.718184 \n", + " 71 3.212726 -1.689383 -4.139951 -0.648250 -0.258600 \n", + " 72 5.307505 -0.443206 1.965477 -2.803724 1.240522 \n", + " 73 3.419164 1.955569 4.946192 -2.239255 0.727797 \n", + " 74 -0.209690 2.595755 5.127648 -0.485151 -1.048553 \n", + " 75 -4.166616 2.434316 0.811661 1.957396 -0.971907 \n", + " 76 -3.308008 0.418675 -4.096251 3.057698 -1.595461 \n", + " 77 -0.657048 0.158499 -6.464860 1.443851 -1.069809 \n", + " 78 1.926940 0.884323 -5.234382 -1.380808 1.775812 \n", + " 79 3.455210 0.130247 -0.574002 -2.916684 1.551780 \n", + " 80 3.181148 -1.940312 2.617914 -5.305719 0.954069 \n", + " 81 0.795904 -1.159582 3.972387 -4.430579 -1.588166 \n", + " 82 -2.176082 -1.175309 2.232671 -1.086524 -2.464509 \n", + " 83 -3.295164 0.973188 -0.826057 3.844225 -2.241165 \n", + " 84 -2.411864 2.890455 -2.465340 6.373428 -1.129394 \n", + " 85 -2.035201 2.785620 -2.200440 2.490472 -0.043273 \n", + " 86 -0.590106 1.923935 -2.355443 -3.290635 2.239354 \n", + " 87 0.930937 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0.553696 -0.086498 1.257944 \n", + " 70 1.257944 2.982970 1.172265 -1.023023 1.770174 0.897156 2.189200 \n", + " 71 2.189200 1.974453 -1.138415 -0.671705 0.684873 -1.118832 1.137647 \n", + " 72 1.137647 -1.696935 -1.936380 -0.012390 0.462524 -1.376543 -1.813177 \n", + " 73 -1.813177 -3.230779 -0.339893 0.170044 -0.845914 -0.740985 -2.358637 \n", + " 74 -2.358637 -2.505974 1.481134 2.114529 -0.555209 -1.311588 -1.857516 \n", + " 75 -1.857516 0.844192 4.115092 0.999567 -0.703949 -0.151682 -0.205376 \n", + " 76 -0.205376 3.166252 0.756737 -0.885138 0.293985 1.075243 0.973583 \n", + " 77 0.973583 3.618910 -2.232593 -2.303783 0.784390 1.041726 1.931186 \n", + " 78 1.931186 1.082722 -2.987955 -1.226331 -0.748084 0.048225 0.356001 \n", + " 79 0.356001 -1.455449 -1.134376 -0.891216 0.000256 -1.695465 -0.475582 \n", + " 80 -0.475582 -1.407977 0.389047 0.812076 -1.538098 -1.833660 -2.786787 \n", + " 81 -2.786787 -0.270902 1.342302 0.943521 -0.669215 -0.334537 -1.494407 \n", + " 82 -1.494407 0.484254 0.450467 -0.649942 -0.487784 0.708484 0.732837 \n", + " 83 0.732837 2.321132 -0.574330 -2.603086 0.808731 1.440377 1.560527 \n", + " 84 1.560527 1.819291 -2.266004 -0.450379 0.601264 -0.261853 0.988805 \n", + " 85 0.988805 -0.289290 -1.867312 0.240841 1.271201 -2.307314 1.235644 \n", + " 86 1.235644 -1.729803 0.404489 1.293507 -1.089716 -2.324197 0.406064 \n", + " 87 0.406064 -1.008360 1.714899 2.481590 -2.145235 -1.427575 -0.136433 \n", + " 88 -0.136433 -1.011929 2.937061 0.577854 -1.854742 1.741697 0.110671 \n", + " 89 0.110671 -0.779808 1.216857 1.430736 -0.399076 1.532006 -0.238795 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 1.423434 -1.185700 2.743809 -0.655317 -1.128150 \n", + " 61 2.851996 -1.086912 0.049283 1.689472 -2.246365 \n", + " 62 2.811002 0.570809 -1.584925 1.936455 -1.650213 \n", + " 63 1.103224 1.346946 -1.514554 1.638320 -0.738145 \n", + " 64 -2.130953 0.729087 -0.045363 -1.176770 1.520549 \n", + " 65 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0.708484 \n", + " 82 2.321132 -0.574330 -2.603086 0.808731 1.440377 \n", + " 83 1.819291 -2.266004 -0.450379 0.601264 -0.261853 \n", + " 84 -0.289290 -1.867312 0.240841 1.271201 -2.307314 \n", + " 85 -1.729803 0.404489 1.293507 -1.089716 -2.324197 \n", + " 86 -1.008360 1.714899 2.481590 -2.145235 -1.427575 \n", + " 87 -1.011929 2.937061 0.577854 -1.854742 1.741697 \n", + " 88 -0.779808 1.216857 1.430736 -0.399076 1.532006 \n", + " 89 1.386718 -1.104284 0.500996 2.119447 1.809279 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -1.167226 0.167392 -1.685509 -1.247271 -1.132011 -1.283324 -2.280404 \n", + " 61 -2.280404 -0.025239 -1.916570 0.295656 -3.049798 0.919540 -3.239596 \n", + " 62 -3.239596 0.883136 0.095351 0.763694 -2.187441 1.969424 -2.940880 \n", + " 63 -2.940880 -0.385556 -0.050009 2.480736 1.412647 1.743876 0.800873 \n", + " 64 0.800873 -0.413936 2.068421 -0.120846 1.688452 0.344982 3.344545 \n", + " 65 3.344545 -0.043613 2.858649 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0.517514 0.206294 -1.132402 1.208318 3.698926 0.388490 1.255694 \n", + " 79 1.255694 -0.962525 -0.857602 0.969281 2.100742 2.188003 -0.006574 \n", + " 80 -0.006574 -1.930397 0.286045 1.569053 -1.391181 2.500662 0.187281 \n", + " 81 0.187281 -1.526384 0.735018 -0.150289 -2.973972 0.473920 0.532088 \n", + " 82 0.532088 -0.175339 1.540847 -1.312730 -4.698008 0.075215 -0.149244 \n", + " 83 -0.149244 1.037076 0.971530 -2.219011 -1.744916 -2.206001 -0.206520 \n", + " 84 -0.206520 1.620385 1.097709 -0.844839 1.806090 -1.115976 0.091740 \n", + " 85 0.091740 2.242596 -1.252491 -0.005468 1.629252 -1.309366 0.970703 \n", + " 86 0.970703 0.244445 -0.889020 0.328863 2.298506 -0.497965 1.590650 \n", + " 87 1.590650 -1.800840 0.751319 0.795303 0.720622 0.192357 0.578302 \n", + " 88 0.578302 -0.499254 -0.608451 0.792281 0.625734 1.910050 0.780563 \n", + " 89 0.780563 -1.054341 -0.948198 1.532694 -1.636653 1.116860 1.719407 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -0.025239 -1.916570 0.295656 -3.049798 0.919540 \n", + " 61 0.883136 0.095351 0.763694 -2.187441 1.969424 \n", + " 62 -0.385556 -0.050009 2.480736 1.412647 1.743876 \n", + " 63 -0.413936 2.068421 -0.120846 1.688452 0.344982 \n", + " 64 -0.043613 2.858649 -1.348447 2.039165 -0.250046 \n", + " 65 0.491425 3.507978 -2.062056 1.071336 -0.306025 \n", + " 66 -0.590985 1.625797 -2.523370 0.823870 -0.607660 \n", + " 67 -0.666781 -0.166255 -1.393848 -1.710233 -0.401415 \n", + " 68 -1.846702 -1.578918 2.095835 -1.059427 0.299222 \n", + " 69 -1.540209 -2.098739 2.101022 -0.616314 -0.688610 \n", + " 70 0.152666 -2.039708 0.672615 0.871450 -0.298649 \n", + " 71 1.019862 -0.044612 -0.636590 3.507761 1.290824 \n", + " 72 0.000129 2.865856 -2.004953 1.552899 1.770791 \n", + " 73 -0.144117 4.000769 -1.678536 0.306273 1.268093 \n", + " 74 -0.498612 1.978117 -1.656998 -1.237523 -1.985477 \n", + " 75 0.525568 1.075937 0.236648 -0.712883 -2.864928 \n", + " 76 0.883893 -0.566037 2.263940 2.194865 -1.601640 \n", + " 77 0.206294 -1.132402 1.208318 3.698926 0.388490 \n", + " 78 -0.962525 -0.857602 0.969281 2.100742 2.188003 \n", + " 79 -1.930397 0.286045 1.569053 -1.391181 2.500662 \n", + " 80 -1.526384 0.735018 -0.150289 -2.973972 0.473920 \n", + " 81 -0.175339 1.540847 -1.312730 -4.698008 0.075215 \n", + " 82 1.037076 0.971530 -2.219011 -1.744916 -2.206001 \n", + " 83 1.620385 1.097709 -0.844839 1.806090 -1.115976 \n", + " 84 2.242596 -1.252491 -0.005468 1.629252 -1.309366 \n", + " 85 0.244445 -0.889020 0.328863 2.298506 -0.497965 \n", + " 86 -1.800840 0.751319 0.795303 0.720622 0.192357 \n", + " 87 -0.499254 -0.608451 0.792281 0.625734 1.910050 \n", + " 88 -1.054341 -0.948198 1.532694 -1.636653 1.116860 \n", + " 89 1.121406 -2.246503 -0.045191 -1.734408 -0.390020 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.398007 -1.479916 -0.460586 1.963485 0.778663 1.210486 0.882067 \n", + " 61 0.882067 -0.855101 -0.035233 4.074258 -1.066623 -1.343082 1.628291 \n", + " 62 1.628291 0.162431 -0.288115 1.099491 -2.725116 -0.726502 0.801720 \n", + " 63 0.801720 -0.475885 -3.177662 -3.396770 -2.776347 -0.637670 -0.620168 \n", + " 64 -0.620168 0.515000 -2.293142 -4.911863 -1.002465 0.816826 -0.861045 \n", + " 65 -0.861045 0.778586 0.805629 -1.780978 1.854739 1.291458 -1.070533 \n", + " 66 -1.070533 1.209739 4.369712 2.743951 3.258460 -0.209997 -1.912532 \n", + " 67 -1.912532 -1.977688 3.903134 5.127530 2.357577 0.363131 0.366923 \n", + " 68 0.366923 -1.232676 0.606916 3.151103 -0.574317 0.545037 0.887142 \n", + " 69 0.887142 2.599536 -2.886806 0.641680 0.023141 1.622852 -1.358916 \n", + " 70 -1.358916 3.479275 -4.479379 -2.211291 -1.753701 0.733647 -0.675350 \n", + " 71 -0.675350 3.838734 -2.998618 -4.513093 -0.751182 0.256657 0.133476 \n", + " 72 0.133476 1.275202 0.108603 -3.096559 -0.160155 -0.934443 0.676577 \n", + " 73 0.676577 -1.545327 3.349526 0.036517 1.473372 -0.347145 1.978592 \n", + " 74 1.978592 -2.655303 2.492451 1.975053 1.033512 1.746959 0.510410 \n", + " 75 0.510410 -1.747708 1.902057 2.143028 -0.153508 -0.027923 -1.807043 \n", + " 76 -1.807043 -0.213928 0.385088 -0.828867 0.666566 -0.863924 -4.338421 \n", + " 77 -4.338421 0.433653 0.063883 -2.684510 -0.087626 -1.836943 -4.083309 \n", + " 78 -4.083309 0.977052 -2.228163 -2.034469 0.443623 -0.016114 -0.256001 \n", + " 79 -0.256001 0.586525 0.197333 -0.869808 1.282626 0.850809 5.958040 \n", + " 80 5.958040 0.140962 -0.255633 4.122751 1.469220 1.962489 5.987298 \n", + " 81 5.987298 -0.296900 -0.665429 2.996892 0.275355 -0.321202 2.205598 \n", + " 82 2.205598 -0.403897 -3.168002 1.226043 -1.447568 -2.720313 -4.044254 \n", + " 83 -4.044254 -0.614493 -3.255016 -2.155671 -0.851214 -3.946684 -5.737718 \n", + " 84 -5.737718 -1.134317 -1.426159 -1.953780 0.890659 -2.981015 -2.924716 \n", + " 85 -2.924716 -1.579553 1.445963 -0.923854 1.559216 -0.568282 0.677553 \n", + " 86 0.677553 -0.794114 4.044008 0.717635 1.533358 2.080238 3.655744 \n", + " 87 3.655744 0.546354 3.126001 1.300627 -0.480809 1.500773 3.030372 \n", + " 88 3.030372 -0.476754 -0.755059 0.960152 -2.798714 0.372368 2.008380 \n", + " 89 2.008380 0.026488 -3.103756 -0.454796 -2.215750 0.187846 -0.328257 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 -0.855101 -0.035233 4.074258 -1.066623 -1.343082 \n", + " 61 0.162431 -0.288115 1.099491 -2.725116 -0.726502 \n", + " 62 -0.475885 -3.177662 -3.396770 -2.776347 -0.637670 \n", + " 63 0.515000 -2.293142 -4.911863 -1.002465 0.816826 \n", + " 64 0.778586 0.805629 -1.780978 1.854739 1.291458 \n", + " 65 1.209739 4.369712 2.743951 3.258460 -0.209997 \n", + " 66 -1.977688 3.903134 5.127530 2.357577 0.363131 \n", + " 67 -1.232676 0.606916 3.151103 -0.574317 0.545037 \n", + " 68 2.599536 -2.886806 0.641680 0.023141 1.622852 \n", + " 69 3.479275 -4.479379 -2.211291 -1.753701 0.733647 \n", + " 70 3.838734 -2.998618 -4.513093 -0.751182 0.256657 \n", + " 71 1.275202 0.108603 -3.096559 -0.160155 -0.934443 \n", + " 72 -1.545327 3.349526 0.036517 1.473372 -0.347145 \n", + " 73 -2.655303 2.492451 1.975053 1.033512 1.746959 \n", + " 74 -1.747708 1.902057 2.143028 -0.153508 -0.027923 \n", + " 75 -0.213928 0.385088 -0.828867 0.666566 -0.863924 \n", + " 76 0.433653 0.063883 -2.684510 -0.087626 -1.836943 \n", + " 77 0.977052 -2.228163 -2.034469 0.443623 -0.016114 \n", + " 78 0.586525 0.197333 -0.869808 1.282626 0.850809 \n", + " 79 0.140962 -0.255633 4.122751 1.469220 1.962489 \n", + " 80 -0.296900 -0.665429 2.996892 0.275355 -0.321202 \n", + " 81 -0.403897 -3.168002 1.226043 -1.447568 -2.720313 \n", + " 82 -0.614493 -3.255016 -2.155671 -0.851214 -3.946684 \n", + " 83 -1.134317 -1.426159 -1.953780 0.890659 -2.981015 \n", + " 84 -1.579553 1.445963 -0.923854 1.559216 -0.568282 \n", + " 85 -0.794114 4.044008 0.717635 1.533358 2.080238 \n", + " 86 0.546354 3.126001 1.300627 -0.480809 1.500773 \n", + " 87 -0.476754 -0.755059 0.960152 -2.798714 0.372368 \n", + " 88 0.026488 -3.103756 -0.454796 -2.215750 0.187846 \n", + " 89 2.003878 -4.872825 -1.095859 -0.139129 -1.012713 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -0.209775 1.983916 -1.399654 2.702434 -3.618466 2.779231 -0.761360 \n", + " 61 -0.761360 1.758685 0.859538 1.056490 -1.900676 2.514305 0.354054 \n", + " 62 0.354054 0.274470 0.152621 -1.655514 0.812150 -1.019162 1.203846 \n", + " 63 1.203846 -1.388322 1.126554 -1.869503 3.724072 -2.609569 0.225827 \n", + " 64 0.225827 -3.229540 1.071901 -1.110651 1.660682 -1.586151 -0.754077 \n", + " 65 -0.754077 -1.901526 2.611333 1.399496 -0.766115 -0.429593 0.314103 \n", + " 66 0.314103 0.741687 0.111993 2.635956 -2.249805 2.616262 0.101230 \n", + " 67 0.101230 3.352516 -0.580449 2.052722 -3.195358 1.762890 0.068388 \n", + " 68 0.068388 4.921416 -2.388240 1.233698 -1.175603 0.164272 0.125049 \n", + " 69 0.125049 1.977655 -2.473697 -1.529232 1.361067 -2.702633 1.158777 \n", + " 70 1.158777 -0.672836 0.224110 -3.440139 1.533563 -4.883118 2.025432 \n", + " 71 2.025432 -4.428374 2.122866 -2.867199 0.313816 -3.942198 0.145822 \n", + " 72 0.145822 -2.604815 2.365404 -0.794905 -0.125253 -0.293663 -0.384198 \n", + " 73 -0.384198 1.681565 0.526083 1.587665 -1.224827 3.362266 -1.979570 \n", + " 74 -1.979570 3.991158 -2.004997 2.629875 -1.142648 5.910755 -2.575205 \n", + " 75 -2.575205 4.393863 -1.519879 0.874901 -0.236475 1.205169 -0.524899 \n", + " 76 -0.524899 0.577445 0.320540 1.100972 1.773889 -0.133791 2.490564 \n", + " 77 2.490564 -1.490734 1.598248 -0.551581 1.379639 -3.893544 2.959845 \n", + " 78 2.959845 -2.297707 0.378391 0.042724 1.198809 -4.085242 1.045900 \n", + " 79 1.045900 0.032022 -0.808208 2.238310 0.038341 -0.983553 -0.899231 \n", + " 80 -0.899231 1.018718 -2.093362 0.310942 -1.813785 2.472030 -1.845194 \n", + " 81 -1.845194 1.332143 -0.779706 -0.175863 -2.035967 4.882394 -1.392098 \n", + " 82 -1.392098 0.469300 1.020278 -2.451785 -0.870250 1.910514 0.745574 \n", + " 83 0.745574 -0.565977 2.639429 -2.489304 0.884485 -0.145968 1.673265 \n", + " 84 1.673265 0.185552 2.615073 0.238968 0.817064 -2.389345 2.795449 \n", + " 85 2.795449 -0.004722 -0.325815 2.104353 0.658313 -2.383934 1.352611 \n", + " 86 1.352611 -0.695171 -2.703843 3.319148 0.571645 -0.435923 -0.766970 \n", + " 87 -0.766970 -2.411104 -2.744937 0.687423 0.234186 0.599716 -1.372550 \n", + " 88 -1.372550 -0.158052 -2.040457 -0.301968 1.964977 0.370966 -0.665064 \n", + " 89 -0.665064 -1.034281 0.923198 -2.121550 1.026455 0.140262 1.057973 \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 60 1.758685 0.859538 1.056490 -1.900676 2.514305 \n", + " 61 0.274470 0.152621 -1.655514 0.812150 -1.019162 \n", + " 62 -1.388322 1.126554 -1.869503 3.724072 -2.609569 \n", + " 63 -3.229540 1.071901 -1.110651 1.660682 -1.586151 \n", + " 64 -1.901526 2.611333 1.399496 -0.766115 -0.429593 \n", + " 65 0.741687 0.111993 2.635956 -2.249805 2.616262 \n", + " 66 3.352516 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0.185552 2.615073 0.238968 0.817064 -2.389345 \n", + " 84 -0.004722 -0.325815 2.104353 0.658313 -2.383934 \n", + " 85 -0.695171 -2.703843 3.319148 0.571645 -0.435923 \n", + " 86 -2.411104 -2.744937 0.687423 0.234186 0.599716 \n", + " 87 -0.158052 -2.040457 -0.301968 1.964977 0.370966 \n", + " 88 -1.034281 0.923198 -2.121550 1.026455 0.140262 \n", + " 89 1.422899 4.488055 -1.171351 0.445268 -1.498079 ,\n", + " position r-xyz position \\\n", + " x y z alpha_0 alpha_1 alpha_2 x_tar \n", + " 60 -2.165656 -1.012311 4.460661 0.512352 0.084778 -2.726044 -2.855503 \n", + " 61 -2.855503 0.290858 0.388224 -0.095945 0.367747 -1.614404 -0.791065 \n", + " 62 -0.791065 3.258051 -4.737279 -1.387328 0.905106 0.653974 0.549689 \n", + " 63 0.549689 2.324396 -5.277272 -0.615716 0.256732 1.775130 0.681464 \n", + " 64 0.681464 2.187001 -1.264876 -1.251307 -1.242144 1.298649 0.134990 \n", + " 65 0.134990 -0.565480 2.036034 -1.630925 -0.865789 0.191516 0.288091 \n", + " 66 0.288091 -1.475902 4.548979 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2.186398 \n", + " 96 2.186398 -4.278121 0.223753 -1.677035 -0.797954 1.138394 -3.640679 \n", + " 97 -3.640679 -1.241571 1.315692 -1.261810 -3.259736 1.250836 -5.556547 \n", + " 98 -5.556547 2.006398 2.990594 -1.144630 -3.090990 1.665750 -3.483941 \n", + " 99 -3.483941 2.661199 3.690363 -0.620511 -0.997891 0.045620 NaN \n", + " \n", + " r-xyz \n", + " y_tar z_tar alpha_0_tar alpha_1_tar alpha_2_tar \n", + " 90 1.492844 1.379604 1.138242 -0.882032 0.779170 \n", + " 91 4.609503 1.466612 0.287957 0.042796 -0.493009 \n", + " 92 2.653226 0.127196 0.853433 0.726961 -1.943584 \n", + " 93 0.670387 0.853268 -0.618125 1.573063 -3.138267 \n", + " 94 -1.506623 1.273260 -2.030426 2.030398 -1.343562 \n", + " 95 -4.278121 0.223753 -1.677035 -0.797954 1.138394 \n", + " 96 -1.241571 1.315692 -1.261810 -3.259736 1.250836 \n", + " 97 2.006398 2.990594 -1.144630 -3.090990 1.665750 \n", + " 98 2.661199 3.690363 -0.620511 -0.997891 0.045620 \n", + " 99 NaN NaN NaN NaN NaN ,\n", + " position r-xyz position 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"C:\\Users\\Stefan(local)\\Documents\\Coding\\trajectory_prediction\\src\\Python\\reworked\\predictor_box.py:623: UserWarning: n_preds > len(obs)!\n", + " warnings.warn('n_preds > len(obs)!')\n" + ] + }, + { + "data": { + "text/html": [ + "<div>\n", + "<style scoped>\n", + " .dataframe tbody tr th:only-of-type {\n", + " vertical-align: middle;\n", + " }\n", + "\n", + " .dataframe tbody tr th {\n", + " vertical-align: top;\n", + " }\n", + "\n", + " .dataframe thead th {\n", + " text-align: right;\n", + " }\n", + "</style>\n", + "<table border=\"1\" class=\"dataframe\">\n", + " <thead>\n", + " <tr style=\"text-align: right;\">\n", + " <th></th>\n", + " <th>TrialID</th>\n", + " <th>Model</th>\n", + " <th>Feature</th>\n", + " <th>Lag</th>\n", + " <th>Diff</th>\n", + " <th>Order</th>\n", + " <th>Error</th>\n", + " <th>Estimates</th>\n", + " <th>Targets</th>\n", + " </tr>\n", + " </thead>\n", + " <tbody>\n", + " <tr>\n", + " <th>0</th>\n", + " <td>0</td>\n", + " 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(position, x) \n", + "1 1 <statsmodels.tsa.arima_model.ARMA object at 0x... (position, x) \n", + "2 20 <statsmodels.tsa.arima_model.ARMA object at 0x... (position, x) \n", + "\n", + " Lag Diff Order Error Estimates \\\n", + "0 2 0 0 0.527052 [-0.0645277349362258, 0.1301659896513196, 0.26... \n", + "1 2 0 0 0.816722 [1.0006648375191916, -1.8025224877788146, -1.8... \n", + "2 2 0 0 1.070597 [-1.4138710136262314, 0.8020384338929414, 1.42... \n", + "\n", + " Targets \n", + "0 [-0.276320823391778, 0.22998104566612665, 0.48... \n", + "1 [-0.46951414155077487, -2.2561705878075404, -2... \n", + "2 [-2.234305461742375, 0.04152361335067889, 2.28... " + ] + }, + "execution_count": 19, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# The warning only means that there won't be n_preds=40 predictions, but only \n", + "# as much as there are observations\n", + "Mom_ar3.apply_arima_models(trial_id=[0,1,20], pred_step=1, p=2)" + ] + }, + { + "cell_type": "code", + "execution_count": 47, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[<matplotlib.lines.Line2D at 0x1c3cef5f518>]" + ] + }, + "execution_count": 47, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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\n", + "text/plain": [ + "<Figure size 432x288 with 1 Axes>" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "Results = Mom_ar3.results\n", + "y_hat = Results.loc[Results.TrialID == 20]['Estimates'].iloc[0]\n", + "y = Results.loc[Results.TrialID == 20]['Targets'].iloc[0]\n", + "plt.plot(y)\n", + "plt.plot(y_hat)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.6.5" + } + }, + "nbformat": 4, + "nbformat_minor": 2 +} diff --git a/navipy/forecasting/src/Python/reworked/data_generator.py b/navipy/forecasting/src/Python/reworked/data_generator.py new file mode 100644 index 0000000000000000000000000000000000000000..329fc4112f75e4a865b35fa9355207adf61f82f1 --- /dev/null +++ b/navipy/forecasting/src/Python/reworked/data_generator.py @@ -0,0 +1,17 @@ +import pandas as pd +import numpy as np + +frame = range(0,100) +columns = pd.MultiIndex.from_tuples([('position','x'), + ('position','y'), + ('position','z'), + ('r-xyz','alpha_0'), + ('r-xyz','alpha_1'), + ('r-xyz','alpha_2')]) + +df = pd.DataFrame(index=frame, columns=columns) + +for key in df.keys(): + df[key] = np.random.rand(100) + + \ No newline at end of file diff --git a/navipy/forecasting/src/Python/reworked/predictor_box.py b/navipy/forecasting/src/Python/reworked/predictor_box.py new file mode 100644 index 0000000000000000000000000000000000000000..ba6a498658c3c65890dec772fc728315ee8afa69 --- /dev/null +++ b/navipy/forecasting/src/Python/reworked/predictor_box.py @@ -0,0 +1,640 @@ +''' This moule contains all supporting class for the main program''' + +# standard imports +import pandas as pd +import random +from math import isnan + +# model related imports +from statsmodels.tsa.stattools import adfuller as df_test +from statsmodels.graphics.tsaplots import plot_acf +from statsmodels.graphics.tsaplots import plot_pacf +from statsmodels.tsa.stattools import acf +from statsmodels.tsa.stattools import pacf +from statsmodels.tsa.arima_model import ARIMA +from sklearn.metrics import mean_squared_error as MSE + +# maintenance/development imports +import pdb +import warnings + +class Investigator: + ''' This class provides methods for time series analysis like + ACF and PACF, as well as stability checks. Invoking an instance of this + class requires the data which is wished to be investigated. The expected + data structure is equal to the one used in navipy, which is given by + + pd.MultiIndex.from_tuples([('position', 'x'), + ('position', 'y'), + ('position', 'z'), + ('r-xyz', 'alpha_0'), + ('r-xyz', 'alpha_1'), + ('r-xyz', 'alpha_2')]) + + You can provide a single MultiIndex or a list of MultiIndex. + ''' + + def __init__(self, data): + + if isinstance(data, list): + self.data = data + elif isinstance(data, pd.core.frame.DataFrame): + self.data = [data] + else: + print('Investigator not initilaized due to bad data format.\n' + + 'Please make sure data is either a pandas.MultiIndex \n' + + 'or a list of pandas.MultiIndex.') + + '''####################################################''' + '''### Stationarity investigation related functions ###''' + '''####################################################''' + + def check_stationary(self, trial_id=-1, + sig_level=None, + print_res=False, + diff_order=0): + ''' Checks selected data for stationarity. + + This function checks selected data for stationarity in a time-series + context with a dickey-fuller test. It returns a pandas dataframe of + booleans, where each row is one trial and each column one feature dim- + emnsion. + + Keyword arguments: + trial_id -- int or [int] containing the id of the trials to be investi + gated. If trial_id = -1, all trials are checked. + Default = -1 + sig_level -- float level of significance. + Default = 0.05 + print_res -- boolean value, if true, results are printed. + Default = False + diff_order -- int in [0,3]. Number of times the time-series is + differenced befor it is checked for stability. + Default = 0 + + Returns: + stationarity_df -- pandas dataframe of booleans. + ''' + + _valid_id_ = True + if not isinstance(trial_id, list): + if isinstance(trial_id, int): + if trial_id is -1: + trial_id = range(0, len(self.data)) + else: + trial_id = [trial_id] + else: + if not isinstance(trial_id[0], int): + _valid_id_ = False + warnings.warn( + 'trial_id not valid format. Must be int or [int]'+ + 'Returned stationarity_df is empty.') + elif trial_id[0] is -1: + trial_id = range(0, len(self.data)) + + if sig_level is None: + sig_level = 0.05 + _valid_, sig_level = self._stability_args_validation_(sig_level) + stationarity_df = self._create_df_template_(trial_id=trial_id) + if _valid_ and _valid_id_: + t = 0 + for ID in trial_id: + trial = self.data[ID] + for dim in trial.columns: + series = trial[dim] + series = self._diff_series_(series, diff_order) + res = df_test(series) + p_val = res[1] + + if p_val > sig_level: + stationarity_df[dim][t] = False + else: + stationarity_df[dim][t] = True + t = t+1 + else: + warnings.warn( + 'Input sig_level is not in valid format.\n' + + 'Returned stationarity_df is empty.') + return stationarity_df + + def _stability_args_validation_(self, sig_level): + valid = True + if isinstance(sig_level, float): + if sig_level >= 1 or sig_level <= 0: + valid = False + print('Significance level outside of valid boundaries (0,1)') + if isinstance(sig_level, str): + try: + sig_level = float(sig_level) + except: + valid = False + print('Significance level is string' + + 'that can not be casted onto float') + if isinstance(sig_level, float): + if sig_level >= 1 or sig_level <= 0: + valid = False + print('Significance level outside of valid boundaries (0,1)') + + return valid, sig_level + + '''####################################################################''' + '''### Autocorrelation and Partial autocorelation related functions ###''' + '''####################################################################''' + + def plot_cf_function(self, function_type='acf', + trial_id=0, dim=('position', 'x'), + ): + ''' Plots results of either ACF or PACF for a single dimension. + + This function plots the results of an auto-correlation-function (ACF) + or partial ACF (PACF), depending on the selected funtion_type, for a + single dimension. + It is basically acting as a tunnel-implementation of plot_acf/_pacf + of the statsmodels.graphics.tsaplots module. + + Keyword arguments: + trial_id -- int or [int] containing the id of the trials to be investi + gated. If trial_id = -1, all trials are checked. + Default = -1 + dim -- tuple of features like ('position','x'). This column in data + is used as a time series and plotted + + Returns: + figs -- list of pyplot figures [fig]. + ''' + + valid = True + if not isinstance(trial_id, list): + if isinstance(trial_id, int): + if trial_id is -1: + trial_id = range(0, len(self.data)) + else: + trial_id = [trial_id] + else: + if not isinstance(trial_id[0], int): + valid = False + warnings.warn( + 'trial_id not valid format. Must be int or [int]') + elif trial_id[0] is -1: + trial_id = range(0, len(self.data)) + + if not isinstance(dim, list): + if isinstance(dim, tuple): + dim = [dim] + else: + if (not isinstance(dim[0], str) or + not isinstance(dim[1], str)): + valid = False + warnings.warn( + 'dim not valid format. Must be tuple or [tuple] of str') + figs = [] + if valid is True: + num = 1 + for ti in trial_id: + trial = self.data[ti] + for d in dim: + series = trial[d] + if function_type is 'acf': + fig = plot_acf(series) + elif function_type is 'pacf': + fig = plot_pacf(series) + figs.append(fig) + num = num+1 + return figs + + def get_significant_lags(self,trial_id=-1, function_type='acf', n_lags=40, + sig_level=0.05, diff_order=0): + ''' This function analysis the data for the number of significant + legs with respect to either autocorrelation fucntion (acf) or + partial acf (pacf). It returns the last significant lag.''' + valid_input = True + if not isinstance(trial_id, list): + if isinstance(trial_id, int): + if trial_id is -1: + trial_id = range(0, len(self.data)) + else: + trial_id = [trial_id] + else: + if not isinstance(trial_id[0], int): + valid_input = False + warnings.warn( + 'trial_id not valid format. Must be int or [int]'+ + 'Returned stationarity_df is empty.') + elif trial_id[0] is -1: + trial_id = range(0, len(self.data)) + if function_type is not 'acf' and function_type is not 'pacf': + valid_input = False + print('function_type must be either \'acf\' or \'pacf\'') + elif not isinstance(n_lags, int): + valid_input = False + print('n_lags should be int type, but is sth. else.') + elif (not isinstance(sig_level, float) and + not isinstance(sig_level, int)): + valid_input = False + print('Significance level should be either' + + 'float or int, but is not') + elif sig_level >= 1 or sig_level <= 0: + valid_input = False + print('Significance level outside of valid boundaries (0,1)') + significant_lags_df = self._create_df_template_(trial_id=trial_id) + if valid_input is True: + t = 0 + for ID in trial_id: + trial = self.data[ID] + for key in trial: + series = trial[key] + series = self._diff_series_(series, diff_order) + if function_type is 'acf': + cf_val, cf_conf_val = acf( + series, nlags=n_lags, alpha=sig_level) + elif function_type is 'pacf': + cf_val, cf_conf_val = pacf( + series, nlags=n_lags, alpha=sig_level) + significant_lags_df.iloc[t][key] = self._find_last_significant_lag_value_( + cf_val, cf_conf_val) + t = t+1 + else: + warnings.warn( + 'Input Arguments not valid! Returned dataframe is empty!') + return significant_lags_df + + def _diff_series_(self, series, order): + ''' This function differs the time series, which is used to introduce stability + It returns a new time series, which is differed.''' + if order is not 0: + diff = list() + for i in range(order, len(series)): + val = series[i]-series[i-order] + diff.append(val) + res = pd.Series(diff) + else: + res = series + return res + + def _find_last_significant_lag_value_(self, cf_val, cf_conf_val): + ''' This function finds the last lag value that is significant by + comparing the calculated correlation function value cf_val with the + corresponding confidence intervalls ''' + t = 0 + is_in_interv = False + while (is_in_interv is False and t < len(cf_val)): + if t < len(cf_val): + upper_margin = cf_conf_val[t, 1] - cf_val[t] + lower_margin = cf_conf_val[t, 0] - cf_val[t] + if cf_val[t] < upper_margin: + is_in_interv = True + if cf_val[t] < 0 and cf_val[t] > lower_margin: + is_in_interv = True + else: + t = t-1 + t = t+1 + + return (t-1) + + '''###################################''' + '''### General assisting functions ###''' + '''###################################''' + + def _create_df_template_(self, trial_id): + n_trials = range(0, len(trial_id)) + + columns=self.data[0].columns + df = pd.DataFrame(index=n_trials, columns=columns) + return df + + +class Modelmaker: + + def __init__(self, data): + if isinstance(data, list): + self.data = data + self.model = {} + self.tr_set = None + self.te_set = None + self.ev_set = None + ''' + temp_dict = {'TrialID': None, + 'Model': None, + 'Feature': None, + 'Lag': None, + 'Diff': None, + 'Order': None, + 'Error': None, + 'Estimates': None, + 'Targets': None + } + ''' + columns = ['TrialID','Model','Feature','Lag','Diff','Order', + 'Error','Estimates','Targets'] + self.results = pd.DataFrame(columns=columns) + + elif isinstance(data, pd.core.frame.DataFrame): + self.data = [data] + else: + print('Investigator not initilaized due to bad data format.\n' + + 'Please make sure data is either a pandas.MultiIndex or' + + 'a list of pandas.MultiIndex.') + + '''##################################''' + '''### Train/Test/Eval allocation ###''' + '''##################################''' + + def setup_data(self, random_split=True, + tr_size=.6, + te_size=.3, + ev_size=.1, + pred_size=-1, + split_type='inter'): + ''' This function put data into train, test and eval set + + This function splits all trials in data into training, test + and evaluation set and creates targets from a given shift. + The number of trials in each set depends on + the user specified allocation. + Furthermore, the user has to select pred_size, which determines + how far into the future the prediction shall take place + + Keyword arguments: + random_split -- bool determining if data is allocated randomly to each set + Default = True + tr_size -- float determining the percentage of over all data allocated to + training set. + Default = .6 + te_size -- float determining the percentage of over all data allocated to + test set. + Default = .3 + ev_size -- float determining the percentage of over all data allocated to + evaluation set. + Default = .1 + MIND THAT tr_size + te_size + ev_size = 1 HAS TO BE TRUE + + pred_size -- int <= 0 determining the shift of target to input data. Number + has to be negative to be consistent with numpy shift method. + Default = -1 + split_type -- string 'inter' or 'intra' determining how the sets are created. + When 'inter', each set consists of complete, independent trajectories + - Use this for neural networks + When 'intra', each trajectory is cut into a training and a test part + - Use this for ARIMA models + Default = 'intra' + + Returns: + ls_df_tr -- list of pandas.DataFrames, one entry per trajectory in training set + ls_df_te -- list of pandas.DataFrames, one entry per trajectory in test set + ls_df_ev -- list of pandas.DataFrames, one entry per trajectory in evaluation set''' + + if split_type is 'inter': + ls_df_tr, ls_df_te, ls_df_ev = self._inter_split_data_set_( + tr_sz=tr_size, + te_sz=te_size, + ev_sz=ev_size, + rn_splt=random_split) + ls_df_tr = self._extend_df_by_shifted_targets_(ls_df_tr, pred_size) + ls_df_te = self._extend_df_by_shifted_targets_(ls_df_te, pred_size) + ls_df_ev = self._extend_df_by_shifted_targets_(ls_df_ev, pred_size) + elif split_type is 'intra': + extended_shifted_data = self._extend_df_by_shifted_targets_( + self.data, pred_size) + ls_df_tr, ls_df_te, ls_df_ev = self._intra_split_data_set_( + extended_shifted_data, tr_sz=tr_size, te_sz=te_size, + ev_sz=ev_size) + self.tr_set = ls_df_tr + self.te_set = ls_df_te + self.ev_set = ls_df_ev + + return ls_df_tr, ls_df_te, ls_df_ev + + def _extend_df_by_shifted_targets_(self, df, pred_size): + '''This function shifts the df against itself by a shift + of pred size''' + trial_i = 0 + for trial in df: + # for each key + for key in trial.keys(): + # shift the rows + target = trial[key].shift(pred_size) + # add to df + t_key = key[1]+'_tar' + df[trial_i][key[0], t_key] = target + df[trial_i].sort_index(axis=1) + trial_i = trial_i+1 + return df + + def _intra_split_data_set_(self, df, tr_sz, te_sz, ev_sz): + + data = df + ls_df_tr = [] + ls_df_te = [] + ls_df_ev = [] + + for trial in data: + n_samples = len(trial) + n_tr_elem = round(tr_sz*n_samples) + n_te_elem = round(te_sz*n_samples) + + start = 0 + stop = n_tr_elem + ls_df_tr.append(trial.iloc[start:stop]) + + start = stop + stop = n_tr_elem+n_te_elem + ls_df_te.append(trial.iloc[start:stop]) + + start = stop + stop = n_samples + ls_df_ev.append(trial.iloc[start:stop]) + return ls_df_tr, ls_df_te, ls_df_ev + + def _inter_split_data_set_(self, tr_sz, te_sz, ev_sz, rn_splt): + + data = self.data + + ls_df_tr = [] + ls_df_te = [] + ls_df_ev = [] + + n_trials = len(data) + n_tr_elem = round(tr_sz*n_trials) + n_te_elem = round(te_sz*n_trials) + n_ev_elem = round(ev_sz*n_trials) + if (n_tr_elem is 0 or + n_te_elem is 0): + print('0 allocation to one set!' + + 'User more data or change allocation!') + if rn_splt is True: + rn = random.sample(range(0, n_trials), n_trials) + else: + rn = range(0, n_trials) + + start = 0 + stop = n_tr_elem + for i in range(start, stop): + trial_i = rn[i] + ls_df_tr.append(data[trial_i]) + + start = stop + stop = n_tr_elem+n_te_elem + for i in range(start, stop): + trial_i = rn[i] + ls_df_te.append(data[trial_i]) + + if n_ev_elem is not 0: + start = stop + stop = n_trials + for i in range(start, stop): + trial_i = rn[i] + ls_df_ev.append(data[trial_i]) + + return ls_df_tr, ls_df_te, ls_df_ev + + '''#######################''' + '''### ARIMA modelling ###''' + '''#######################''' + + def apply_arima_models(self, + p=1, + d=0, + q=0, + pred_step=1, + dim=('position', 'x'), + trial_id=-1, + n_preds=40, + rolling=True, + override=True, + metric = MSE + ): + ''' This function applies ARIMA models to data and saves results internally + + This function applies an ARIMA(p,d,q) model to all trials selected with trial_id. + The results are internally saved in Modelmaker.results, where you can see predictions + or directly access the model instance. + + Keyword arguments: + p -- int > 0, number of lag observations + Default = 1 + d -- int > 0, order of differentiation + Default = 0 + q -- int > 0, size of MA window + Default = 0 + pred_step -- int > 0, forecasting horizon + dim -- str tuple matching any feature in data, determining which feature values are used in + this model. + Default = ('position','x') + trial_id -- [int >0] or int >= -1, If list of int, all trials which ID matches any element of + said list will be fitted by an ARIMA model. If int is -1, all trials will be fitted by + and ARIMA model + Default = -1 + n_preds -- int > 0, number of predictions that shall be made. If this number is largere than the + number of observations estimates can be compared to, it will throw a warning and will only + produce len(observation) estimates. + Default = 40 + rolling -- bool, if True, after each estimate, the actual observation is added to the history, + and the model parameters are fitted to the updated history, befor making the next + estimate + Default = True + override -- bool, if True, if the trial_id has already been fitted by an ARIMA, these results will + be deleted and the new results will be shown for this row in results. If False, + a new row is added (MIND that TrialID is not unique anymore in this case) + Default = True + metric -- function(list,list), user defined metric funtcion that handles two list arguments of the + same length as inputs. Takes EXACTLY two list inputs, so modify before passing as argument. + Note: Pass without brackets e.g. metric = my_metric BUT NOT LIKE metric = my_metric() + Default = sklearn.metrics.mean_squared_error + Returns: + self.results -- Pandas dataframe, where each row contains informations about the fitted model + to the respective trial id + ''' + valid = True + if not isinstance(trial_id, list): + if isinstance(trial_id, int): + if trial_id is -1: + trial_id = range(0, len(self.data)) + else: + trial_id = [trial_id] + else: + if not isinstance(trial_id[0], int): + valid = False + warnings.warn( + 'trial_id not valid format. Must be int or [int]' + + 'Returned stationarity_df is empty.') + elif trial_id[0] is -1: + trial_id = range(0, len(self.data)) + if valid is True: + for ti in trial_id: + history = [x for x in self.tr_set[ti][dim]] + observations = [x for x in self.te_set[ti][dim]] + model, predictions, observations = self._create_single_arima_( + p=p, + d=d, + q=q, + hist=history, + obs=observations, + n_preds=n_preds, + pred_step=pred_step, + rolling=rolling + ) + if not callable(metric): + error = None + warnings.warn('metric not valid format. Must be callable' +\ + ' function') + else: + try: + error = metric(predictions,observations) + except: + warnings.warn('metric not valid format. Function must'+\ + ' have two input arguments') + error = None + if ti in self.results.TrialID.values and\ + override is True: + self.results.loc[ti]['TrialID'] = ti + self.results.loc[ti]['Model'] = model + self.results.loc[ti]['Feature'] = dim + self.results.loc[ti]['Lag'] = p + self.results.loc[ti]['Diff'] = d + self.results.loc[ti]['Order'] = q + self.results.loc[ti]['Error'] = error + self.results.loc[ti]['Estimates'] = predictions + self.results.loc[ti]['Targets'] = observations + elif ti not in self.results.TrialID.values or\ + override is False: + temp_dict = {'TrialID': ti, + 'Model': model, + 'Feature': [dim], + 'Lag': p, + 'Diff': d, + 'Order': q, + 'Error': error, + 'Estimates': [predictions], + 'Targets': [observations] + } + self.results = self.results.append( + pd.DataFrame(temp_dict, + index=[0 if isnan(self.results.index.max())\ + else self.results.index.max()+1])) + return self.results + + def _create_single_arima_(self, hist, p, d, q, obs, n_preds, + pred_step, rolling): + if n_preds > len(obs): + n_preds = len(obs) + warnings.warn('n_preds > len(obs)!') + predictions = [] + relevant_obs = [] + if rolling is True: + for t in range(0, n_preds): + model = ARIMA(hist, order=(p, d, q)) + model_fit = model.fit(disp=0) + output = model_fit.forecast(pred_step) + hat = output[0][-1] + predictions.append(hat) + relevant_obs.append(obs[t]) + hist.append(obs[t]) + + elif rolling is False: + model = ARIMA(hist, order=(p, d, q)) + model_fit = model.fit(disp=0) + output = model_fit.forecast(n_preds) + predictions = output[0] + relevant_obs = obs[0:n_preds] + + return model, predictions, relevant_obs diff --git a/navipy/forecasting/src/Python/reworked/test_predictor_box.py b/navipy/forecasting/src/Python/reworked/test_predictor_box.py new file mode 100644 index 0000000000000000000000000000000000000000..c61a96b114e60d1b31b45c9cdadc33c14a7a346e --- /dev/null +++ b/navipy/forecasting/src/Python/reworked/test_predictor_box.py @@ -0,0 +1,340 @@ +import predictor_box as pbox +from matplotlib import pyplot as plt +import unittest +import pandas as pd +import numpy as np +import pdb +from statsmodels.tsa.arima_process import ArmaProcess +import math +import copy + + +class GeneralProvider(): + + def _generate_random_data_(self, is_stationary, n_samples=1000): + frame = range(0, n_samples) + columns = pd.MultiIndex.from_tuples([('position', 'x'), + ('position', 'y'), + ('position', 'z'), + ('r-xyz', 'alpha_0'), + ('r-xyz', 'alpha_1'), + ('r-xyz', 'alpha_2')]) + + df = pd.DataFrame(index=frame, columns=columns) + for key in df.keys(): + if is_stationary: + df[key] = np.random.rand(n_samples) + if not is_stationary: + df[key] = np.linspace(0, 100, n_samples) + + return df + + def _generate_ar1_data_(self, n_samples=1000): + frame = range(0, n_samples) + columns = pd.MultiIndex.from_tuples([('position', 'x'), + ('position', 'y'), + ('position', 'z'), + ('r-xyz', 'alpha_0'), + ('r-xyz', 'alpha_1'), + ('r-xyz', 'alpha_2')]) + df = pd.DataFrame(index=frame, columns=columns) + for key in df.keys(): + ar = np.array([1, 1]) + ma = np.array([1]) + ar1_object = ArmaProcess(ar, ma) + ar1_series = ar1_object.generate_sample(n_samples) + df[key] = ar1_series + return df + + def _generate_ar3_data_(self, n_samples=100): + frame = range(0, n_samples) + columns = pd.MultiIndex.from_tuples([('position', 'x'), + ('position', 'y'), + ('position', 'z'), + ('r-xyz', 'alpha_0'), + ('r-xyz', 'alpha_1'), + ('r-xyz', 'alpha_2')]) + df = pd.DataFrame(index=frame, columns=columns) + rho = np.array([.3, .3, .4]) + sigma = 1 + mu_e = 0 + for key in df.keys(): + y = np.array([1, .5, 1.5]) + for i in range(3, n_samples): + n_lagged_val = np.array([y[i-1], y[i-2], y[i-3]]) + # AR model + new_val = rho.dot(n_lagged_val) + \ + np.random.normal(mu_e, sigma, 1)[0] + new_val = y[-1]-new_val + y = np.append(y, new_val) + df[key] = y + return df + + def _check_for_homogeneous_values_(self, df, expected_h_value): + is_homogen = True + if expected_h_value is 'NaN': + for key in df.keys(): + for val in df[key]: + if not math.isnan(val): + is_homogen = False + else: + for key in df.keys(): + for val in df[key]: + if val is not expected_h_value: + is_homogen = False + return is_homogen + + def _check_for_correct_structure_and_shift_for_intra_split_( + self, df, expected_shift): + is_correct = True + mainkey = 'position' + subkeys_x = ['x', 'y', 'z'] + subkeys_tar = ['x_tar', 'y_tar', 'z_tar'] + for trial in df: + for k in range(0, len(subkeys_x)): + base = trial[mainkey, subkeys_x[k]] + shifted = trial[mainkey, subkeys_tar[k]] + difference = base.shift(expected_shift)-shifted + if difference.sum() != 0.0: + is_correct = False + return is_correct + + def _check_for_correct_structure_and_shift_for_inter_split_( + self, df, expected_shift): + is_correct = True + mainkey = 'position' + subkeys_x = ['x', 'y', 'z'] + subkeys_tar = ['x_tar', 'y_tar', 'z_tar'] + for trial in df: + for k in range(0, len(subkeys_x)): + base = trial[mainkey, subkeys_x[k]] + shifted = trial[mainkey, subkeys_tar[k]] + if not self.__is_matching_in_difference_and_number_of_nan__( + base, shifted, expected_shift): + is_correct = False + return is_correct + + def __is_matching_in_difference_and_number_of_nan__(self, + base, + shifted, + expected_shift): + is_matching = True + difference = base.shift(expected_shift)-shifted + n_NaN = difference.isnull().values.sum() + expected_n_NaN = -expected_shift + if n_NaN != expected_n_NaN or difference.sum() != 0.0: + is_matching = False + return is_matching + + +class TestInvestigatorClass(unittest.TestCase): + + '''####################''' + '''### Stationarity ###''' + '''####################''' + + def test_stability_function_on_stationary_data(self): + gp = GeneralProvider() + data = gp._generate_random_data_(is_stationary=True) + investigator = pbox.Investigator(data) + sig_level = '0.05' + df_stationary = investigator.check_stationary(sig_level=sig_level) + self.assertTrue(gp._check_for_homogeneous_values_(df_stationary, True)) + + def test_stability_function_on_stationary_data_array(self): + gp = GeneralProvider() + data = [] + data.append(gp._generate_random_data_(is_stationary=True)) + data.append(gp._generate_random_data_(is_stationary=True)) + data.append(gp._generate_random_data_(is_stationary=True)) + investigator = pbox.Investigator(data) + sig_level = '0.05' + df_stationary = investigator.check_stationary(sig_level=sig_level) + self.assertTrue(gp._check_for_homogeneous_values_(df_stationary, True)) + + def test_stability_function_on_non_stationary_data_array(self): + gp = GeneralProvider() + data = [] + data.append(gp._generate_random_data_(is_stationary=False)) + data.append(gp._generate_random_data_(is_stationary=False)) + data.append(gp._generate_random_data_(is_stationary=False)) + investigator = pbox.Investigator(data) + sig_level = '0.05' + df_stationary = investigator.check_stationary(sig_level=sig_level) + self.assertTrue( + gp._check_for_homogeneous_values_(df_stationary, False)) + + def test_stability_function_on_not_stationary_data(self): + gp = GeneralProvider() + data = gp._generate_random_data_(is_stationary=False) + investigator = pbox.Investigator(data) + sig_level = '0.05' + df_stationary = investigator.check_stationary(sig_level=sig_level) + self.assertTrue( + gp._check_for_homogeneous_values_(df_stationary, False)) + + def test_stability_function_on_not_stationary_data_with_diff_order_1(self): + gp = GeneralProvider() + data = gp._generate_random_data_(is_stationary=False) + investigator = pbox.Investigator(data) + sig_level = '0.05' + df_stationary = investigator.check_stationary(sig_level=sig_level, diff_order=1) + self.assertTrue(gp._check_for_homogeneous_values_(df_stationary, True)) + + def test_stability_function_on_user_input_sig_level_format_str(self): + gp = GeneralProvider() + data = gp._generate_random_data_(is_stationary=False) + investigator = pbox.Investigator(data) + sig_level = '0.05' + valid, s = investigator._stability_args_validation_(sig_level=sig_level) + self.assertTrue(valid) + + def test_stability_function_on_user_input_sig_level_format_float(self): + gp = GeneralProvider() + data = gp._generate_random_data_(is_stationary=False) + investigator = pbox.Investigator(data) + sig_level = 0.05 + valid, s = investigator._stability_args_validation_(sig_level=sig_level) + self.assertTrue(valid) + + '''###################''' + '''### Correlation ###''' + '''###################''' + + def test_get_significant_lag_function_with_ar1_process_lag_finding(self): + gp = GeneralProvider() + data = gp._generate_ar1_data_() + investigator = pbox.Investigator(data) + lags = investigator.get_significant_lags() + self.assertTrue(gp._check_for_homogeneous_values_(lags, 1)) + + def test_get_significant_lag_function_with_ar3_process_lag_finding(self): + gp = GeneralProvider() + data = gp._generate_ar3_data_() + investigator = pbox.Investigator(data) + lags = investigator.get_significant_lags() + self.assertTrue(gp._check_for_homogeneous_values_(lags, 2)) + + def test_get_signifcant_lag_function_user_wrong_input_catch(self): + gp = GeneralProvider() + data = gp._generate_ar1_data_() + investigator = pbox.Investigator(data) + lags = investigator.get_significant_lags(function_type='Not acf') + self.assertTrue(gp._check_for_homogeneous_values_(lags, 'NaN')) + + +''' +This code is commented, because it was only used for visual inspectation during +debugging. If non of the other test functions is throwing an error, plotting +functionallity is covered as well. + + def test_plot_cf_function_test_acf_type(self): + gp = GeneralProvider() + data = [] + data.append(gp._generate_ar1_data_()) + data.append(gp._generate_ar3_data_()) + data.append(gp._generate_random_data_(is_stationary=True)) + investigator = pbox.Investigator(data) + figs = investigator.plot_cf_function(function_type='acf', + trial_id=-1, dim=('position', 'x')) + + def test_plot_cf_function_test_pacf_type(self): + gp = GeneralProvider() + data = [] + data.append(gp._generate_ar1_data_()) + data.append(gp._generate_ar3_data_()) + data.append(gp._generate_random_data_(is_stationary=True)) + investigator = pbox.Investigator(data) + figs = investigator.plot_cf_function(function_type='pacf', + trial_id=-1, dim=('position', 'x')) + plt.show(block=False) +''' + + +class TestModelmakerClass(unittest.TestCase): + + def test_intra_setup_data_with_pred_step_1(self): + gp = GeneralProvider() + forecasting_horizon = -1 + data = [] + for i in range(0, 20): + data.append(gp._generate_ar1_data_()) + MM = pbox.Modelmaker(data) + df_tr, df_te, df_ev = MM.setup_data( + pred_size=forecasting_horizon, split_type='inter') + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_inter_split_( + df_tr, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_inter_split_( + df_te, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_inter_split_( + df_ev, forecasting_horizon)) + + def test_intra_setup_data_with_pred_step_10(self): + gp = GeneralProvider() + forecasting_horizon = -10 + data = [] + for i in range(0, 20): + data.append(gp._generate_ar1_data_()) + MM = pbox.Modelmaker(data) + df_tr, df_te, df_ev = MM.setup_data( + pred_size=forecasting_horizon, split_type='inter') + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_inter_split_( + df_tr, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_inter_split_( + df_te, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_inter_split_( + df_ev, forecasting_horizon)) + + def test_inter_setup_data_with_pred_step_1(self): + gp = GeneralProvider() + forecasting_horizon = -1 + data = [] + for i in range(0, 20): + data.append(gp._generate_ar1_data_()) + MM = pbox.Modelmaker(data) + df_tr, df_te, df_ev = MM.setup_data( + pred_size=forecasting_horizon, split_type='intra') + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_intra_split_( + df_tr, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_intra_split_( + df_te, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_intra_split_( + df_ev, forecasting_horizon)) + + def test_inter_setup_data_with_pred_step_10(self): + gp = GeneralProvider() + forecasting_horizon = -10 + data = [] + for i in range(0, 20): + data.append(gp._generate_ar1_data_()) + MM = pbox.Modelmaker(data) + df_tr, df_te, df_ev = MM.setup_data( + pred_size=forecasting_horizon, split_type='intra') + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_intra_split_( + df_tr, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_intra_split_( + df_te, forecasting_horizon)) + self.assertTrue( + gp._check_for_correct_structure_and_shift_for_intra_split_( + df_ev, forecasting_horizon)) + + def test_invoke_arima_function_for_correct_override(self): + pass + + def test_invoke_arima_function_for_correct_output_structure(self): + pass + + +if __name__ == '__main__': + unittest.main() diff --git a/navipy/forecasting/src/Python/reworked/test_script.py b/navipy/forecasting/src/Python/reworked/test_script.py new file mode 100644 index 0000000000000000000000000000000000000000..f1aca848d76f66c08ed4d8c3781eedfebea2e7d5 --- /dev/null +++ b/navipy/forecasting/src/Python/reworked/test_script.py @@ -0,0 +1,59 @@ +# -*- coding: utf-8 -*- +""" +Created on Tue Aug 14 11:07:45 2018 + +@author: Stefan(local) +""" + +from test_predictor_box import GeneralProvider +from predictor_box import Investigator +from predictor_box import Modelmaker +import pandas +import numpy as np + +def my_metric(a,b): + a = np.array(a) + b = np.array(b) + return (a+b).sum() + +''' Generate Artificial Data ''' +TOTAL_NUM_TRIALS = 40 + +gp = GeneralProvider() +data = [] +for t in range(0, TOTAL_NUM_TRIALS): + data.append(gp._generate_random_data_(is_stationary=True)) + +''' Showcase Investigator Class ''' + +Inv = Investigator(data) +statdf = Inv.check_stationary() +print(statdf) +lagsdf = Inv.get_significant_lags() +print(lagsdf) +# plotting +#Inv.plot_cf_function(trial_id=0, dim=('position', 'y'), function_type='acf') +#Inv.plot_cf_function(trial_id=0, dim=('position', 'z'), function_type='pacf') + +''' Showcase Modelmaker Class ''' + +Mom = Modelmaker(data) + +tr, te, ev = Mom.setup_data(pred_size=-1, split_type='intra') +x_example = tr[0][('position', 'x')] +x_tar_example = tr[0][('position', 'x_tar')] +df_show = pandas.DataFrame() +df_show['x'] = x_example +df_show['x_tar'] = x_tar_example +df_show.plot() + +Mom.apply_arima_models(trial_id=[0, 1, 20], pred_step=1) +Mom.apply_arima_models(trial_id=[30], pred_step=1) +#Mom.apply_arima_models(trial_id=[30], pred_step=1, dim=('position', 'y')) +Mom.apply_arima_models(trial_id=[30], override=False, pred_step=1, + dim=('position', 'y')) +print(Mom.results) + + +Mom.apply_arima_models(trial_id=[30], override=False, pred_step=1, metric = my_metric, + dim=('position', 'y')) diff --git a/navipy/forecasting/src/Python/shorty.py b/navipy/forecasting/src/Python/shorty.py new file mode 100644 index 0000000000000000000000000000000000000000..0824d554958c54a401e339d5c331f4fb3972e718 --- /dev/null +++ b/navipy/forecasting/src/Python/shorty.py @@ -0,0 +1,77 @@ +import statistics as stats +from fastdtw import fastdtw as dtw +import cozybank as cbank +from scipy import stats +''' +trial = 0 +#sh=0 +sh = int(spc['pr_step'][0]) +single_target = te[trial].shift(-sh).head(100) +single_pred_esn = esn_r[trial].head(100) +single_pred_ids = ids_r[trial].head(100) +single_arima_110 = ari_res['L1_D1_O0'][trial] +single_arima_210 = ari_res['L2_D1_O0'][trial] +#single_arima_120 = ari_res['L1_D2_O0'][46] +#single_arima_220 = ari_res['L2_D2_O0'][46] +#single_arima_320 = ari_res['L3_D2_O0'][46] + +for dim in single_pred_esn.keys(): + plt.figure() + plt.title(dim) + plt_arima, = plt.plot(single_arima_110[dim], color='#ACA6FF', label= 'ARIMA') + #plt_arima_120, = plt.plot(single_arima_120[dim], color='#737DFF', label= 'ARIMA_120') + plt_arima_210, = plt.plot(single_arima_210[dim], color='#3A2CFF', label= 'ARIMA_210') + #plt_arima_320, = plt.plot(single_arima_320[dim], color='#1100FF', label= 'ARIMA_320') + plt_esn, = plt.plot(single_pred_esn[dim], 'r', label= 'ESN') + #plt_ids, = plt.plot(single_pred_ids[dim], 'g', label= 'EBM') + plt_tar, = plt.plot(single_target[dim], 'k', label= 'Target') + plt.legend(handles=[plt_arima,plt_esn,plt_arima_210]) + plt.show(block=False) + if dim == 'xPos': + plt.ylim([-140,250]) + if dim == 'yPos': + plt.ylim([-120,250]) + if dim == 'zPos': + plt.ylim([0,400]) + if dim == 'Cos' or dim == 'Sin': + plt.ylim([-1.5,1.5]) + +p_val_esn_vs_ebm = [] +p_val_ebm_vs_arima = [] +p_val_esn_vs_arima = [] +for dim in cost_esn.keys(): + plt.figure() + plt.title(dim) + mydata = [cost_esn[dim]] + label = ['ESN'] + #for mo in ari_res.keys(): + # label.append(mo) + # mydata.append(arima_costs[mo][dim]) + mydata.append(arima_costs['L1_D1_O0'][dim]) + label.append('ARIMA') + plt.boxplot(mydata, labels=label) + plt.show(block=False) + #_, p_esn_vs_ebm = stats.ks_2samp(mydata[0],mydata[1]) + #_, p_ebm_vs_arima = stats.ks_2samp(mydata[1],mydata[2]) + _, p_esn_vs_arima = stats.ks_2samp(mydata[0],mydata[1]) + + #p_val_esn_vs_ebm.append(p_esn_vs_ebm) + #p_val_ebm_vs_arima.append(p_ebm_vs_arima) + p_val_esn_vs_arima.append(p_esn_vs_arima) + +#print('esn vs ebm') +#print(p_val_esn_vs_ebm) +#print('ebm vs arima') +#print(p_val_ebm_vs_arima) +#print('esn vs arima') +print(p_val_esn_vs_arima) +''' + +for dim in cost_esn.keys(): + plt.figure() + plt.title(dim) + plt_esn, = plt.plot(esn_costs_final[dim][:25], 'r', label= 'ESN') + plt_ids, = plt.plot(ids_costs_final[dim][:25], 'g', label= 'EBM') + plt_arima, = plt.plot(arima_costs_final['L1_D1_O0'][dim][:25], color='#ACA6FF', label= 'ARIMA') + plt.legend(handles=[plt_arima,plt_esn]) + plt.show(block=False) \ No newline at end of file