# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/57cfcf66-49aa-4755-a5ae-549c670fe32c/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for NaCaBeSi2O6F / P2_12_12_1 (19) / materials id 560721](https://mdr.nims.go.jp/datasets/6182ad69-92a9-49e5-8d5e-c124f9119765) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.393988570000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.412849250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.951650709999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.104973660000000, 0.181582940000000, 0.254711490000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.395026340000000, 0.818417060000000, 0.754711490000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.604973660000000, 0.318417060000000, 0.745288510000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.895026340000000, 0.681582940000000, 0.245288510000000 ] mass: 22.989769 - symbol: Ca # 5 coordinates: [ 0.076900630000000, 0.144828150000000, 0.738802760000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.423099370000000, 0.855171850000000, 0.238802760000000 ] mass: 40.078000 - symbol: Ca # 7 coordinates: [ 0.576900630000000, 0.355171850000000, 0.261197240000000 ] mass: 40.078000 - symbol: Ca # 8 coordinates: [ 0.923099370000000, 0.644828150000000, 0.761197240000000 ] mass: 40.078000 - symbol: Be # 9 coordinates: [ 0.120289360000000, 0.859331750000000, 0.966537940000000 ] mass: 9.012182 - symbol: Be # 10 coordinates: [ 0.879710640000000, 0.359331750000000, 0.533462060000000 ] mass: 9.012182 - symbol: Be # 11 coordinates: [ 0.620289360000000, 0.640668250000000, 0.033462060000000 ] mass: 9.012182 - symbol: Be # 12 coordinates: [ 0.379710640000000, 0.140668250000000, 0.466537940000000 ] mass: 9.012182 - symbol: Si # 13 coordinates: [ 0.401494230000000, 0.142761790000000, 0.976273450000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.764856160000000, 0.989855240000000, 0.999472580000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.098505770000000, 0.857238210000000, 0.476273450000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.735143840000000, 0.010144760000000, 0.499472580000000 ] mass: 28.085500 - symbol: Si # 17 coordinates: [ 0.598505770000000, 0.642761790000000, 0.523726550000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.901494230000000, 0.357238210000000, 0.023726550000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.235143840000000, 0.489855240000000, 0.500527420000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.264856160000000, 0.510144760000000, 0.000527420000000 ] mass: 28.085500 - symbol: O # 21 coordinates: [ 0.355414920000000, 0.344320250000000, 0.909262680000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.921548110000000, 0.910410560000000, 0.901707010000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.600871210000000, 0.085733700000000, 0.909596310000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.421548110000000, 0.589589440000000, 0.098292990000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.855414920000000, 0.155679750000000, 0.090737320000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.822764020000000, 0.162970170000000, 0.595838770000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.899128790000000, 0.914266300000000, 0.409596310000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.677235980000000, 0.837029830000000, 0.095838770000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.399128790000000, 0.585733700000000, 0.590403690000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.644585080000000, 0.844320250000000, 0.590737320000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.177235980000000, 0.662970170000000, 0.904161230000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.754121110000000, 0.490200290000000, 0.091010100000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.144585080000000, 0.655679750000000, 0.409262680000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.745878890000000, 0.509799710000000, 0.591010100000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.410737310000000, 0.145175580000000, 0.137101900000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.589262690000000, 0.645175580000000, 0.362898100000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.254121110000000, 0.009799710000000, 0.908989900000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.910737310000000, 0.354824420000000, 0.862898100000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.322764020000000, 0.337029830000000, 0.404161230000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.245878890000000, 0.990200290000000, 0.408989900000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.578451890000000, 0.089589440000000, 0.401707010000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.100871210000000, 0.414266300000000, 0.090403690000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.089262690000000, 0.854824420000000, 0.637101900000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.078451890000000, 0.410410560000000, 0.598292990000000 ] mass: 15.999400 - symbol: F # 45 coordinates: [ 0.874743380000000, 0.351999500000000, 0.373801240000000 ] mass: 18.998403 - symbol: F # 46 coordinates: [ 0.374743380000000, 0.148000500000000, 0.626198760000000 ] mass: 18.998403 - symbol: F # 47 coordinates: [ 0.625256620000000, 0.648000500000000, 0.873801240000000 ] mass: 18.998403 - symbol: F # 48 coordinates: [ 0.125256620000000, 0.851999500000000, 0.126198760000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.135245002143681, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.134900895225948, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.100485841911146 ] # c*unit_cell: lattice: - [ 7.393988570000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.412849250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.951650709999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.104973660000000, 0.181582940000000, 0.254711490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.395026340000000, 0.818417060000000, 0.754711490000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.604973660000000, 0.318417060000000, 0.745288510000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.895026340000000, 0.681582940000000, 0.245288510000000 ] mass: 22.989769 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.076900630000000, 0.144828150000000, 0.738802760000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.423099370000000, 0.855171850000000, 0.238802760000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 7 coordinates: [ 0.576900630000000, 0.355171850000000, 0.261197240000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.923099370000000, 0.644828150000000, 0.761197240000000 ] mass: 40.078000 reduced_to: 8 - symbol: Be # 9 coordinates: [ 0.120289360000000, 0.859331750000000, 0.966537940000000 ] mass: 9.012182 reduced_to: 9 - symbol: Be # 10 coordinates: [ 0.879710640000000, 0.359331750000000, 0.533462060000000 ] mass: 9.012182 reduced_to: 10 - symbol: Be # 11 coordinates: [ 0.620289360000000, 0.640668250000000, 0.033462060000000 ] mass: 9.012182 reduced_to: 11 - symbol: Be # 12 coordinates: [ 0.379710640000000, 0.140668250000000, 0.466537940000000 ] mass: 9.012182 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.401494230000000, 0.142761790000000, 0.976273450000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.764856160000000, 0.989855240000000, 0.999472580000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.098505770000000, 0.857238210000000, 0.476273450000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.735143840000000, 0.010144760000000, 0.499472580000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.598505770000000, 0.642761790000000, 0.523726550000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.901494230000000, 0.357238210000000, 0.023726550000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.235143840000000, 0.489855240000000, 0.500527420000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.264856160000000, 0.510144760000000, 0.000527420000000 ] mass: 28.085500 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.355414920000000, 0.344320250000000, 0.909262680000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.921548110000000, 0.910410560000000, 0.901707010000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.600871210000000, 0.085733700000000, 0.909596310000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.421548110000000, 0.589589440000000, 0.098292990000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.855414920000000, 0.155679750000000, 0.090737320000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.822764020000000, 0.162970170000000, 0.595838770000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.899128790000000, 0.914266300000000, 0.409596310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.677235980000000, 0.837029830000000, 0.095838770000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.399128790000000, 0.585733700000000, 0.590403690000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.644585080000000, 0.844320250000000, 0.590737320000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.177235980000000, 0.662970170000000, 0.904161230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.754121110000000, 0.490200290000000, 0.091010100000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.144585080000000, 0.655679750000000, 0.409262680000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.745878890000000, 0.509799710000000, 0.591010100000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.410737310000000, 0.145175580000000, 0.137101900000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.589262690000000, 0.645175580000000, 0.362898100000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.254121110000000, 0.009799710000000, 0.908989900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.910737310000000, 0.354824420000000, 0.862898100000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.322764020000000, 0.337029830000000, 0.404161230000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.245878890000000, 0.990200290000000, 0.408989900000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.578451890000000, 0.089589440000000, 0.401707010000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.100871210000000, 0.414266300000000, 0.090403690000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.089262690000000, 0.854824420000000, 0.637101900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.078451890000000, 0.410410560000000, 0.598292990000000 ] mass: 15.999400 reduced_to: 44 - symbol: F # 45 coordinates: [ 0.874743380000000, 0.351999500000000, 0.373801240000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.374743380000000, 0.148000500000000, 0.626198760000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 47 coordinates: [ 0.625256620000000, 0.648000500000000, 0.873801240000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.125256620000000, 0.851999500000000, 0.126198760000000 ] mass: 18.998403 reduced_to: 48supercell: lattice: - [ 14.787977140000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.412849250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.951650709999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.052486830000000, 0.181582940000000, 0.254711490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.552486830000000, 0.181582940000000, 0.254711490000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.197513170000000, 0.818417060000000, 0.754711490000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.697513170000000, 0.818417060000000, 0.754711490000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.302486830000000, 0.318417060000000, 0.745288510000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.802486830000000, 0.318417060000000, 0.745288510000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.447513170000000, 0.681582940000000, 0.245288510000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.947513170000000, 0.681582940000000, 0.245288510000000 ] mass: 22.989769 reduced_to: 7 - symbol: Ca # 9 coordinates: [ 0.038450315000000, 0.144828150000000, 0.738802760000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.538450315000000, 0.144828150000000, 0.738802760000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 11 coordinates: [ 0.211549685000000, 0.855171850000000, 0.238802760000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 12 coordinates: [ 0.711549685000000, 0.855171850000000, 0.238802760000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 13 coordinates: [ 0.288450315000000, 0.355171850000000, 0.261197240000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 14 coordinates: [ 0.788450315000000, 0.355171850000000, 0.261197240000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 15 coordinates: [ 0.461549685000000, 0.644828150000000, 0.761197240000000 ] mass: 40.078000 reduced_to: 15 - symbol: Ca # 16 coordinates: [ 0.961549685000000, 0.644828150000000, 0.761197240000000 ] mass: 40.078000 reduced_to: 15 - symbol: Be # 17 coordinates: [ 0.060144680000000, 0.859331750000000, 0.966537940000000 ] mass: 9.012182 reduced_to: 17 - symbol: Be # 18 coordinates: [ 0.560144680000000, 0.859331750000000, 0.966537940000000 ] mass: 9.012182 reduced_to: 17 - symbol: Be # 19 coordinates: [ 0.439855320000000, 0.359331750000000, 0.533462060000000 ] mass: 9.012182 reduced_to: 19 - symbol: Be # 20 coordinates: [ 0.939855320000000, 0.359331750000000, 0.533462060000000 ] mass: 9.012182 reduced_to: 19 - symbol: Be # 21 coordinates: [ 0.310144680000000, 0.640668250000000, 0.033462060000000 ] mass: 9.012182 reduced_to: 21 - symbol: Be # 22 coordinates: [ 0.810144680000000, 0.640668250000000, 0.033462060000000 ] mass: 9.012182 reduced_to: 21 - symbol: Be # 23 coordinates: [ 0.189855320000000, 0.140668250000000, 0.466537940000000 ] mass: 9.012182 reduced_to: 23 - symbol: Be # 24 coordinates: [ 0.689855320000000, 0.140668250000000, 0.466537940000000 ] mass: 9.012182 reduced_to: 23 - symbol: Si # 25 coordinates: [ 0.200747115000000, 0.142761790000000, 0.976273450000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.700747115000000, 0.142761790000000, 0.976273450000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 27 coordinates: [ 0.382428080000000, 0.989855240000000, 0.999472580000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.882428080000000, 0.989855240000000, 0.999472580000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 29 coordinates: [ 0.049252885000000, 0.857238210000000, 0.476273450000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.549252885000000, 0.857238210000000, 0.476273450000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 31 coordinates: [ 0.367571920000000, 0.010144760000000, 0.499472580000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.867571920000000, 0.010144760000000, 0.499472580000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 33 coordinates: [ 0.299252885000000, 0.642761790000000, 0.523726550000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.799252885000000, 0.642761790000000, 0.523726550000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.450747115000000, 0.357238210000000, 0.023726550000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.950747115000000, 0.357238210000000, 0.023726550000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 37 coordinates: [ 0.117571920000000, 0.489855240000000, 0.500527420000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.617571920000000, 0.489855240000000, 0.500527420000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.132428080000000, 0.510144760000000, 0.000527420000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.632428080000000, 0.510144760000000, 0.000527420000000 ] mass: 28.085500 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.177707460000000, 0.344320250000000, 0.909262680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.677707460000000, 0.344320250000000, 0.909262680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.460774055000000, 0.910410560000000, 0.901707010000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.960774055000000, 0.910410560000000, 0.901707010000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.300435605000000, 0.085733700000000, 0.909596310000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.800435605000000, 0.085733700000000, 0.909596310000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.210774055000000, 0.589589440000000, 0.098292990000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.710774055000000, 0.589589440000000, 0.098292990000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.427707460000000, 0.155679750000000, 0.090737320000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.927707460000000, 0.155679750000000, 0.090737320000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.411382010000000, 0.162970170000000, 0.595838770000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.911382010000000, 0.162970170000000, 0.595838770000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.449564395000000, 0.914266300000000, 0.409596310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.949564395000000, 0.914266300000000, 0.409596310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.338617990000000, 0.837029830000000, 0.095838770000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.838617990000000, 0.837029830000000, 0.095838770000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.199564395000000, 0.585733700000000, 0.590403690000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.699564395000000, 0.585733700000000, 0.590403690000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.322292540000000, 0.844320250000000, 0.590737320000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.822292540000000, 0.844320250000000, 0.590737320000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.088617990000000, 0.662970170000000, 0.904161230000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.588617990000000, 0.662970170000000, 0.904161230000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.377060555000000, 0.490200290000000, 0.091010100000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.877060555000000, 0.490200290000000, 0.091010100000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.072292540000000, 0.655679750000000, 0.409262680000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.572292540000000, 0.655679750000000, 0.409262680000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.372939445000000, 0.509799710000000, 0.591010100000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.872939445000000, 0.509799710000000, 0.591010100000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.205368655000000, 0.145175580000000, 0.137101900000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.705368655000000, 0.145175580000000, 0.137101900000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.294631345000000, 0.645175580000000, 0.362898100000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.794631345000000, 0.645175580000000, 0.362898100000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.127060555000000, 0.009799710000000, 0.908989900000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.627060555000000, 0.009799710000000, 0.908989900000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.455368655000000, 0.354824420000000, 0.862898100000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.955368655000000, 0.354824420000000, 0.862898100000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.161382010000000, 0.337029830000000, 0.404161230000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.661382010000000, 0.337029830000000, 0.404161230000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.122939445000000, 0.990200290000000, 0.408989900000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.622939445000000, 0.990200290000000, 0.408989900000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.289225945000000, 0.089589440000000, 0.401707010000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.789225945000000, 0.089589440000000, 0.401707010000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.050435605000000, 0.414266300000000, 0.090403690000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.550435605000000, 0.414266300000000, 0.090403690000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.044631345000000, 0.854824420000000, 0.637101900000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.544631345000000, 0.854824420000000, 0.637101900000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.039225945000000, 0.410410560000000, 0.598292990000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.539225945000000, 0.410410560000000, 0.598292990000000 ] mass: 15.999400 reduced_to: 87 - symbol: F # 89 coordinates: [ 0.437371690000000, 0.351999500000000, 0.373801240000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.937371690000000, 0.351999500000000, 0.373801240000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.187371690000000, 0.148000500000000, 0.626198760000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.687371690000000, 0.148000500000000, 0.626198760000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.312628310000000, 0.648000500000000, 0.873801240000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.812628310000000, 0.648000500000000, 0.873801240000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.062628310000000, 0.851999500000000, 0.126198760000000 ] mass: 18.998403 reduced_to: 95 - symbol: F # 96 coordinates: [ 0.562628310000000, 0.851999500000000, 0.126198760000000 ] mass: 18.998403 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0264619900000000, 0.0092102400000000, -0.0120190600000000 ] - [ 0.0007813700000000, 0.0000295200000000, 0.0000519700000000 ] - [ -0.0003321300000000, -0.0002179500000000, 0.0000735300000000 ] - [ 0.0006592700000000, 0.0000103000000000, 0.0000430300000000 ] - [ 0.0002004900000000, 0.0000846600000000, -0.0000225100000000 ] - [ 0.0002032300000000, -0.0001528400000000, -0.0000460600000000 ] - [ 0.0008603600000000, 0.0000580500000000, -0.0000058800000000 ] - [ -0.0008370400000000, -0.0001116200000000, 0.0002073400000000 ] - [ -0.0027777500000000, 0.0000563900000000, 0.0002295800000000 ] - [ 0.0015142300000000, -0.0003112700000000, 0.0001678300000000 ] - [ 0.0025264900000000, -0.0056428900000000, 0.0000570100000000 ] - [ 0.0016502800000000, 0.0004639700000000, 0.0001152200000000 ] - [ 0.0053971900000000, 0.0029284900000000, 0.0001444100000000 ] - [ 0.0042492600000000, -0.0009528000000000, 0.0000042400000000 ] - [ 0.0011499600000000, -0.0002006300000000, -0.0001168600000000 ] - [ -0.0016394900000000, -0.0004350000000000, 0.0000211500000000 ] - [ -0.0030149800000000, -0.0004513400000000, 0.0000627400000000 ] - [ 0.0008833800000000, -0.0001851100000000, 0.0003879500000000 ] - [ 0.0015448300000000, -0.0000650900000000, -0.0000055300000000 ] - [ -0.0011228000000000, -0.0013992600000000, -0.0052574000000000 ] - [ -0.0000145400000000, -0.0000169100000000, -0.0006709100000000 ] - [ 0.0007155100000000, 0.0002568000000000, 0.0002225000000000 ] - [ 0.0034477200000000, -0.0016568300000000, 0.0062132500000000 ] - [ 0.0019505300000000, 0.0001393800000000, -0.0000347400000000 ] - [ 0.0004335500000000, -0.0003511400000000, -0.0078071400000000 ] - [ 0.0031380300000000, -0.0003384200000000, 0.0009385500000000 ] - [ 0.0028837500000000, -0.0001814100000000, -0.0007374400000000 ] - [ 0.0020102900000000, 0.0046066100000000, 0.0046522100000000 ] - [ -0.0100528800000000, -0.0002459000000000, 0.0002013400000000 ] - [ 0.0013504400000000, 0.0000563300000000, 0.0001634400000000 ] - [ 0.0024275200000000, -0.0008309600000000, 0.0009100600000000 ] - [ 0.0018375700000000, 0.0011477600000000, -0.0033441600000000 ] - [ 0.0000092500000000, -0.0000848500000000, 0.0008455500000000 ] - [ 0.0005071700000000, 0.0000582600000000, -0.0011837300000000 ] - [ 0.0032050000000000, 0.0004853800000000, -0.0007048700000000 ] - [ -0.0021588800000000, -0.0076783500000000, 0.0077952100000000 ] - [ -0.0056403800000000, 0.0040250600000000, 0.0037645900000000 ] - [ 0.0020081700000000, 0.0000103100000000, -0.0002837800000000 ] - [ -0.0040881900000000, 0.0013020000000000, -0.0010883300000000 ] - [ 0.0023991300000000, -0.0002567000000000, 0.0002234300000000 ] - [ 0.0013523300000000, -0.0006452900000000, 0.0011562000000000 ] - [ -0.0009975500000000, 0.0011163900000000, -0.0001877800000000 ] - [ -0.0011396600000000, 0.0002206100000000, 0.0007896000000000 ] - [ 0.0021235000000000, -0.0014163100000000, -0.0007793400000000 ] - [ -0.0008258200000000, 0.0003765300000000, 0.0018454300000000 ] - [ -0.0012420300000000, -0.0001712900000000, -0.0008238100000000 ] - [ 0.0010471000000000, -0.0003646200000000, 0.0005810600000000 ] - [ -0.0011090400000000, -0.0001241500000000, -0.0008825000000000 ] - [ -0.0013367100000000, -0.0010703400000000, 0.0002907300000000 ] - [ 0.0021636200000000, -0.0008834200000000, -0.0017181200000000 ] - [ -0.0014743400000000, -0.0004721900000000, -0.0004642300000000 ] - [ 0.0001695600000000, -0.0004650900000000, 0.0017443600000000 ] - [ -0.0023059200000000, 0.0005255600000000, 0.0000637100000000 ] - [ 0.0021421800000000, -0.0025694000000000, 0.0030551500000000 ] - [ -0.0008051100000000, 0.0007271700000000, 0.0004997500000000 ] - [ -0.0005153200000000, -0.0007661400000000, -0.0006607700000000 ] - [ -0.0001516500000000, -0.0011014600000000, -0.0012022800000000 ] - [ -0.0017359900000000, -0.0003405700000000, -0.0000191400000000 ] - [ -0.0004572800000000, 0.0008720200000000, -0.0003341900000000 ] - [ -0.0003860900000000, 0.0003362700000000, 0.0006537500000000 ] - [ 0.0019452600000000, -0.0003389700000000, 0.0002365600000000 ] - [ -0.0006549700000000, -0.0001347800000000, -0.0002148500000000 ] - [ -0.0006086100000000, -0.0007935800000000, 0.0005564700000000 ] - [ 0.0004195300000000, 0.0008789600000000, -0.0012354100000000 ] - [ 0.0029291200000000, -0.0012605500000000, -0.0002245400000000 ] - [ -0.0008460800000000, -0.0004482600000000, -0.0000406900000000 ] - [ -0.0014237200000000, 0.0009590800000000, -0.0004119500000000 ] - [ -0.0006216400000000, 0.0013566500000000, 0.0011396700000000 ] - [ -0.0008916100000000, -0.0002237800000000, 0.0036257500000000 ] - [ -0.0020098700000000, -0.0006848900000000, -0.0000192100000000 ] - [ 0.0000160300000000, -0.0008053200000000, -0.0011773600000000 ] - [ -0.0001597800000000, -0.0002472800000000, -0.0000295200000000 ] - [ 0.0028368000000000, 0.0017895400000000, 0.0018581900000000 ] - [ -0.0007364900000000, 0.0004383800000000, -0.0003314300000000 ] - [ -0.0015983100000000, 0.0004818900000000, -0.0001838200000000 ] - [ 0.0007701800000000, 0.0015857000000000, -0.0019067800000000 ] - [ 0.0032063300000000, -0.0011151700000000, -0.0015123100000000 ] - [ -0.0016167300000000, 0.0005886100000000, 0.0004336300000000 ] - [ 0.0060331100000000, -0.0018197300000000, 0.0016776600000000 ] - [ -0.0020467100000000, -0.0011884300000000, 0.0002846200000000 ] - [ -0.0021434200000000, 0.0008367300000000, -0.0007582500000000 ] - [ -0.0020089400000000, -0.0002647300000000, 0.0014304300000000 ] - [ 0.0064171200000000, 0.0015345500000000, -0.0004561600000000 ] - [ -0.0011218400000000, -0.0002184300000000, -0.0001565200000000 ] - [ 0.0031087700000000, 0.0008731400000000, -0.0000699900000000 ] - [ -0.0001423800000000, 0.0005459500000000, 0.0005392800000000 ] - [ 0.0031982000000000, 0.0002764100000000, -0.0009489100000000 ] - [ -0.0015076600000000, -0.0001840800000000, -0.0003107200000000 ] - [ -0.0013765800000000, 0.0002794100000000, -0.0002935800000000 ] - [ 0.0020175600000000, 0.0003873900000000, 0.0015466700000000 ] - [ -0.0001414300000000, -0.0000740600000000, -0.0012849900000000 ] - [ -0.0011590100000000, -0.0003211700000000, 0.0002664200000000 ] - [ 0.0002530300000000, -0.0002864000000000, 0.0002499200000000 ] - [ 0.0002890300000000, -0.0003456900000000, -0.0004167900000000 ] - [ 0.0033470000000000, 0.0006747400000000, 0.0004666600000000 ] - [ -0.0002900100000000, 0.0003216700000000, -0.0001034600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0261881700000000, -0.0091337600000000, 0.0120308600000000 ] - [ -0.0009547600000000, 0.0000644500000000, 0.0000177800000000 ] - [ 0.0005007000000000, 0.0001232700000000, -0.0000053500000000 ] - [ -0.0004870700000000, -0.0001051300000000, 0.0000264500000000 ] - [ -0.0003738500000000, -0.0001774800000000, -0.0000472100000000 ] - [ -0.0003733400000000, 0.0000594100000000, -0.0000238100000000 ] - [ -0.0006874400000000, 0.0000361900000000, -0.0000622200000000 ] - [ 0.0010211200000000, 0.0002050000000000, -0.0002776000000000 ] - [ 0.0028952700000000, -0.0005396700000000, 0.0000272300000000 ] - [ -0.0013999000000000, -0.0001717400000000, 0.0000911900000000 ] - [ -0.0026387500000000, 0.0060718600000000, 0.0002009000000000 ] - [ -0.0017676400000000, 0.0000163800000000, 0.0001409800000000 ] - [ -0.0052341700000000, -0.0024160500000000, -0.0003979700000000 ] - [ -0.0041599500000000, 0.0014530300000000, -0.0002609700000000 ] - [ -0.0012663100000000, -0.0002828100000000, -0.0001410900000000 ] - [ 0.0015305600000000, -0.0000497200000000, -0.0002786400000000 ] - [ 0.0022648800000000, 0.0000089100000000, 0.0005572600000000 ] - [ -0.0016354000000000, -0.0002562300000000, 0.0002124000000000 ] - [ -0.0007942900000000, -0.0003753500000000, -0.0005942500000000 ] - [ 0.0018822500000000, 0.0009615800000000, 0.0046604400000000 ] - [ -0.0007404900000000, 0.0004579200000000, 0.0000684900000000 ] - [ -0.0014669900000000, 0.0001846700000000, -0.0008258100000000 ] - [ -0.0026952600000000, 0.0020853900000000, -0.0055458700000000 ] - [ -0.0012038600000000, 0.0003038900000000, 0.0006379600000000 ] - [ 0.0013259700000000, 0.0001054800000000, 0.0084064900000000 ] - [ -0.0013735600000000, 0.0000928900000000, -0.0003218700000000 ] - [ -0.0026199800000000, 0.0006662500000000, 0.0006717700000000 ] - [ -0.0017427800000000, -0.0041201000000000, -0.0047335900000000 ] - [ 0.0083246200000000, 0.0005230200000000, 0.0003910900000000 ] - [ -0.0031129900000000, 0.0001871600000000, 0.0004609800000000 ] - [ -0.0026923500000000, 0.0003412100000000, -0.0009668300000000 ] - [ -0.0020967200000000, -0.0016502100000000, 0.0033066300000000 ] - [ -0.0017802500000000, -0.0001614500000000, -0.0014653400000000 ] - [ -0.0022638000000000, -0.0003040500000000, 0.0005643500000000 ] - [ -0.0014437500000000, -0.0002409400000000, 0.0000808800000000 ] - [ 0.0039763000000000, 0.0079464100000000, -0.0084542800000000 ] - [ 0.0053646300000000, -0.0035510700000000, -0.0037190600000000 ] - [ -0.0022739100000000, 0.0004759000000000, 0.0003485900000000 ] - [ 0.0043143900000000, -0.0017890200000000, 0.0011618200000000 ] - [ -0.0021339800000000, -0.0002283900000000, -0.0001617400000000 ] - [ -0.0015529000000000, 0.0021281400000000, -0.0012810500000000 ] - [ 0.0007860800000000, 0.0003744200000000, 0.0000610100000000 ] - [ 0.0015847400000000, -0.0002635300000000, 0.0002239500000000 ] - [ -0.0016878700000000, 0.0013784100000000, 0.0017961800000000 ] - [ 0.0019247400000000, -0.0005941700000000, -0.0015016600000000 ] - [ 0.0023333400000000, -0.0000469000000000, 0.0011659900000000 ] - [ -0.0005925300000000, 0.0004054900000000, -0.0015895200000000 ] - [ 0.0015531100000000, 0.0001670500000000, -0.0001301400000000 ] - [ 0.0011265100000000, -0.0004196000000000, -0.0001611500000000 ] - [ -0.0025609800000000, -0.0006326400000000, 0.0016820500000000 ] - [ 0.0007663600000000, -0.0001049000000000, 0.0004382400000000 ] - [ -0.0008837200000000, -0.0001124400000000, -0.0017742000000000 ] - [ 0.0012089400000000, -0.0003090900000000, 0.0002775600000000 ] - [ -0.0032744700000000, 0.0027907000000000, -0.0027107100000000 ] - [ 0.0015118200000000, -0.0001484700000000, -0.0005220000000000 ] - [ 0.0012221100000000, 0.0013469200000000, 0.0006423300000000 ] - [ -0.0009400300000000, 0.0008873800000000, 0.0008613400000000 ] - [ 0.0006376600000000, 0.0001240600000000, -0.0003253200000000 ] - [ 0.0006710800000000, 0.0006212400000000, 0.0004599900000000 ] - [ 0.0005932100000000, 0.0011552600000000, -0.0005269300000000 ] - [ -0.0012335000000000, -0.0002347600000000, -0.0002213000000000 ] - [ 0.0013632000000000, -0.0004423500000000, 0.0002401700000000 ] - [ 0.0017851500000000, -0.0007941300000000, -0.0005560500000000 ] - [ 0.0007502500000000, -0.0024720200000000, 0.0012424400000000 ] - [ -0.0027194200000000, -0.0002329300000000, 0.0000998200000000 ] - [ 0.0010572400000000, -0.0010413000000000, -0.0000883600000000 ] - [ 0.0002508900000000, 0.0006265700000000, 0.0004091900000000 ] - [ -0.0005587300000000, 0.0002315200000000, -0.0011419300000000 ] - [ -0.0003727200000000, -0.0009003800000000, -0.0028731400000000 ] - [ 0.0005428500000000, -0.0004221100000000, 0.0008755300000000 ] - [ 0.0014558100000000, -0.0003035200000000, 0.0003222400000000 ] - [ 0.0016271900000000, -0.0008609600000000, -0.0008250600000000 ] - [ -0.0016512200000000, -0.0001999400000000, -0.0018538100000000 ] - [ 0.0019119300000000, 0.0011480700000000, 0.0003333200000000 ] - [ 0.0001302200000000, 0.0006253400000000, -0.0006672500000000 ] - [ -0.0022475800000000, -0.0004818300000000, 0.0010531400000000 ] - [ -0.0037890400000000, 0.0017647200000000, 0.0016416500000000 ] - [ 0.0009120500000000, -0.0000133300000000, -0.0004120700000000 ] - [ -0.0071646500000000, 0.0001465200000000, -0.0015743100000000 ] - [ 0.0008730600000000, -0.0003967100000000, -0.0002835600000000 ] - [ 0.0016969700000000, -0.0007894400000000, 0.0017610000000000 ] - [ 0.0015723000000000, 0.0003113900000000, -0.0004269300000000 ] - [ -0.0053208900000000, -0.0013467700000000, 0.0001302000000000 ] - [ 0.0022201200000000, 0.0004345300000000, -0.0001849800000000 ] - [ -0.0016468000000000, 0.0002339500000000, 0.0009253200000000 ] - [ 0.0016126200000000, 0.0005617800000000, 0.0003118900000000 ] - [ -0.0036431600000000, -0.0003193300000000, -0.0000634600000000 ] - [ 0.0010641400000000, 0.0001397500000000, -0.0007032300000000 ] - [ 0.0004170000000000, 0.0003965900000000, 0.0002737700000000 ] - [ -0.0031281600000000, 0.0003979700000000, -0.0014625700000000 ] - [ -0.0008130200000000, -0.0006006900000000, 0.0013074800000000 ] - [ 0.0002008700000000, -0.0003556000000000, -0.0002498400000000 ] - [ 0.0007078200000000, -0.0003889300000000, -0.0002686300000000 ] - [ 0.0006687400000000, -0.0003298100000000, 0.0004004900000000 ] - [ -0.0023834200000000, -0.0000099000000000, -0.0004613600000000 ] - [ 0.0012493800000000, 0.0003536000000000, 0.0001232300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0089968800000000, -0.0256775800000000, 0.0134159900000000 ] - [ -0.0001032100000000, 0.0000127000000000, 0.0000347400000000 ] - [ -0.0000872300000000, 0.0002050800000000, -0.0000460400000000 ] - [ 0.0001425100000000, 0.0000020900000000, -0.0000190400000000 ] - [ 0.0000209800000000, -0.0001647000000000, -0.0000168600000000 ] - [ -0.0002143400000000, -0.0001641000000000, -0.0000745000000000 ] - [ 0.0000732100000000, 0.0001046600000000, -0.0000368500000000 ] - [ 0.0002308300000000, 0.0039084100000000, -0.0000968300000000 ] - [ 0.0002951900000000, -0.0016480700000000, -0.0000695300000000 ] - [ 0.0000440000000000, -0.0002862200000000, 0.0001131200000000 ] - [ -0.0063622600000000, 0.0048235300000000, 0.0006492800000000 ] - [ 0.0002718500000000, 0.0003919800000000, 0.0001225900000000 ] - [ 0.0026289200000000, -0.0002290200000000, -0.0006968100000000 ] - [ -0.0018103800000000, -0.0002446000000000, -0.0003401000000000 ] - [ -0.0000263200000000, -0.0001740900000000, -0.0001315600000000 ] - [ 0.0000060100000000, 0.0009796300000000, -0.0003144800000000 ] - [ -0.0005138200000000, 0.0008651700000000, 0.0048054600000000 ] - [ -0.0004178100000000, -0.0001757900000000, 0.0002953700000000 ] - [ 0.0004129000000000, -0.0003239900000000, -0.0002787300000000 ] - [ -0.0005607100000000, -0.0005947200000000, 0.0032053000000000 ] - [ 0.0000908300000000, 0.0005314800000000, -0.0003675400000000 ] - [ -0.0007904800000000, 0.0014509400000000, -0.0004251800000000 ] - [ -0.0013416100000000, -0.0052363200000000, -0.0005309900000000 ] - [ 0.0005596600000000, 0.0000815900000000, 0.0002714000000000 ] - [ 0.0005206100000000, -0.0023236100000000, 0.0013157300000000 ] - [ 0.0009789000000000, -0.0003145900000000, 0.0002247200000000 ] - [ -0.0001394200000000, 0.0001939600000000, 0.0000514700000000 ] - [ 0.0019427000000000, -0.0005518900000000, 0.0011972000000000 ] - [ -0.0014993600000000, 0.0085409200000000, -0.0064222900000000 ] - [ -0.0009084000000000, 0.0002020900000000, 0.0002969500000000 ] - [ -0.0005043200000000, -0.0001064400000000, -0.0002414400000000 ] - [ 0.0033107300000000, -0.0030092900000000, -0.0024429500000000 ] - [ -0.0004235400000000, 0.0006373100000000, -0.0004545200000000 ] - [ -0.0009597500000000, 0.0012615400000000, -0.0001820800000000 ] - [ 0.0009014700000000, -0.0000864700000000, -0.0003408600000000 ] - [ -0.0065341000000000, -0.0025338300000000, -0.0070147000000000 ] - [ 0.0008311500000000, 0.0055430400000000, 0.0047417700000000 ] - [ -0.0001777100000000, 0.0003004700000000, 0.0000653900000000 ] - [ 0.0042812500000000, 0.0040412700000000, -0.0042285500000000 ] - [ -0.0000234200000000, -0.0002789000000000, -0.0000658200000000 ] - [ -0.0014211100000000, 0.0018013300000000, 0.0005351600000000 ] - [ -0.0000759000000000, 0.0008252100000000, -0.0000477200000000 ] - [ 0.0003095100000000, -0.0000423900000000, 0.0004597800000000 ] - [ -0.0004395700000000, 0.0001094600000000, -0.0002702000000000 ] - [ 0.0007401500000000, -0.0000259100000000, 0.0000040900000000 ] - [ 0.0003445100000000, 0.0001385300000000, 0.0001230100000000 ] - [ -0.0009329900000000, -0.0016833600000000, -0.0001928000000000 ] - [ 0.0004861800000000, -0.0002213500000000, -0.0004620100000000 ] - [ -0.0000012900000000, -0.0006235900000000, 0.0000790700000000 ] - [ 0.0008263600000000, 0.0033864200000000, 0.0000726000000000 ] - [ -0.0002529500000000, -0.0002050100000000, 0.0000810800000000 ] - [ -0.0003684100000000, 0.0014051400000000, 0.0000099900000000 ] - [ -0.0004872900000000, 0.0000453200000000, 0.0001813900000000 ] - [ -0.0035366700000000, -0.0009883200000000, 0.0036543600000000 ] - [ 0.0006026900000000, 0.0000992000000000, -0.0003415200000000 ] - [ -0.0003750800000000, -0.0001713300000000, -0.0003914800000000 ] - [ -0.0010134000000000, -0.0012413600000000, -0.0006050100000000 ] - [ -0.0004962700000000, -0.0002508200000000, -0.0001880400000000 ] - [ 0.0001612300000000, 0.0004938000000000, 0.0000892700000000 ] - [ -0.0008605200000000, 0.0001911100000000, 0.0006622900000000 ] - [ 0.0003821400000000, -0.0026335500000000, 0.0001806400000000 ] - [ 0.0004029000000000, -0.0003289000000000, 0.0000536600000000 ] - [ 0.0003962200000000, -0.0007906900000000, 0.0001156800000000 ] - [ 0.0024586900000000, -0.0013345600000000, 0.0007474900000000 ] - [ 0.0007063500000000, -0.0053798100000000, -0.0004675400000000 ] - [ 0.0001304600000000, -0.0008014000000000, -0.0000657100000000 ] - [ -0.0007295700000000, 0.0007291100000000, 0.0000099700000000 ] - [ -0.0000327700000000, 0.0000234700000000, -0.0005840400000000 ] - [ -0.0001370200000000, 0.0029239200000000, -0.0000322700000000 ] - [ -0.0007191900000000, -0.0003174000000000, 0.0005135600000000 ] - [ 0.0007207200000000, -0.0014435600000000, -0.0001475500000000 ] - [ 0.0008111800000000, -0.0013687000000000, -0.0005765300000000 ] - [ 0.0011999700000000, 0.0015274800000000, -0.0010737400000000 ] - [ 0.0005780400000000, 0.0008149800000000, 0.0000293000000000 ] - [ -0.0007447100000000, 0.0006166400000000, -0.0004060000000000 ] - [ 0.0002019600000000, 0.0012742200000000, 0.0008592400000000 ] - [ -0.0011619100000000, 0.0032121200000000, -0.0009681600000000 ] - [ -0.0002744800000000, 0.0003547800000000, -0.0001088900000000 ] - [ -0.0021599400000000, 0.0046801800000000, -0.0024588400000000 ] - [ -0.0006419100000000, -0.0007965700000000, 0.0000046500000000 ] - [ 0.0004459100000000, 0.0010118100000000, 0.0007192000000000 ] - [ -0.0008476400000000, 0.0009158000000000, 0.0005294800000000 ] - [ 0.0001815300000000, 0.0046960900000000, -0.0017817300000000 ] - [ 0.0005681900000000, 0.0001486200000000, -0.0001625400000000 ] - [ 0.0006277700000000, -0.0005412200000000, 0.0020577100000000 ] - [ 0.0007367200000000, 0.0005232000000000, 0.0004366800000000 ] - [ -0.0000320800000000, -0.0004839000000000, -0.0018977200000000 ] - [ -0.0002254100000000, -0.0000062500000000, -0.0005297900000000 ] - [ -0.0005211800000000, 0.0003870800000000, -0.0000600300000000 ] - [ -0.0002644000000000, 0.0025666000000000, -0.0008726700000000 ] - [ -0.0002107800000000, 0.0007845100000000, 0.0001576400000000 ] - [ -0.0005247300000000, -0.0002767800000000, 0.0000411200000000 ] - [ 0.0003686500000000, -0.0004498000000000, 0.0000514100000000 ] - [ 0.0005499700000000, -0.0006664000000000, 0.0001088000000000 ] - [ 0.0009081200000000, -0.0028834800000000, -0.0038474100000000 ] - [ 0.0005006700000000, 0.0003166700000000, 0.0000033600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0093482000000000, 0.0256982200000000, -0.0134418700000000 ] - [ -0.0000684600000000, 0.0000799900000000, 0.0000323800000000 ] - [ 0.0002574800000000, -0.0002961500000000, 0.0001085000000000 ] - [ 0.0000280900000000, -0.0000952900000000, 0.0000845100000000 ] - [ -0.0001910300000000, 0.0000725800000000, -0.0000475900000000 ] - [ 0.0000451200000000, 0.0000715900000000, 0.0000096500000000 ] - [ 0.0000962400000000, -0.0000109900000000, -0.0000296100000000 ] - [ -0.0000844700000000, -0.0038168600000000, 0.0000310100000000 ] - [ -0.0001801300000000, 0.0011664300000000, 0.0003273100000000 ] - [ 0.0000710500000000, -0.0001968700000000, 0.0001453400000000 ] - [ 0.0063130000000000, -0.0043482700000000, -0.0003880200000000 ] - [ -0.0003883800000000, 0.0000938600000000, 0.0001341600000000 ] - [ -0.0025153600000000, 0.0006957200000000, 0.0004395400000000 ] - [ 0.0019300100000000, 0.0007199000000000, 0.0000827500000000 ] - [ -0.0000876500000000, -0.0003094300000000, -0.0001268600000000 ] - [ -0.0001236600000000, -0.0014661800000000, 0.0000564700000000 ] - [ -0.0002380400000000, -0.0013021100000000, -0.0042437100000000 ] - [ -0.0003333700000000, -0.0002652700000000, 0.0003054300000000 ] - [ 0.0003389000000000, -0.0001187400000000, -0.0003229200000000 ] - [ 0.0013103200000000, 0.0001457900000000, -0.0038148300000000 ] - [ -0.0008352400000000, -0.0000886500000000, -0.0002357600000000 ] - [ 0.0000357100000000, -0.0010078900000000, -0.0001776800000000 ] - [ 0.0020680700000000, 0.0056840700000000, 0.0011057100000000 ] - [ 0.0001926400000000, 0.0003601500000000, 0.0003299700000000 ] - [ 0.0012383100000000, 0.0020827100000000, -0.0006621900000000 ] - [ 0.0007877000000000, 0.0000692000000000, 0.0003978300000000 ] - [ 0.0004003900000000, 0.0002973300000000, -0.0001156600000000 ] - [ -0.0016762900000000, 0.0010731800000000, -0.0012531900000000 ] - [ -0.0002311000000000, -0.0082918200000000, 0.0071241800000000 ] - [ -0.0008549900000000, 0.0000426700000000, 0.0003260800000000 ] - [ 0.0002366400000000, -0.0003775300000000, 0.0001771600000000 ] - [ -0.0035869800000000, 0.0025443300000000, 0.0023848600000000 ] - [ -0.0013406400000000, -0.0008803700000000, -0.0001655400000000 ] - [ -0.0008045100000000, -0.0015094000000000, -0.0004385300000000 ] - [ 0.0008616500000000, 0.0003282600000000, -0.0002822700000000 ] - [ 0.0082890900000000, 0.0027216200000000, 0.0063770000000000 ] - [ -0.0010578500000000, -0.0050802300000000, -0.0046344100000000 ] - [ -0.0000879300000000, 0.0001840000000000, -0.0000023000000000 ] - [ -0.0040248300000000, -0.0045358400000000, 0.0042637300000000 ] - [ 0.0002882200000000, -0.0002074700000000, 0.0001285000000000 ] - [ 0.0012075300000000, -0.0003024300000000, -0.0006669500000000 ] - [ -0.0001341400000000, 0.0006676200000000, -0.0000836200000000 ] - [ 0.0001353200000000, -0.0000021000000000, 0.0005559800000000 ] - [ 0.0008909300000000, -0.0001618700000000, 0.0012883800000000 ] - [ 0.0003605000000000, -0.0001927000000000, 0.0003293300000000 ] - [ 0.0007458900000000, -0.0003577700000000, 0.0002124400000000 ] - [ 0.0013666300000000, 0.0017297200000000, -0.0008118200000000 ] - [ -0.0000403900000000, 0.0002660400000000, -0.0005533300000000 ] - [ -0.0002061000000000, -0.0008667500000000, 0.0000512000000000 ] - [ -0.0010338900000000, -0.0048776800000000, 0.0000536100000000 ] - [ -0.0004545000000000, -0.0003708800000000, -0.0001061400000000 ] - [ -0.0003411800000000, -0.0019866000000000, -0.0000347000000000 ] - [ -0.0006084400000000, 0.0001690400000000, 0.0001584700000000 ] - [ 0.0024607300000000, 0.0011769700000000, -0.0033288700000000 ] - [ 0.0001016700000000, 0.0004723800000000, 0.0003196700000000 ] - [ 0.0010870900000000, 0.0007415100000000, 0.0003717500000000 ] - [ -0.0000876900000000, 0.0010330000000000, 0.0002668900000000 ] - [ -0.0005996600000000, 0.0000360600000000, -0.0001530200000000 ] - [ 0.0000487600000000, 0.0009953000000000, 0.0000418000000000 ] - [ 0.0010741900000000, 0.0013003500000000, -0.0005344500000000 ] - [ 0.0003293200000000, 0.0020672100000000, -0.0001498800000000 ] - [ 0.0003060300000000, -0.0002473800000000, -0.0000274700000000 ] - [ 0.0007773100000000, -0.0007912800000000, -0.0001173500000000 ] - [ -0.0012760700000000, -0.0002417500000000, -0.0007421500000000 ] - [ -0.0005074500000000, 0.0038776500000000, 0.0003071600000000 ] - [ 0.0000788800000000, -0.0006893700000000, -0.0000661300000000 ] - [ -0.0004464000000000, 0.0008554900000000, -0.0000123500000000 ] - [ -0.0011418800000000, 0.0015632600000000, 0.0005859300000000 ] - [ -0.0013240000000000, -0.0040374800000000, 0.0008753900000000 ] - [ -0.0007529300000000, -0.0007911400000000, 0.0003361200000000 ] - [ 0.0007465100000000, 0.0003395100000000, -0.0007064700000000 ] - [ 0.0006609700000000, 0.0002633400000000, -0.0002760700000000 ] - [ -0.0000303800000000, 0.0000457600000000, 0.0010754200000000 ] - [ 0.0005959400000000, 0.0007681900000000, -0.0000288300000000 ] - [ -0.0007252500000000, 0.0004920800000000, -0.0004449700000000 ] - [ -0.0016692000000000, -0.0001604900000000, -0.0017127200000000 ] - [ 0.0005075700000000, -0.0025712900000000, 0.0010564400000000 ] - [ -0.0004335900000000, 0.0002226100000000, 0.0001344600000000 ] - [ 0.0011170000000000, -0.0064589300000000, 0.0026883000000000 ] - [ -0.0005335100000000, -0.0007873800000000, -0.0000034800000000 ] - [ -0.0008877600000000, -0.0009711900000000, 0.0002969900000000 ] - [ 0.0004033200000000, -0.0008748900000000, 0.0004873200000000 ] - [ 0.0009227400000000, -0.0042181600000000, 0.0011635100000000 ] - [ 0.0005287900000000, 0.0000679200000000, -0.0001769800000000 ] - [ 0.0008368800000000, 0.0016442000000000, -0.0012129000000000 ] - [ 0.0007344000000000, 0.0005842700000000, 0.0004118900000000 ] - [ -0.0004123500000000, 0.0004489500000000, 0.0008784200000000 ] - [ -0.0002181800000000, -0.0000371600000000, -0.0004856300000000 ] - [ -0.0004342400000000, 0.0002895700000000, 0.0000401300000000 ] - [ -0.0007737200000000, -0.0018306200000000, 0.0009128600000000 ] - [ -0.0007472500000000, -0.0014603700000000, -0.0001336900000000 ] - [ -0.0004321700000000, -0.0003993500000000, -0.0000225100000000 ] - [ 0.0005861300000000, -0.0002255900000000, -0.0000714300000000 ] - [ 0.0004078900000000, -0.0000089000000000, -0.0001273800000000 ] - [ 0.0000474200000000, 0.0035191200000000, 0.0038852600000000 ] - [ 0.0004564400000000, 0.0003581300000000, 0.0000170500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0121631200000000, 0.0133851800000000, -0.0355243600000000 ] - [ -0.0000709800000000, 0.0000486800000000, -0.0002640300000000 ] - [ 0.0000464900000000, 0.0000295000000000, 0.0012866800000000 ] - [ 0.0000782400000000, 0.0000048000000000, 0.0004902300000000 ] - [ -0.0000748400000000, -0.0000891200000000, 0.0008378300000000 ] - [ -0.0000989800000000, -0.0000294400000000, 0.0008399800000000 ] - [ 0.0001152200000000, 0.0000519100000000, -0.0003940000000000 ] - [ 0.0003323400000000, 0.0001108500000000, -0.0022853900000000 ] - [ 0.0001739200000000, -0.0003564600000000, 0.0047823900000000 ] - [ 0.0001032700000000, -0.0002654700000000, 0.0007553700000000 ] - [ -0.0002737000000000, 0.0008063500000000, -0.0048012500000000 ] - [ 0.0000634600000000, 0.0002577300000000, -0.0011116900000000 ] - [ 0.0005392100000000, -0.0002037800000000, -0.0036866900000000 ] - [ -0.0003708900000000, 0.0000695600000000, -0.0028446600000000 ] - [ -0.0000081300000000, -0.0002147800000000, 0.0005643800000000 ] - [ -0.0000985600000000, -0.0002936100000000, 0.0029536900000000 ] - [ -0.0002329100000000, 0.0011966800000000, 0.0027624000000000 ] - [ -0.0003873100000000, -0.0001208300000000, 0.0002503300000000 ] - [ 0.0006723100000000, -0.0002464100000000, -0.0003265300000000 ] - [ -0.0020211200000000, 0.0014272800000000, 0.0033989300000000 ] - [ -0.0012835800000000, 0.0001685100000000, -0.0000816700000000 ] - [ 0.0006730200000000, 0.0000562300000000, 0.0001249700000000 ] - [ 0.0071847200000000, -0.0008332900000000, 0.0046569700000000 ] - [ -0.0003243300000000, 0.0003515100000000, 0.0004527000000000 ] - [ -0.0037947600000000, 0.0004120500000000, 0.0050294600000000 ] - [ 0.0022674500000000, -0.0003581300000000, 0.0001452100000000 ] - [ -0.0012646600000000, 0.0006972400000000, -0.0000169400000000 ] - [ 0.0040275900000000, 0.0041720800000000, 0.0034198400000000 ] - [ -0.0018533300000000, -0.0065436400000000, 0.0057037500000000 ] - [ -0.0007242300000000, 0.0000626800000000, 0.0004671400000000 ] - [ 0.0011396400000000, -0.0003833400000000, 0.0004765400000000 ] - [ -0.0047551700000000, -0.0007958300000000, 0.0020372700000000 ] - [ 0.0009812100000000, 0.0001976900000000, -0.0002832500000000 ] - [ -0.0022868700000000, -0.0003293300000000, -0.0003319000000000 ] - [ 0.0005236300000000, -0.0000747100000000, -0.0001256000000000 ] - [ 0.0096013000000000, -0.0069899300000000, 0.0086146000000000 ] - [ 0.0015284100000000, 0.0053807300000000, 0.0048318900000000 ] - [ -0.0004848000000000, 0.0001772300000000, -0.0000234800000000 ] - [ -0.0045087800000000, -0.0037263400000000, 0.0036675500000000 ] - [ 0.0004646900000000, -0.0003466400000000, 0.0001366200000000 ] - [ 0.0011035200000000, 0.0008883200000000, -0.0016616000000000 ] - [ -0.0003924700000000, 0.0009218900000000, -0.0001799900000000 ] - [ 0.0005255200000000, -0.0001671200000000, 0.0002791600000000 ] - [ -0.0002445800000000, -0.0010197000000000, -0.0015074400000000 ] - [ 0.0019578500000000, -0.0005294800000000, -0.0006103800000000 ] - [ -0.0012702300000000, -0.0001652200000000, -0.0009041000000000 ] - [ 0.0021480500000000, 0.0009070200000000, 0.0000787800000000 ] - [ -0.0003660700000000, -0.0000242000000000, -0.0002474300000000 ] - [ 0.0003536200000000, -0.0005803100000000, 0.0001750200000000 ] - [ -0.0015974400000000, -0.0018190600000000, 0.0009024600000000 ] - [ -0.0007613700000000, -0.0003844700000000, -0.0003905200000000 ] - [ 0.0008212300000000, -0.0001037700000000, -0.0019743500000000 ] - [ -0.0010150000000000, 0.0002427000000000, 0.0002402000000000 ] - [ 0.0022607700000000, 0.0021154800000000, -0.0009417300000000 ] - [ 0.0008182400000000, 0.0000048100000000, 0.0003054900000000 ] - [ -0.0008781100000000, -0.0007414100000000, 0.0003678300000000 ] - [ -0.0019421000000000, -0.0011702400000000, -0.0013587800000000 ] - [ -0.0000055900000000, 0.0000361800000000, -0.0002595200000000 ] - [ -0.0004306700000000, 0.0006761700000000, -0.0002186400000000 ] - [ 0.0011398500000000, 0.0012810000000000, -0.0006486300000000 ] - [ 0.0006588000000000, 0.0003639100000000, -0.0020863500000000 ] - [ 0.0002462500000000, -0.0002519400000000, -0.0001673900000000 ] - [ 0.0009560700000000, -0.0009103000000000, 0.0002734400000000 ] - [ -0.0016607800000000, 0.0007151200000000, 0.0005789700000000 ] - [ 0.0002885600000000, -0.0004779100000000, 0.0000369500000000 ] - [ 0.0001545600000000, -0.0007546300000000, 0.0000168500000000 ] - [ -0.0011876400000000, 0.0008776100000000, -0.0002910400000000 ] - [ 0.0002789100000000, 0.0001169000000000, -0.0010328000000000 ] - [ 0.0019633000000000, -0.0008379800000000, 0.0027280700000000 ] - [ -0.0012201200000000, -0.0004820000000000, 0.0009926500000000 ] - [ 0.0000664400000000, -0.0008256100000000, 0.0004693100000000 ] - [ 0.0014845500000000, -0.0005690800000000, 0.0002888100000000 ] - [ 0.0013261600000000, 0.0003686800000000, -0.0024728300000000 ] - [ 0.0001972200000000, 0.0007086600000000, -0.0001576300000000 ] - [ -0.0005929900000000, 0.0006289200000000, -0.0007621600000000 ] - [ -0.0013326500000000, 0.0011590300000000, -0.0037347500000000 ] - [ -0.0017808600000000, -0.0006131100000000, 0.0020548200000000 ] - [ -0.0001394500000000, 0.0002305700000000, 0.0001950900000000 ] - [ 0.0013178000000000, -0.0035414900000000, 0.0062908200000000 ] - [ -0.0004101900000000, -0.0006993900000000, 0.0001576000000000 ] - [ -0.0022388700000000, 0.0004273500000000, 0.0011002700000000 ] - [ 0.0013082000000000, -0.0001164300000000, 0.0009954400000000 ] - [ 0.0013936800000000, -0.0015383400000000, 0.0031233800000000 ] - [ 0.0005465200000000, 0.0001455100000000, -0.0001122900000000 ] - [ 0.0011888200000000, 0.0010958900000000, -0.0025401000000000 ] - [ 0.0007137600000000, 0.0005543400000000, 0.0001421800000000 ] - [ 0.0002285100000000, -0.0010046200000000, -0.0033871500000000 ] - [ -0.0002444000000000, 0.0000054100000000, -0.0006740800000000 ] - [ -0.0006034100000000, 0.0003079100000000, 0.0002043900000000 ] - [ 0.0002498800000000, 0.0003340200000000, 0.0022782900000000 ] - [ -0.0010451900000000, -0.0002190000000000, -0.0019750800000000 ] - [ -0.0002369600000000, -0.0003607300000000, -0.0002963700000000 ] - [ 0.0008036000000000, -0.0003146000000000, -0.0004482900000000 ] - [ 0.0002384500000000, -0.0003310400000000, -0.0006280200000000 ] - [ 0.0009309600000000, -0.0017392700000000, 0.0006465400000000 ] - [ 0.0004924000000000, 0.0003156200000000, 0.0001613200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0118869300000000, -0.0134728600000000, 0.0356532500000000 ] - [ -0.0001037900000000, 0.0000445200000000, 0.0003341300000000 ] - [ 0.0001267500000000, -0.0001224800000000, -0.0012231300000000 ] - [ 0.0000938300000000, -0.0000969400000000, -0.0004231300000000 ] - [ -0.0000941800000000, -0.0000003000000000, -0.0009057300000000 ] - [ -0.0000746800000000, -0.0000595000000000, -0.0009054600000000 ] - [ 0.0000596200000000, 0.0000429400000000, 0.0003240400000000 ] - [ -0.0001527400000000, -0.0000183800000000, 0.0022174900000000 ] - [ -0.0000607600000000, -0.0001286900000000, -0.0045197700000000 ] - [ 0.0000110200000000, -0.0002168400000000, -0.0004967200000000 ] - [ 0.0001358200000000, -0.0003008600000000, 0.0050663000000000 ] - [ -0.0001776300000000, 0.0002251200000000, 0.0013693100000000 ] - [ -0.0004412300000000, 0.0006803900000000, 0.0034269800000000 ] - [ 0.0004958800000000, 0.0004112500000000, 0.0025877500000000 ] - [ -0.0001061300000000, -0.0002680900000000, -0.0008230400000000 ] - [ -0.0000189300000000, -0.0001874300000000, -0.0032102700000000 ] - [ -0.0005204000000000, -0.0016639500000000, -0.0021619300000000 ] - [ -0.0003644500000000, -0.0003204200000000, 0.0003494800000000 ] - [ 0.0000786900000000, -0.0001948400000000, -0.0002737900000000 ] - [ 0.0027413000000000, -0.0018457000000000, -0.0040008600000000 ] - [ 0.0005328000000000, 0.0002728700000000, -0.0005165200000000 ] - [ -0.0014246400000000, 0.0003842600000000, -0.0007232000000000 ] - [ -0.0063705200000000, 0.0012586100000000, -0.0040414100000000 ] - [ 0.0010753700000000, 0.0000900400000000, 0.0001459500000000 ] - [ 0.0056197000000000, -0.0006577900000000, -0.0044056800000000 ] - [ -0.0005091500000000, 0.0001113300000000, 0.0004805600000000 ] - [ 0.0015307300000000, -0.0002169900000000, -0.0000431100000000 ] - [ -0.0037793600000000, -0.0036878200000000, -0.0034806400000000 ] - [ 0.0001213400000000, 0.0067420800000000, -0.0050777600000000 ] - [ -0.0010356200000000, 0.0001844200000000, 0.0001575200000000 ] - [ -0.0014071800000000, -0.0000970900000000, -0.0005415100000000 ] - [ 0.0044714000000000, 0.0003022500000000, -0.0021101100000000 ] - [ -0.0027406900000000, -0.0004440400000000, -0.0003453400000000 ] - [ 0.0005259800000000, 0.0000811600000000, -0.0002973100000000 ] - [ 0.0012346700000000, 0.0003216600000000, -0.0004988600000000 ] - [ -0.0079260200000000, 0.0073154200000000, -0.0092871800000000 ] - [ -0.0017567300000000, -0.0048645500000000, -0.0047752300000000 ] - [ 0.0002177700000000, 0.0003025900000000, 0.0000847100000000 ] - [ 0.0047688000000000, 0.0032668900000000, -0.0036022300000000 ] - [ -0.0001985900000000, -0.0001338000000000, -0.0000731400000000 ] - [ -0.0013203300000000, 0.0005987700000000, 0.0015250500000000 ] - [ 0.0001813400000000, 0.0005698400000000, 0.0000474000000000 ] - [ -0.0000790800000000, 0.0001224600000000, 0.0007349500000000 ] - [ 0.0006958300000000, 0.0009796700000000, 0.0025229200000000 ] - [ -0.0008640300000000, 0.0003115000000000, 0.0009383100000000 ] - [ 0.0023669900000000, -0.0000535200000000, 0.0012381200000000 ] - [ -0.0017036600000000, -0.0008639800000000, -0.0010984100000000 ] - [ 0.0008116600000000, 0.0000687000000000, -0.0007690700000000 ] - [ -0.0005643900000000, -0.0009099900000000, -0.0000443900000000 ] - [ 0.0012651900000000, 0.0003225700000000, -0.0008977200000000 ] - [ 0.0000554600000000, -0.0001888400000000, 0.0003649200000000 ] - [ -0.0015131000000000, -0.0004668600000000, 0.0019475600000000 ] - [ -0.0000820000000000, -0.0000268200000000, 0.0000966600000000 ] - [ -0.0033532100000000, -0.0018918600000000, 0.0012997500000000 ] - [ -0.0001116600000000, 0.0005684400000000, -0.0003335400000000 ] - [ 0.0015855300000000, 0.0013174500000000, -0.0003980800000000 ] - [ 0.0008403500000000, 0.0009553000000000, 0.0010269500000000 ] - [ -0.0010902500000000, -0.0002527000000000, -0.0000787100000000 ] - [ 0.0006423900000000, 0.0008149400000000, 0.0003532800000000 ] - [ -0.0009268400000000, 0.0002127200000000, 0.0007833200000000 ] - [ 0.0000491700000000, -0.0009305800000000, 0.0021047600000000 ] - [ 0.0004596400000000, -0.0003216200000000, 0.0001936500000000 ] - [ 0.0002208100000000, -0.0006752700000000, -0.0002803200000000 ] - [ 0.0028377600000000, -0.0023028200000000, -0.0005904500000000 ] - [ -0.0000792400000000, -0.0010162400000000, -0.0001626500000000 ] - [ 0.0000563600000000, -0.0007360200000000, -0.0001504100000000 ] - [ 0.0000117900000000, 0.0007081200000000, 0.0002869900000000 ] - [ -0.0014507800000000, 0.0014680900000000, 0.0010349300000000 ] - [ -0.0033853400000000, -0.0002727800000000, -0.0019404800000000 ] - [ -0.0002478300000000, -0.0006267200000000, -0.0001473500000000 ] - [ 0.0014032500000000, -0.0002840600000000, -0.0013164600000000 ] - [ -0.0000171600000000, -0.0005372100000000, -0.0011355200000000 ] - [ -0.0001646900000000, 0.0012271800000000, 0.0024881600000000 ] - [ 0.0009783700000000, 0.0008767800000000, 0.0001636200000000 ] - [ -0.0008747700000000, 0.0004795000000000, -0.0000851000000000 ] - [ -0.0001311100000000, -0.0000559500000000, 0.0028827800000000 ] - [ 0.0011594200000000, 0.0012459300000000, -0.0019232200000000 ] - [ -0.0005665200000000, 0.0003433400000000, -0.0001681100000000 ] - [ -0.0023282700000000, 0.0017214900000000, -0.0060557300000000 ] - [ -0.0007666600000000, -0.0008868800000000, -0.0001509100000000 ] - [ 0.0017939400000000, -0.0003825700000000, -0.0000815100000000 ] - [ -0.0017530500000000, 0.0001604400000000, 0.0000255900000000 ] - [ -0.0003048400000000, 0.0019847300000000, -0.0036737200000000 ] - [ 0.0005513100000000, 0.0000715800000000, -0.0002256200000000 ] - [ 0.0002750100000000, 0.0000164600000000, 0.0033957400000000 ] - [ 0.0007548900000000, 0.0005542500000000, 0.0007064800000000 ] - [ -0.0006769100000000, 0.0009426800000000, 0.0023645700000000 ] - [ -0.0002016300000000, -0.0000503600000000, -0.0003408400000000 ] - [ -0.0003545400000000, 0.0003684200000000, -0.0002152100000000 ] - [ -0.0012793200000000, 0.0003950800000000, -0.0022312600000000 ] - [ 0.0000816100000000, -0.0004561500000000, 0.0019914800000000 ] - [ -0.0007203900000000, -0.0003149500000000, 0.0003098400000000 ] - [ 0.0001537400000000, -0.0003609500000000, 0.0004340500000000 ] - [ 0.0007215600000000, -0.0003442500000000, 0.0006151400000000 ] - [ 0.0000270800000000, 0.0024057200000000, -0.0006656300000000 ] - [ 0.0004661300000000, 0.0003593700000000, -0.0001509400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029253900000000, 0.0002849400000000, 0.0001532600000000 ] - [ 0.0013706300000000, 0.0000334300000000, 0.0000811600000000 ] - [ 0.0026715200000000, -0.0064164800000000, 0.0002439100000000 ] - [ 0.0017955000000000, 0.0002801500000000, -0.0000847600000000 ] - [ 0.0041345500000000, 0.0018326100000000, 0.0004003900000000 ] - [ 0.0052037000000000, -0.0025992600000000, -0.0005222400000000 ] - [ 0.0012969200000000, 0.0000170100000000, 0.0000136100000000 ] - [ -0.0014977800000000, -0.0000176300000000, -0.0000741600000000 ] - [ -0.0697553400000000, 0.0204620400000000, -0.0132959100000000 ] - [ 0.0035776600000000, -0.0004153300000000, 0.0002308800000000 ] - [ -0.0008674800000000, -0.0009133300000000, 0.0006701100000000 ] - [ 0.0022003900000000, 0.0005925900000000, 0.0003207300000000 ] - [ 0.0013765000000000, 0.0012058700000000, -0.0000884600000000 ] - [ 0.0013852200000000, -0.0002956200000000, 0.0002917400000000 ] - [ 0.0028659600000000, -0.0001502500000000, -0.0000718700000000 ] - [ -0.0056531800000000, -0.0015456400000000, 0.0014493000000000 ] - [ -0.0131815300000000, -0.0046458900000000, 0.0018431800000000 ] - [ 0.0022047000000000, -0.0000726900000000, 0.0004261800000000 ] - [ 0.0029244100000000, 0.0003024100000000, -0.0004322300000000 ] - [ -0.0042004300000000, -0.0117070500000000, 0.0076285400000000 ] - [ 0.0006114500000000, -0.0000283700000000, 0.0004027900000000 ] - [ 0.0010737300000000, 0.0005057600000000, -0.0011483300000000 ] - [ 0.0008155900000000, -0.0003905500000000, -0.0125639800000000 ] - [ 0.0033340100000000, 0.0001169600000000, 0.0007051400000000 ] - [ 0.0112837800000000, 0.0007693200000000, 0.0136649300000000 ] - [ 0.0063741300000000, -0.0008198100000000, -0.0004827700000000 ] - [ 0.0057217400000000, -0.0010256900000000, 0.0014301500000000 ] - [ 0.0035019300000000, 0.0025867700000000, -0.0079291200000000 ] - [ -0.0114920100000000, -0.0003000800000000, -0.0012677900000000 ] - [ 0.0034418100000000, -0.0000623800000000, 0.0000074800000000 ] - [ 0.0055391100000000, -0.0012314700000000, -0.0014931900000000 ] - [ 0.0052135400000000, 0.0109899700000000, 0.0129078400000000 ] - [ 0.0004814300000000, -0.0010743300000000, -0.0011781100000000 ] - [ 0.0022130200000000, 0.0013470600000000, 0.0012915700000000 ] - [ 0.0049174500000000, 0.0008964300000000, -0.0001165600000000 ] - [ -0.0043445500000000, -0.0028494500000000, -0.0116684200000000 ] - [ -0.0072805700000000, 0.0048693700000000, -0.0020911500000000 ] - [ 0.0042708500000000, 0.0000664700000000, 0.0000432100000000 ] - [ -0.0096519500000000, 0.0054175900000000, 0.0055252300000000 ] - [ 0.0042508100000000, -0.0007089800000000, -0.0003082500000000 ] - [ -0.0001025100000000, -0.0061918700000000, -0.0073541000000000 ] - [ -0.0022647200000000, 0.0017396600000000, 0.0003027400000000 ] - [ -0.0027567400000000, 0.0005496500000000, 0.0006524200000000 ] - [ 0.0078492800000000, -0.0037209900000000, 0.0045228500000000 ] - [ -0.0044536700000000, 0.0010254700000000, -0.0018366500000000 ] - [ -0.0032894500000000, -0.0000331500000000, 0.0026482800000000 ] - [ 0.0011546200000000, -0.0013045000000000, -0.0018255700000000 ] - [ -0.0016893100000000, -0.0002114700000000, -0.0007043100000000 ] - [ -0.0021969200000000, -0.0014782400000000, -0.0003814700000000 ] - [ 0.0010418900000000, -0.0005185900000000, 0.0030119200000000 ] - [ -0.0032331300000000, -0.0006354500000000, 0.0000737300000000 ] - [ 0.0134044200000000, -0.0016664300000000, 0.0028512300000000 ] - [ -0.0037546000000000, 0.0008918900000000, 0.0004142800000000 ] - [ 0.0053234700000000, -0.0042300600000000, -0.0018013900000000 ] - [ -0.0010344300000000, 0.0007714100000000, -0.0004268900000000 ] - [ -0.0006553400000000, -0.0004163600000000, 0.0013096900000000 ] - [ 0.0009496800000000, -0.0007448500000000, 0.0010867600000000 ] - [ -0.0034486800000000, -0.0008243000000000, -0.0004902400000000 ] - [ -0.0017729800000000, 0.0016974200000000, 0.0009393500000000 ] - [ -0.0017410800000000, -0.0026791500000000, -0.0015271600000000 ] - [ 0.0060735500000000, 0.0002175200000000, -0.0000259000000000 ] - [ -0.0016793300000000, 0.0000406700000000, -0.0002961700000000 ] - [ -0.0011900500000000, -0.0005064100000000, 0.0000640800000000 ] - [ 0.0005436500000000, -0.0001251700000000, 0.0021241100000000 ] - [ 0.0026919000000000, -0.0011376300000000, 0.0000396900000000 ] - [ -0.0016810500000000, -0.0001843700000000, -0.0001055700000000 ] - [ -0.0024295800000000, 0.0009844600000000, 0.0000607200000000 ] - [ -0.0003711700000000, 0.0034377600000000, -0.0011656400000000 ] - [ -0.0016365600000000, -0.0008852100000000, -0.0032973800000000 ] - [ -0.0024685300000000, -0.0004178300000000, 0.0007647000000000 ] - [ 0.0002648900000000, -0.0004144300000000, -0.0001696500000000 ] - [ -0.0001873100000000, -0.0007857400000000, -0.0013869100000000 ] - [ 0.0123539500000000, -0.0005527900000000, 0.0026522500000000 ] - [ -0.0023742800000000, 0.0000541500000000, -0.0003410200000000 ] - [ -0.0027578300000000, 0.0003806000000000, -0.0004027100000000 ] - [ 0.0116430600000000, -0.0040073800000000, -0.0033611300000000 ] - [ 0.0021479100000000, -0.0023805400000000, 0.0022301700000000 ] - [ -0.0023296100000000, 0.0008381600000000, 0.0001457600000000 ] - [ 0.0037414000000000, 0.0020951100000000, 0.0023501100000000 ] - [ -0.0032580600000000, -0.0015748800000000, 0.0003161800000000 ] - [ -0.0025583000000000, 0.0006980200000000, 0.0024973100000000 ] - [ -0.0037254900000000, -0.0006397000000000, -0.0025365100000000 ] - [ 0.0081792200000000, 0.0013342700000000, 0.0010526700000000 ] - [ -0.0024264800000000, -0.0004629700000000, -0.0001464900000000 ] - [ 0.0109959300000000, 0.0025167200000000, 0.0012055900000000 ] - [ -0.0012165700000000, 0.0005170700000000, 0.0006719800000000 ] - [ 0.0113150300000000, 0.0019086800000000, -0.0013607900000000 ] - [ -0.0029664500000000, -0.0004116100000000, -0.0001525400000000 ] - [ -0.0017086600000000, 0.0001771800000000, 0.0000033300000000 ] - [ 0.0012785800000000, 0.0020805300000000, -0.0022085400000000 ] - [ 0.0037339700000000, -0.0006197600000000, 0.0050929800000000 ] - [ -0.0026130900000000, -0.0003752200000000, -0.0000860900000000 ] - [ -0.0005780300000000, -0.0003339200000000, -0.0002996800000000 ] - [ -0.0004024300000000, -0.0002953800000000, 0.0005150300000000 ] - [ 0.0039157200000000, 0.0011966400000000, -0.0006568200000000 ] - [ -0.0008515400000000, 0.0003068300000000, -0.0001666000000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027492300000000, -0.0001916100000000, -0.0000835100000000 ] - [ -0.0015453600000000, 0.0000603000000000, -0.0000115000000000 ] - [ -0.0024952400000000, 0.0062606300000000, -0.0001681600000000 ] - [ -0.0016234300000000, -0.0003799100000000, 0.0001564800000000 ] - [ -0.0042761200000000, -0.0019061700000000, -0.0004646700000000 ] - [ -0.0054293900000000, 0.0025439300000000, 0.0004565100000000 ] - [ -0.0011225400000000, 0.0000776600000000, -0.0000829200000000 ] - [ 0.0016753500000000, 0.0001126800000000, 0.0000040100000000 ] - [ 0.0699987600000000, -0.0210765300000000, 0.0137596700000000 ] - [ -0.0034616600000000, -0.0000675800000000, 0.0000278600000000 ] - [ 0.0007370400000000, 0.0013949600000000, -0.0004122500000000 ] - [ -0.0023086800000000, -0.0001117300000000, -0.0000649800000000 ] - [ -0.0012694500000000, -0.0007213000000000, -0.0001701800000000 ] - [ -0.0012599100000000, 0.0007812100000000, -0.0005534800000000 ] - [ -0.0029795400000000, -0.0003328500000000, -0.0001859900000000 ] - [ 0.0055874200000000, 0.0010619800000000, -0.0017138300000000 ] - [ 0.0124061200000000, 0.0042297600000000, -0.0012803900000000 ] - [ -0.0029555800000000, -0.0003708300000000, 0.0001764300000000 ] - [ -0.0021712800000000, -0.0007404600000000, -0.0001710600000000 ] - [ 0.0050316000000000, 0.0113277500000000, -0.0082706600000000 ] - [ -0.0013687200000000, 0.0004697500000000, -0.0010003400000000 ] - [ -0.0018119400000000, -0.0000650400000000, 0.0005476000000000 ] - [ -0.0000704100000000, 0.0008299700000000, 0.0130739000000000 ] - [ -0.0025804200000000, 0.0003245200000000, -0.0001114800000000 ] - [ -0.0095224000000000, -0.0010579300000000, -0.0129169000000000 ] - [ -0.0046302200000000, 0.0005823700000000, 0.0011178100000000 ] - [ -0.0054501100000000, 0.0015020500000000, -0.0014826500000000 ] - [ -0.0031783600000000, -0.0021594500000000, 0.0079113000000000 ] - [ 0.0097309800000000, 0.0005494800000000, 0.0019889400000000 ] - [ -0.0051990900000000, 0.0003061800000000, 0.0006137900000000 ] - [ -0.0057988300000000, 0.0007444400000000, 0.0014193900000000 ] - [ -0.0055070900000000, -0.0115085000000000, -0.0130703200000000 ] - [ -0.0022599100000000, 0.0008198900000000, 0.0005468200000000 ] - [ -0.0039669200000000, -0.0016051700000000, -0.0019231300000000 ] - [ -0.0031572800000000, -0.0006484800000000, -0.0005029100000000 ] - [ 0.0061252600000000, 0.0031085300000000, 0.0110199900000000 ] - [ 0.0069098200000000, -0.0043781000000000, 0.0021875900000000 ] - [ -0.0045348800000000, 0.0004178700000000, 0.0000155900000000 ] - [ 0.0098707600000000, -0.0058770900000000, -0.0054595000000000 ] - [ -0.0039785600000000, 0.0002301700000000, 0.0003767500000000 ] - [ -0.0000630200000000, 0.0076400300000000, 0.0071940600000000 ] - [ 0.0020541500000000, -0.0002551500000000, -0.0004326100000000 ] - [ 0.0031979800000000, -0.0005909500000000, 0.0003611300000000 ] - [ -0.0075135500000000, 0.0036150600000000, -0.0034156900000000 ] - [ 0.0055501100000000, -0.0012338500000000, 0.0021599600000000 ] - [ 0.0043966900000000, -0.0001761600000000, -0.0023356200000000 ] - [ -0.0007035500000000, 0.0013401400000000, 0.0008061900000000 ] - [ 0.0021224200000000, 0.0002517400000000, -0.0003126500000000 ] - [ 0.0019837300000000, -0.0000123700000000, 0.0005048800000000 ] - [ -0.0012675100000000, -0.0009715800000000, -0.0028825100000000 ] - [ 0.0025196600000000, 0.0000572100000000, -0.0000953400000000 ] - [ -0.0148555800000000, 0.0011329800000000, -0.0034856400000000 ] - [ 0.0026556600000000, -0.0006743600000000, -0.0000675100000000 ] - [ -0.0064497900000000, 0.0044705800000000, 0.0021468500000000 ] - [ 0.0017464800000000, -0.0001895200000000, 0.0003951600000000 ] - [ 0.0013400600000000, 0.0009980300000000, -0.0013264000000000 ] - [ -0.0020136100000000, 0.0005277300000000, -0.0014254900000000 ] - [ 0.0023495100000000, 0.0006093300000000, 0.0001463500000000 ] - [ 0.0019832400000000, -0.0001975300000000, -0.0008054700000000 ] - [ 0.0019562000000000, 0.0041899500000000, 0.0016669300000000 ] - [ -0.0053492100000000, -0.0008025900000000, 0.0000616600000000 ] - [ 0.0023850800000000, -0.0006177800000000, 0.0003207800000000 ] - [ 0.0023699900000000, -0.0010826800000000, -0.0000703600000000 ] - [ 0.0006153100000000, -0.0014592500000000, -0.0021079700000000 ] - [ -0.0024668300000000, -0.0003461000000000, -0.0002006900000000 ] - [ 0.0018905200000000, -0.0013041700000000, -0.0000196400000000 ] - [ 0.0012565800000000, 0.0006002000000000, -0.0000609400000000 ] - [ -0.0008235700000000, -0.0018638800000000, 0.0011651800000000 ] - [ 0.0001780600000000, -0.0002106800000000, 0.0041467800000000 ] - [ 0.0009984900000000, -0.0006912700000000, 0.0000766200000000 ] - [ 0.0012109300000000, -0.0006926500000000, -0.0006745400000000 ] - [ 0.0016532600000000, -0.0003196500000000, 0.0005439900000000 ] - [ -0.0109117500000000, 0.0019726100000000, -0.0023106400000000 ] - [ 0.0035533800000000, 0.0015336400000000, 0.0003418400000000 ] - [ 0.0012873700000000, 0.0007258100000000, -0.0004483500000000 ] - [ -0.0132902100000000, 0.0054312300000000, 0.0027686600000000 ] - [ -0.0028257000000000, 0.0029382000000000, -0.0022012300000000 ] - [ 0.0016207200000000, -0.0002612800000000, -0.0001192700000000 ] - [ -0.0048859800000000, -0.0036635500000000, -0.0023517100000000 ] - [ 0.0020790800000000, -0.0000124700000000, -0.0003096700000000 ] - [ 0.0021180400000000, -0.0006547900000000, -0.0014709600000000 ] - [ 0.0032719200000000, 0.0006778400000000, 0.0035505400000000 ] - [ -0.0070682700000000, -0.0011176300000000, -0.0013970200000000 ] - [ 0.0035215900000000, 0.0006782100000000, -0.0001986200000000 ] - [ -0.0095092800000000, -0.0013693700000000, -0.0003480000000000 ] - [ 0.0026852200000000, 0.0005926500000000, 0.0001774400000000 ] - [ -0.0117517700000000, -0.0019709800000000, 0.0003398500000000 ] - [ 0.0025221900000000, 0.0003670900000000, -0.0008609600000000 ] - [ 0.0007508700000000, 0.0004979400000000, -0.0000214600000000 ] - [ -0.0022486600000000, -0.0014134500000000, 0.0021948600000000 ] - [ -0.0041363000000000, -0.0000570100000000, -0.0053263700000000 ] - [ 0.0016579600000000, -0.0003010300000000, 0.0001097700000000 ] - [ 0.0015383400000000, -0.0003412600000000, 0.0002766200000000 ] - [ 0.0013500400000000, -0.0003796800000000, -0.0005346700000000 ] - [ -0.0029548000000000, -0.0005202800000000, 0.0006798600000000 ] - [ 0.0018090400000000, 0.0003694400000000, 0.0001824900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002112600000000, -0.0013617400000000, -0.0000798600000000 ] - [ -0.0001569400000000, 0.0000011200000000, 0.0000101300000000 ] - [ -0.0057374100000000, 0.0045390100000000, -0.0005148400000000 ] - [ 0.0003093700000000, 0.0001027900000000, 0.0000193300000000 ] - [ 0.0011137100000000, -0.0005342200000000, -0.0002057900000000 ] - [ -0.0027568100000000, -0.0005171500000000, -0.0004795400000000 ] - [ 0.0000467700000000, 0.0001145600000000, -0.0000618300000000 ] - [ 0.0002776600000000, 0.0012684800000000, 0.0000185200000000 ] - [ 0.0209521600000000, -0.0746558000000000, 0.0009574200000000 ] - [ -0.0001172700000000, -0.0003541500000000, 0.0001793000000000 ] - [ -0.0012087000000000, 0.0011834500000000, 0.0001894400000000 ] - [ 0.0002931200000000, 0.0002878000000000, -0.0001220800000000 ] - [ 0.0005977400000000, -0.0001231100000000, -0.0004389700000000 ] - [ -0.0009073800000000, -0.0001220400000000, 0.0000578300000000 ] - [ -0.0001486000000000, -0.0000687400000000, -0.0000720600000000 ] - [ 0.0011976000000000, 0.0206532500000000, -0.0012165600000000 ] - [ -0.0033695500000000, 0.0076180100000000, -0.0082338800000000 ] - [ -0.0005229800000000, -0.0001328300000000, 0.0002791000000000 ] - [ 0.0003441000000000, -0.0003929600000000, -0.0003316500000000 ] - [ -0.0102624600000000, -0.0001612200000000, -0.0088644800000000 ] - [ -0.0000850000000000, 0.0008357200000000, -0.0003775200000000 ] - [ -0.0008307800000000, 0.0025706700000000, -0.0003676000000000 ] - [ -0.0002001100000000, -0.0034052500000000, 0.0004880800000000 ] - [ 0.0003021600000000, 0.0000383500000000, 0.0002368400000000 ] - [ -0.0028666600000000, -0.0129025000000000, -0.0002511000000000 ] - [ 0.0010925600000000, -0.0007143600000000, 0.0002012500000000 ] - [ -0.0007606500000000, 0.0005336000000000, -0.0004148700000000 ] - [ 0.0076282400000000, -0.0073652400000000, -0.0068438500000000 ] - [ -0.0017437100000000, 0.0062533000000000, 0.0207457800000000 ] - [ -0.0010573200000000, 0.0002592800000000, 0.0003096400000000 ] - [ -0.0006352900000000, -0.0003966900000000, 0.0000426100000000 ] - [ 0.0047589000000000, -0.0049179800000000, 0.0008970500000000 ] - [ 0.0000271600000000, 0.0010351600000000, -0.0005589700000000 ] - [ -0.0016503400000000, 0.0031999800000000, -0.0006452000000000 ] - [ 0.0008026800000000, -0.0002431100000000, -0.0003037000000000 ] - [ -0.0014189300000000, -0.0008971900000000, 0.0144782400000000 ] - [ 0.0096928300000000, 0.0120522600000000, -0.0109018700000000 ] - [ -0.0004706000000000, 0.0002521000000000, -0.0000700900000000 ] - [ 0.0022340700000000, 0.0071361600000000, 0.0032447200000000 ] - [ -0.0002162000000000, -0.0001207900000000, 0.0000435100000000 ] - [ -0.0040762900000000, 0.0033007500000000, -0.0049572800000000 ] - [ 0.0000602200000000, 0.0009625200000000, -0.0002047100000000 ] - [ 0.0004972400000000, -0.0001493200000000, 0.0004726500000000 ] - [ -0.0050557000000000, 0.0007807000000000, 0.0072049200000000 ] - [ 0.0023609800000000, 0.0012709300000000, 0.0004605000000000 ] - [ -0.0008523600000000, 0.0022438600000000, 0.0003117700000000 ] - [ -0.0002590300000000, -0.0016240200000000, -0.0010205400000000 ] - [ 0.0005176600000000, -0.0003716200000000, -0.0004858500000000 ] - [ 0.0001793400000000, -0.0005105400000000, 0.0002255400000000 ] - [ 0.0004004200000000, 0.0047786600000000, -0.0011615800000000 ] - [ -0.0001941300000000, -0.0001278900000000, 0.0000300900000000 ] - [ 0.0013735400000000, 0.0088880000000000, 0.0010683400000000 ] - [ -0.0003513200000000, 0.0000564400000000, 0.0001369300000000 ] - [ -0.0040170200000000, 0.0018522900000000, -0.0029156600000000 ] - [ 0.0005909200000000, 0.0000011700000000, 0.0000003200000000 ] - [ -0.0021824700000000, -0.0004622700000000, 0.0020054800000000 ] - [ -0.0030290400000000, -0.0037500900000000, 0.0003438200000000 ] - [ 0.0000029400000000, -0.0005017500000000, -0.0000600200000000 ] - [ 0.0003256700000000, 0.0002528200000000, -0.0002793700000000 ] - [ -0.0013071800000000, 0.0000499800000000, -0.0006194200000000 ] - [ 0.0010959600000000, -0.0072790000000000, 0.0005032200000000 ] - [ 0.0004824400000000, -0.0003901900000000, 0.0000469100000000 ] - [ 0.0004308700000000, -0.0008519000000000, 0.0000181000000000 ] - [ 0.0025168500000000, -0.0025347300000000, -0.0031782600000000 ] - [ 0.0008281400000000, -0.0083954100000000, -0.0010694700000000 ] - [ 0.0002315400000000, -0.0008638300000000, -0.0000111000000000 ] - [ -0.0008472400000000, 0.0007037300000000, 0.0000678000000000 ] - [ 0.0023185700000000, -0.0018771100000000, 0.0008673800000000 ] - [ 0.0003739100000000, 0.0021499200000000, 0.0014413500000000 ] - [ -0.0007128400000000, -0.0002305000000000, 0.0006163000000000 ] - [ 0.0005958400000000, -0.0010327800000000, -0.0001112100000000 ] - [ 0.0009427200000000, -0.0015480500000000, -0.0002393000000000 ] - [ -0.0005315000000000, 0.0107992500000000, -0.0023658000000000 ] - [ 0.0005747700000000, 0.0008622600000000, 0.0000334700000000 ] - [ -0.0006932000000000, 0.0006774000000000, -0.0004622800000000 ] - [ -0.0053254100000000, 0.0110330400000000, 0.0023151300000000 ] - [ -0.0036190400000000, 0.0015198100000000, 0.0026660800000000 ] - [ -0.0001825700000000, 0.0003273900000000, -0.0000319800000000 ] - [ 0.0016747600000000, 0.0008411800000000, -0.0042281000000000 ] - [ -0.0005347600000000, -0.0007100800000000, 0.0000433500000000 ] - [ 0.0001410200000000, 0.0005328400000000, 0.0005418500000000 ] - [ -0.0002654200000000, 0.0008954300000000, 0.0009406400000000 ] - [ -0.0013770500000000, -0.0012673300000000, -0.0030851000000000 ] - [ 0.0006795800000000, 0.0001700500000000, -0.0001912300000000 ] - [ -0.0004948700000000, 0.0092435300000000, 0.0007015000000000 ] - [ 0.0008192100000000, 0.0005108500000000, 0.0004046500000000 ] - [ -0.0017362400000000, 0.0059582000000000, -0.0003248200000000 ] - [ -0.0001083400000000, 0.0000287500000000, -0.0005367000000000 ] - [ -0.0004525700000000, 0.0003977200000000, 0.0000060400000000 ] - [ 0.0010348100000000, 0.0008912100000000, 0.0018066300000000 ] - [ 0.0002084600000000, 0.0053904600000000, -0.0006786900000000 ] - [ -0.0003456400000000, -0.0001612600000000, 0.0000443400000000 ] - [ 0.0005138000000000, -0.0008729700000000, 0.0000977900000000 ] - [ 0.0004423400000000, -0.0019676800000000, -0.0000504100000000 ] - [ 0.0010391700000000, -0.0007430100000000, 0.0017922800000000 ] - [ 0.0005391900000000, 0.0003042500000000, 0.0000111700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003704900000000, 0.0014475000000000, 0.0001548300000000 ] - [ -0.0000027000000000, 0.0000834100000000, 0.0000635600000000 ] - [ 0.0059629600000000, -0.0046295100000000, 0.0006005600000000 ] - [ -0.0001523500000000, -0.0001898700000000, 0.0000579000000000 ] - [ -0.0012742100000000, 0.0004350100000000, 0.0001282300000000 ] - [ 0.0026050300000000, 0.0004152600000000, 0.0003995000000000 ] - [ 0.0001073000000000, -0.0000271500000000, -0.0000152500000000 ] - [ -0.0001209900000000, -0.0011805900000000, -0.0000959700000000 ] - [ -0.0205909400000000, 0.0743198900000000, -0.0003293900000000 ] - [ 0.0002275500000000, -0.0001277600000000, 0.0000804700000000 ] - [ 0.0011018500000000, -0.0006941900000000, 0.0000620700000000 ] - [ -0.0004078700000000, 0.0001975900000000, 0.0003821900000000 ] - [ -0.0004826700000000, 0.0005974000000000, 0.0001752200000000 ] - [ 0.0010163100000000, 0.0005989500000000, -0.0003172500000000 ] - [ 0.0000371300000000, -0.0004130800000000, -0.0001867000000000 ] - [ -0.0014067400000000, -0.0211461600000000, 0.0009912700000000 ] - [ 0.0026504200000000, -0.0080259800000000, 0.0089055000000000 ] - [ -0.0002263200000000, -0.0003023200000000, 0.0003011400000000 ] - [ 0.0004030000000000, -0.0000471500000000, -0.0002487400000000 ] - [ 0.0109344600000000, -0.0003470400000000, 0.0082264500000000 ] - [ -0.0006578400000000, -0.0003987200000000, -0.0002007700000000 ] - [ 0.0000832600000000, -0.0021373700000000, -0.0002076800000000 ] - [ 0.0009490300000000, 0.0038437000000000, 0.0001635400000000 ] - [ 0.0004504200000000, 0.0003969300000000, 0.0003438500000000 ] - [ 0.0045439100000000, 0.0126028700000000, 0.0008334400000000 ] - [ 0.0006505100000000, 0.0004626200000000, 0.0004407000000000 ] - [ 0.0010239000000000, -0.0000655900000000, 0.0003542900000000 ] - [ -0.0073581000000000, 0.0078436600000000, 0.0067789800000000 ] - [ 0.0000017200000000, -0.0060192600000000, -0.0202603700000000 ] - [ -0.0006876700000000, -0.0000045300000000, 0.0003344700000000 ] - [ 0.0003512000000000, -0.0000522600000000, -0.0000973000000000 ] - [ -0.0050231000000000, 0.0045575400000000, -0.0009108300000000 ] - [ -0.0017391600000000, -0.0012797600000000, -0.0000905600000000 ] - [ -0.0001112600000000, -0.0034463300000000, -0.0000044600000000 ] - [ 0.0009376000000000, 0.0004914300000000, -0.0003406400000000 ] - [ 0.0031426700000000, 0.0011504300000000, -0.0151046800000000 ] - [ -0.0099213300000000, -0.0115601200000000, 0.0108735000000000 ] - [ 0.0001939300000000, 0.0002046400000000, 0.0001233200000000 ] - [ -0.0019136700000000, -0.0076329500000000, -0.0031475200000000 ] - [ 0.0004878100000000, -0.0003431100000000, 0.0000112400000000 ] - [ 0.0038600100000000, -0.0017406300000000, 0.0048372200000000 ] - [ -0.0002674200000000, 0.0005255500000000, 0.0000792500000000 ] - [ 0.0000389800000000, 0.0000694700000000, 0.0005428400000000 ] - [ 0.0055523200000000, -0.0010415400000000, -0.0061197000000000 ] - [ -0.0012542300000000, -0.0014843000000000, -0.0001310800000000 ] - [ 0.0019476000000000, -0.0024607700000000, 0.0000171800000000 ] - [ 0.0007817200000000, 0.0017086100000000, 0.0000023400000000 ] - [ 0.0000178900000000, 0.0004492300000000, -0.0005318600000000 ] - [ -0.0003844900000000, -0.0009756900000000, -0.0000950500000000 ] - [ -0.0006052600000000, -0.0062666300000000, 0.0012837800000000 ] - [ -0.0004757300000000, -0.0003669900000000, -0.0000665600000000 ] - [ -0.0020003700000000, -0.0093709500000000, -0.0010926800000000 ] - [ -0.0007401600000000, 0.0001546700000000, 0.0001877600000000 ] - [ 0.0029586100000000, -0.0016669400000000, 0.0032613500000000 ] - [ 0.0000843900000000, 0.0004885600000000, -0.0000342200000000 ] - [ 0.0028587700000000, 0.0009565600000000, -0.0020395800000000 ] - [ 0.0019051400000000, 0.0035339300000000, -0.0006519700000000 ] - [ -0.0010846000000000, 0.0002879900000000, -0.0002671300000000 ] - [ -0.0001242200000000, 0.0012211000000000, 0.0004100100000000 ] - [ 0.0015209900000000, 0.0014174200000000, 0.0007578000000000 ] - [ -0.0004391700000000, 0.0067819200000000, -0.0005174200000000 ] - [ 0.0001945100000000, -0.0001041500000000, -0.0000140400000000 ] - [ 0.0006879400000000, -0.0006833500000000, -0.0000461800000000 ] - [ -0.0013996200000000, 0.0010013900000000, 0.0031638900000000 ] - [ -0.0006161500000000, 0.0069145500000000, 0.0009298200000000 ] - [ -0.0000229800000000, -0.0006257100000000, -0.0001213900000000 ] - [ -0.0002813000000000, 0.0008366500000000, -0.0000978900000000 ] - [ -0.0034124300000000, 0.0034202900000000, -0.0008805700000000 ] - [ -0.0018366400000000, -0.0032566700000000, -0.0005586600000000 ] - [ -0.0007544700000000, -0.0008869300000000, 0.0002481900000000 ] - [ 0.0008662300000000, -0.0000880100000000, -0.0007464000000000 ] - [ 0.0005308300000000, 0.0004274500000000, -0.0006184600000000 ] - [ 0.0017926600000000, -0.0093439600000000, 0.0025867500000000 ] - [ 0.0005473100000000, 0.0006744800000000, -0.0000056900000000 ] - [ -0.0007738900000000, 0.0004437300000000, -0.0004030000000000 ] - [ 0.0034712600000000, -0.0094467800000000, -0.0027929500000000 ] - [ 0.0029196000000000, -0.0010045700000000, -0.0026220300000000 ] - [ -0.0004922200000000, 0.0001722200000000, 0.0000689200000000 ] - [ -0.0028174000000000, -0.0024087400000000, 0.0042784200000000 ] - [ -0.0005870100000000, -0.0008269600000000, -0.0000154100000000 ] - [ -0.0006692300000000, -0.0004585800000000, 0.0004632000000000 ] - [ -0.0002795700000000, -0.0008283700000000, 0.0000594900000000 ] - [ 0.0024657300000000, 0.0014905500000000, 0.0027486700000000 ] - [ 0.0004137600000000, 0.0000444300000000, -0.0001317700000000 ] - [ 0.0019974100000000, -0.0091322400000000, -0.0003209800000000 ] - [ 0.0006495600000000, 0.0006062100000000, 0.0004607800000000 ] - [ 0.0012154400000000, -0.0053913400000000, -0.0011356000000000 ] - [ -0.0004223600000000, -0.0001043500000000, -0.0004810900000000 ] - [ -0.0005151600000000, 0.0002890000000000, 0.0000512900000000 ] - [ -0.0019908000000000, -0.0001943100000000, -0.0017476900000000 ] - [ -0.0011514100000000, -0.0060813600000000, 0.0005808700000000 ] - [ -0.0006256100000000, -0.0005243100000000, -0.0000997000000000 ] - [ 0.0004498000000000, 0.0001886900000000, -0.0000437800000000 ] - [ 0.0005318700000000, 0.0012847600000000, 0.0001001600000000 ] - [ -0.0000790300000000, 0.0014179800000000, -0.0018496600000000 ] - [ 0.0004280300000000, 0.0003797300000000, -0.0000678600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000137400000000, -0.0001502400000000, 0.0046869200000000 ] - [ -0.0000492100000000, 0.0000288800000000, 0.0006614800000000 ] - [ 0.0001448600000000, -0.0005520100000000, -0.0049084800000000 ] - [ 0.0000962500000000, -0.0000393500000000, -0.0012115300000000 ] - [ -0.0002251000000000, -0.0002598000000000, -0.0027552700000000 ] - [ -0.0003487900000000, -0.0006155200000000, -0.0035924300000000 ] - [ 0.0000973600000000, 0.0000477600000000, 0.0006641700000000 ] - [ 0.0002361000000000, 0.0002319700000000, 0.0030502800000000 ] - [ -0.0133592300000000, 0.0003974100000000, -0.0822216200000000 ] - [ 0.0001588000000000, -0.0001905900000000, -0.0013743600000000 ] - [ -0.0005935100000000, 0.0001735800000000, 0.0061474700000000 ] - [ -0.0002512700000000, 0.0004936600000000, 0.0027828900000000 ] - [ -0.0003627500000000, 0.0004284600000000, 0.0039345400000000 ] - [ 0.0000123700000000, -0.0000661400000000, 0.0039358000000000 ] - [ -0.0000006100000000, -0.0002984700000000, -0.0017046700000000 ] - [ 0.0015341700000000, 0.0008619100000000, -0.0125680800000000 ] - [ -0.0000488600000000, -0.0104938300000000, 0.0078183400000000 ] - [ -0.0002788700000000, -0.0004284600000000, 0.0004857000000000 ] - [ -0.0000863700000000, -0.0002146600000000, -0.0001034700000000 ] - [ 0.0091849800000000, -0.0102569700000000, 0.0073206100000000 ] - [ 0.0012563100000000, 0.0003321600000000, -0.0000803000000000 ] - [ -0.0025610200000000, 0.0000602600000000, -0.0000140300000000 ] - [ -0.0059890300000000, 0.0001358400000000, 0.0067607600000000 ] - [ 0.0023180300000000, -0.0000713900000000, 0.0003277600000000 ] - [ 0.0181315700000000, 0.0026951400000000, 0.0111466600000000 ] - [ -0.0022829500000000, 0.0004963300000000, 0.0012259800000000 ] - [ 0.0032994500000000, -0.0008837000000000, 0.0013385900000000 ] - [ -0.0116696100000000, -0.0009788000000000, 0.0073603200000000 ] - [ -0.0013031400000000, 0.0096600400000000, 0.0120992900000000 ] - [ -0.0008804500000000, 0.0002918600000000, 0.0000532600000000 ] - [ -0.0026727200000000, 0.0000730100000000, 0.0001092600000000 ] - [ 0.0106290000000000, 0.0077356700000000, 0.0085389600000000 ] - [ -0.0044330000000000, -0.0004376100000000, 0.0007073200000000 ] - [ 0.0023204600000000, 0.0007813000000000, 0.0012708100000000 ] - [ 0.0017136200000000, 0.0004773300000000, -0.0004890900000000 ] - [ -0.0053627400000000, 0.0066433600000000, 0.0134110200000000 ] - [ -0.0087616400000000, -0.0058682700000000, 0.0073592200000000 ] - [ 0.0009008900000000, 0.0003151700000000, 0.0003384300000000 ] - [ 0.0026602500000000, 0.0058383600000000, 0.0054238100000000 ] - [ -0.0005832500000000, -0.0000115100000000, 0.0000259400000000 ] - [ -0.0055435800000000, -0.0041986500000000, -0.0028880600000000 ] - [ 0.0006604900000000, 0.0003449100000000, 0.0000921600000000 ] - [ -0.0006419200000000, 0.0003816800000000, 0.0009106300000000 ] - [ 0.0054215600000000, 0.0052530700000000, 0.0008044400000000 ] - [ -0.0051650500000000, 0.0004441800000000, 0.0000881500000000 ] - [ 0.0049982700000000, -0.0008863400000000, 0.0003602100000000 ] - [ -0.0017424700000000, -0.0014756200000000, -0.0033118800000000 ] - [ 0.0012552100000000, 0.0001464800000000, -0.0011674400000000 ] - [ -0.0009629200000000, -0.0011064000000000, -0.0005318600000000 ] - [ 0.0024769500000000, -0.0008180500000000, -0.0040041300000000 ] - [ 0.0005961100000000, -0.0001005500000000, 0.0004909700000000 ] - [ 0.0019878800000000, -0.0020312300000000, 0.0076546800000000 ] - [ 0.0000614200000000, -0.0000836900000000, -0.0000816700000000 ] - [ -0.0021719200000000, -0.0018122800000000, -0.0033550400000000 ] - [ -0.0003676700000000, 0.0006462100000000, -0.0010654500000000 ] - [ 0.0034091400000000, 0.0013025300000000, -0.0030270600000000 ] - [ 0.0040471500000000, 0.0013931100000000, 0.0000629000000000 ] - [ -0.0021509700000000, -0.0005302000000000, -0.0001020700000000 ] - [ 0.0013778600000000, 0.0007104300000000, 0.0002819000000000 ] - [ -0.0026647300000000, -0.0023214800000000, 0.0003495400000000 ] - [ -0.0002509300000000, 0.0008728400000000, 0.0015099500000000 ] - [ 0.0005646200000000, -0.0003526000000000, 0.0003591900000000 ] - [ -0.0000835500000000, -0.0006103400000000, -0.0005879600000000 ] - [ 0.0031991200000000, -0.0022090600000000, -0.0033110700000000 ] - [ 0.0010518300000000, -0.0005335900000000, -0.0037190500000000 ] - [ -0.0001051300000000, -0.0006840600000000, -0.0003045700000000 ] - [ 0.0006952600000000, 0.0005964100000000, 0.0004539800000000 ] - [ -0.0034132800000000, 0.0034055000000000, 0.0013923500000000 ] - [ -0.0033368100000000, -0.0010376800000000, -0.0056390100000000 ] - [ -0.0000303400000000, -0.0006868400000000, -0.0010282800000000 ] - [ 0.0016255800000000, -0.0004763000000000, -0.0021631100000000 ] - [ -0.0003011400000000, -0.0008591100000000, -0.0024162600000000 ] - [ 0.0041422400000000, -0.0041802700000000, 0.0107026600000000 ] - [ 0.0015010600000000, 0.0009468700000000, 0.0003554400000000 ] - [ -0.0011673200000000, 0.0003897600000000, 0.0002772300000000 ] - [ -0.0044804800000000, 0.0041401500000000, 0.0103300200000000 ] - [ 0.0028374900000000, 0.0011003000000000, -0.0043303500000000 ] - [ -0.0008679600000000, 0.0005121600000000, -0.0005235900000000 ] - [ 0.0024480200000000, -0.0027595800000000, -0.0059445700000000 ] - [ -0.0011668900000000, -0.0011024900000000, -0.0003800400000000 ] - [ 0.0021968800000000, -0.0003310300000000, -0.0013533400000000 ] - [ -0.0038614400000000, -0.0001297100000000, -0.0029154300000000 ] - [ -0.0000106500000000, -0.0015880600000000, -0.0038808200000000 ] - [ 0.0005377700000000, 0.0000494700000000, -0.0003427100000000 ] - [ 0.0000342000000000, 0.0018503300000000, 0.0097534700000000 ] - [ 0.0006464600000000, 0.0005141700000000, 0.0010457300000000 ] - [ 0.0010982900000000, -0.0004966600000000, 0.0064043800000000 ] - [ -0.0003462500000000, -0.0000685000000000, -0.0001469800000000 ] - [ -0.0003509600000000, 0.0003878600000000, -0.0004722300000000 ] - [ -0.0019096600000000, 0.0013774500000000, -0.0042254500000000 ] - [ 0.0012867500000000, -0.0004596500000000, 0.0041179900000000 ] - [ -0.0015291900000000, -0.0002958700000000, 0.0006443200000000 ] - [ -0.0004442100000000, -0.0004283200000000, 0.0007524400000000 ] - [ 0.0017669300000000, -0.0002898900000000, 0.0010523000000000 ] - [ 0.0001232900000000, 0.0014279500000000, -0.0046162000000000 ] - [ 0.0004155100000000, 0.0003681500000000, -0.0003736200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001871200000000, 0.0002464700000000, -0.0046186400000000 ] - [ -0.0001240500000000, 0.0000620600000000, -0.0005931500000000 ] - [ 0.0000013400000000, 0.0004850700000000, 0.0049622700000000 ] - [ 0.0000744300000000, -0.0000523300000000, 0.0012749000000000 ] - [ 0.0000405600000000, 0.0001634500000000, 0.0026796900000000 ] - [ 0.0001939700000000, 0.0005207700000000, 0.0035232700000000 ] - [ 0.0000726500000000, 0.0000434000000000, -0.0007282100000000 ] - [ -0.0000652800000000, -0.0001392400000000, -0.0031166000000000 ] - [ 0.0136918600000000, -0.0009008500000000, 0.0823219400000000 ] - [ -0.0000438000000000, -0.0002922700000000, 0.0016305300000000 ] - [ 0.0004892700000000, 0.0003015100000000, -0.0058914500000000 ] - [ 0.0001353100000000, -0.0000101700000000, -0.0025209600000000 ] - [ 0.0004832200000000, 0.0000563900000000, -0.0041887300000000 ] - [ 0.0000952900000000, 0.0005512400000000, -0.0041877200000000 ] - [ -0.0001140800000000, -0.0001848900000000, 0.0014434800000000 ] - [ -0.0016287300000000, -0.0013461100000000, 0.0122833800000000 ] - [ -0.0006912600000000, 0.0099564000000000, -0.0071901600000000 ] - [ -0.0004716400000000, -0.0000134700000000, 0.0001142500000000 ] - [ 0.0008367300000000, -0.0002268900000000, -0.0004945200000000 ] - [ -0.0085066100000000, 0.0099045000000000, -0.0079310100000000 ] - [ -0.0020038900000000, 0.0001100100000000, -0.0005225200000000 ] - [ 0.0018077600000000, 0.0003781400000000, -0.0005920100000000 ] - [ 0.0068073800000000, 0.0003161300000000, -0.0061364500000000 ] - [ -0.0015635900000000, 0.0005124100000000, 0.0002736100000000 ] - [ -0.0162571800000000, -0.0029593200000000, -0.0104911200000000 ] - [ 0.0040388000000000, -0.0007404000000000, -0.0006029800000000 ] - [ -0.0030283300000000, 0.0013645600000000, -0.0014027300000000 ] - [ 0.0118699600000000, 0.0014118700000000, -0.0074166500000000 ] - [ -0.0004657200000000, -0.0095929300000000, -0.0114539200000000 ] - [ -0.0008785600000000, -0.0000454900000000, 0.0005719100000000 ] - [ 0.0024013400000000, -0.0005546200000000, -0.0001625600000000 ] - [ -0.0109492200000000, -0.0082085500000000, -0.0085894100000000 ] - [ 0.0026662100000000, 0.0001906800000000, -0.0013203900000000 ] - [ -0.0040734700000000, -0.0010293000000000, -0.0018866300000000 ] - [ 0.0000498500000000, -0.0002307300000000, -0.0001377100000000 ] - [ 0.0070355800000000, -0.0062811400000000, -0.0140193000000000 ] - [ 0.0084760300000000, 0.0064004500000000, -0.0072687400000000 ] - [ -0.0011645300000000, 0.0001674200000000, -0.0002736400000000 ] - [ -0.0023776300000000, -0.0062835800000000, -0.0053671100000000 ] - [ 0.0008501000000000, -0.0004706200000000, 0.0000355000000000 ] - [ 0.0053031900000000, 0.0056583000000000, 0.0027857000000000 ] - [ -0.0008712300000000, 0.0011444000000000, -0.0002221200000000 ] - [ 0.0010834500000000, -0.0004244300000000, 0.0001045400000000 ] - [ -0.0050022800000000, -0.0053532800000000, 0.0003525400000000 ] - [ 0.0062489400000000, -0.0006576600000000, 0.0002524600000000 ] - [ -0.0038903300000000, 0.0006668800000000, -0.0000125600000000 ] - [ 0.0021795600000000, 0.0015154700000000, 0.0022983800000000 ] - [ -0.0008098400000000, -0.0001025200000000, 0.0001543000000000 ] - [ 0.0007505600000000, -0.0003851700000000, 0.0006640700000000 ] - [ -0.0026552000000000, -0.0006779400000000, 0.0041314400000000 ] - [ -0.0013004900000000, -0.0004762600000000, -0.0005180400000000 ] - [ -0.0031142800000000, 0.0014919800000000, -0.0079818900000000 ] - [ -0.0011582300000000, 0.0002995600000000, 0.0004182100000000 ] - [ 0.0010854300000000, 0.0020443700000000, 0.0036748800000000 ] - [ 0.0010717400000000, -0.0000686300000000, 0.0010423900000000 ] - [ -0.0026989100000000, -0.0007175500000000, 0.0030066500000000 ] - [ -0.0051375300000000, -0.0016102500000000, -0.0004095400000000 ] - [ 0.0010501400000000, 0.0003137400000000, -0.0002386900000000 ] - [ -0.0011640700000000, 0.0007790700000000, -0.0001535300000000 ] - [ 0.0028742600000000, 0.0038132600000000, -0.0002236100000000 ] - [ 0.0009624100000000, -0.0014459400000000, -0.0014683500000000 ] - [ 0.0001427700000000, -0.0002247200000000, -0.0003336600000000 ] - [ 0.0012593800000000, -0.0009780300000000, 0.0005849400000000 ] - [ -0.0020182700000000, 0.0006142200000000, 0.0033255200000000 ] - [ -0.0008306700000000, -0.0009415400000000, 0.0035458600000000 ] - [ 0.0003145200000000, -0.0008056100000000, 0.0001713400000000 ] - [ -0.0018702300000000, 0.0009922900000000, -0.0004586100000000 ] - [ 0.0022310800000000, -0.0018193100000000, -0.0014010900000000 ] - [ 0.0018568400000000, -0.0000665900000000, 0.0064909400000000 ] - [ -0.0014358100000000, -0.0004208400000000, 0.0018758500000000 ] - [ -0.0001582100000000, -0.0006311800000000, 0.0013066000000000 ] - [ 0.0017718900000000, -0.0002485600000000, 0.0015636300000000 ] - [ -0.0025303800000000, 0.0054364200000000, -0.0101782800000000 ] - [ -0.0003215900000000, 0.0006414000000000, -0.0003511400000000 ] - [ -0.0003016300000000, 0.0007176700000000, -0.0011248800000000 ] - [ 0.0027740600000000, -0.0027304000000000, -0.0109672600000000 ] - [ -0.0035536000000000, -0.0005396200000000, 0.0043427000000000 ] - [ 0.0001615800000000, 0.0000644700000000, 0.0005452900000000 ] - [ -0.0036534200000000, 0.0012148500000000, 0.0059652700000000 ] - [ -0.0000128000000000, -0.0004872900000000, 0.0003830200000000 ] - [ -0.0026449400000000, 0.0003722500000000, 0.0023542500000000 ] - [ 0.0034099300000000, 0.0001673500000000, 0.0039112600000000 ] - [ 0.0011120900000000, 0.0017811400000000, 0.0035458500000000 ] - [ 0.0005581300000000, 0.0001663000000000, 0.0000042700000000 ] - [ 0.0014376500000000, -0.0009652100000000, -0.0090364900000000 ] - [ 0.0008229000000000, 0.0005941700000000, -0.0001974600000000 ] - [ -0.0015510800000000, 0.0007637300000000, -0.0076687700000000 ] - [ -0.0000982500000000, 0.0000244300000000, -0.0008663700000000 ] - [ -0.0006074700000000, 0.0002880300000000, 0.0004518000000000 ] - [ 0.0009590400000000, -0.0007083800000000, 0.0041977700000000 ] - [ -0.0020857800000000, -0.0002126900000000, -0.0042165400000000 ] - [ 0.0005701900000000, -0.0003802300000000, -0.0006245300000000 ] - [ 0.0014006800000000, -0.0002478300000000, -0.0007691400000000 ] - [ -0.0008119300000000, -0.0003809000000000, -0.0010663200000000 ] - [ 0.0008320400000000, -0.0007442700000000, 0.0046343400000000 ] - [ 0.0005410700000000, 0.0003070700000000, 0.0003930800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027239800000000, -0.0000993700000000, 0.0001735000000000 ] - [ 0.0011740100000000, 0.0000032400000000, 0.0000225000000000 ] - [ 0.0031639000000000, -0.0017563700000000, -0.0067766000000000 ] - [ 0.0016635000000000, 0.0001371600000000, 0.0007334400000000 ] - [ 0.0010014600000000, 0.0003657900000000, -0.0010831500000000 ] - [ 0.0002790000000000, -0.0005092200000000, 0.0008741400000000 ] - [ 0.0012560200000000, 0.0000098700000000, 0.0002635400000000 ] - [ -0.0014057800000000, 0.0009819200000000, -0.0024097600000000 ] - [ -0.0127185000000000, -0.0032624300000000, 0.0004623200000000 ] - [ 0.0026367200000000, -0.0003874500000000, 0.0002241500000000 ] - [ 0.0003714400000000, -0.0003334100000000, 0.0065500600000000 ] - [ 0.0028953700000000, 0.0001668100000000, -0.0018052400000000 ] - [ 0.0014988800000000, 0.0006953400000000, 0.0020587500000000 ] - [ 0.0010470100000000, -0.0000468000000000, -0.0017550700000000 ] - [ 0.0024897400000000, -0.0002104100000000, -0.0005933300000000 ] - [ -0.0046453600000000, 0.0103444100000000, 0.0086930100000000 ] - [ -0.1612658200000000, -0.0131993300000000, 0.0051165600000000 ] - [ 0.0023894700000000, -0.0000595300000000, 0.0004004200000000 ] - [ 0.0018372100000000, -0.0001166700000000, -0.0001576400000000 ] - [ -0.0015534100000000, -0.0004978700000000, -0.0003541800000000 ] - [ 0.0027002700000000, -0.0006314400000000, 0.0001408000000000 ] - [ 0.0026866100000000, 0.0040246200000000, -0.0012835900000000 ] - [ -0.0004763100000000, -0.0001071100000000, -0.0004319200000000 ] - [ 0.0013734900000000, 0.0002418600000000, 0.0003526200000000 ] - [ 0.0181322800000000, 0.0164962900000000, 0.0063776000000000 ] - [ 0.0073153800000000, -0.0013786900000000, -0.0005273100000000 ] - [ 0.0066356800000000, -0.0003196600000000, 0.0008532600000000 ] - [ 0.0301351500000000, -0.0161836900000000, -0.0158663900000000 ] - [ -0.0043171100000000, 0.0002349300000000, 0.0011640500000000 ] - [ 0.0019152300000000, 0.0000415600000000, 0.0000644800000000 ] - [ 0.0021532800000000, -0.0001793300000000, -0.0003288300000000 ] - [ -0.0015192600000000, -0.0005316000000000, 0.0012336400000000 ] - [ -0.0003811700000000, -0.0005842900000000, -0.0000512300000000 ] - [ 0.0000058600000000, 0.0006938400000000, -0.0002915900000000 ] - [ 0.0052409900000000, 0.0007750700000000, -0.0005018000000000 ] - [ -0.0085464800000000, -0.0055192900000000, 0.0007239800000000 ] - [ -0.0036468400000000, 0.0006470000000000, 0.0000348000000000 ] - [ 0.0025615100000000, 0.0002073400000000, -0.0001321000000000 ] - [ -0.0037154100000000, -0.0096978900000000, 0.0058416600000000 ] - [ 0.0046037400000000, -0.0004109000000000, -0.0001101500000000 ] - [ -0.0009551800000000, -0.0063846500000000, -0.0007392600000000 ] - [ -0.0024102200000000, 0.0019880500000000, -0.0000563300000000 ] - [ -0.0030121900000000, 0.0005165100000000, 0.0009462100000000 ] - [ 0.0462744500000000, -0.0051054000000000, 0.0112419400000000 ] - [ -0.0058222400000000, -0.0002975800000000, -0.0003744200000000 ] - [ -0.0082643700000000, 0.0044990900000000, 0.0010421900000000 ] - [ -0.0008886800000000, 0.0019897700000000, -0.0028783500000000 ] - [ -0.0023410600000000, -0.0009715700000000, -0.0003723900000000 ] - [ -0.0024015900000000, -0.0016303400000000, -0.0003900300000000 ] - [ 0.0010550300000000, 0.0079946700000000, 0.0046016700000000 ] - [ -0.0016298400000000, -0.0004762200000000, -0.0000025400000000 ] - [ 0.0011916700000000, 0.0004602000000000, -0.0007422500000000 ] - [ -0.0024707000000000, 0.0004675900000000, 0.0001253600000000 ] - [ 0.0017181000000000, -0.0004205200000000, 0.0003312200000000 ] - [ -0.0021030700000000, 0.0003827500000000, -0.0006747100000000 ] - [ -0.0066965800000000, -0.0014867500000000, 0.0056578000000000 ] - [ 0.0004180000000000, 0.0001346200000000, 0.0005921000000000 ] - [ -0.0019941900000000, -0.0004806400000000, -0.0003281400000000 ] - [ -0.0007165800000000, 0.0006746500000000, 0.0005603900000000 ] - [ -0.0000170100000000, 0.0006256600000000, -0.0011522200000000 ] - [ 0.0278580900000000, -0.0094310300000000, -0.0026936700000000 ] - [ -0.0017598900000000, 0.0000450100000000, -0.0003571300000000 ] - [ -0.0018430400000000, -0.0000950400000000, 0.0000164400000000 ] - [ 0.0015295500000000, -0.0016183300000000, 0.0005268000000000 ] - [ 0.0016085800000000, -0.0013509900000000, -0.0003866600000000 ] - [ -0.0010822600000000, -0.0004484200000000, 0.0000029700000000 ] - [ -0.0016002500000000, 0.0010950100000000, -0.0000219000000000 ] - [ -0.0002931600000000, 0.0003387600000000, -0.0006791300000000 ] - [ -0.0034221000000000, -0.0033766100000000, -0.0052345400000000 ] - [ -0.0027538500000000, -0.0000258200000000, 0.0014113200000000 ] - [ 0.0003207800000000, -0.0005314700000000, -0.0013494200000000 ] - [ 0.0004420100000000, -0.0008784700000000, 0.0002352300000000 ] - [ 0.0465309000000000, 0.0286275300000000, -0.0137972300000000 ] - [ -0.0027169600000000, 0.0000328000000000, -0.0004535400000000 ] - [ -0.0026488500000000, 0.0004081900000000, -0.0000470100000000 ] - [ 0.0036017600000000, 0.0028503200000000, -0.0010278800000000 ] - [ 0.0010042700000000, -0.0001002200000000, -0.0005768500000000 ] - [ -0.0015434500000000, 0.0005012700000000, 0.0004108600000000 ] - [ 0.0014986800000000, -0.0000763000000000, -0.0008507600000000 ] - [ -0.0022094600000000, -0.0010761900000000, 0.0005819600000000 ] - [ -0.0007472300000000, 0.0001744700000000, -0.0001994200000000 ] - [ -0.0004815000000000, 0.0002199000000000, 0.0009574300000000 ] - [ 0.0078581700000000, 0.0029199100000000, -0.0024521200000000 ] - [ -0.0026454000000000, -0.0005141800000000, -0.0000796500000000 ] - [ 0.0047976300000000, 0.0008465900000000, -0.0008404500000000 ] - [ -0.0005724200000000, 0.0004741400000000, 0.0006352600000000 ] - [ 0.0023844600000000, 0.0000720800000000, -0.0008479600000000 ] - [ -0.0019144800000000, -0.0002233600000000, -0.0002541500000000 ] - [ -0.0014009900000000, 0.0003300800000000, -0.0002981100000000 ] - [ 0.0004934700000000, 0.0005019500000000, 0.0003751200000000 ] - [ 0.0001133400000000, -0.0006710100000000, 0.0018791300000000 ] - [ -0.0012716300000000, -0.0002936200000000, -0.0002209900000000 ] - [ -0.0013413600000000, 0.0001709900000000, 0.0004733200000000 ] - [ -0.0015848700000000, -0.0024474900000000, -0.0005089200000000 ] - [ 0.0235537900000000, 0.0007115900000000, 0.0005133100000000 ] - [ -0.0009438100000000, 0.0003138000000000, -0.0001293200000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025552400000000, 0.0001767600000000, -0.0001133100000000 ] - [ -0.0013462400000000, 0.0000875000000000, 0.0000451600000000 ] - [ -0.0029809800000000, 0.0016547700000000, 0.0067775200000000 ] - [ -0.0014913800000000, -0.0002297100000000, -0.0006660700000000 ] - [ -0.0011813600000000, -0.0004596300000000, 0.0010150600000000 ] - [ -0.0004500300000000, 0.0004152900000000, -0.0009446600000000 ] - [ -0.0010839000000000, 0.0000835300000000, -0.0003304000000000 ] - [ 0.0016018200000000, -0.0008888400000000, 0.0023516900000000 ] - [ 0.0128693700000000, 0.0027545300000000, -0.0001798300000000 ] - [ -0.0025233800000000, -0.0000950000000000, 0.0000319900000000 ] - [ -0.0005146200000000, 0.0008190800000000, -0.0062468100000000 ] - [ -0.0030194500000000, 0.0003181500000000, 0.0020760200000000 ] - [ -0.0013868800000000, -0.0002139300000000, -0.0023095700000000 ] - [ -0.0009326500000000, 0.0005303800000000, 0.0015051400000000 ] - [ -0.0026059300000000, -0.0002734700000000, 0.0003303500000000 ] - [ 0.0045858800000000, -0.0108562800000000, -0.0089971300000000 ] - [ 0.1635385900000000, 0.0095938600000000, -0.0012689100000000 ] - [ -0.0031420000000000, -0.0003810400000000, 0.0001986700000000 ] - [ -0.0010890400000000, -0.0003243100000000, -0.0004426300000000 ] - [ 0.0023111700000000, 0.0000567400000000, -0.0002464200000000 ] - [ -0.0034406200000000, 0.0010608400000000, -0.0007376600000000 ] - [ -0.0034540900000000, -0.0036073900000000, 0.0006819500000000 ] - [ 0.0012199700000000, 0.0005447600000000, 0.0010331900000000 ] - [ -0.0006214400000000, 0.0001993100000000, 0.0002485000000000 ] - [ -0.0163367100000000, -0.0165737000000000, -0.0058081600000000 ] - [ -0.0055565900000000, 0.0011366600000000, 0.0011456400000000 ] - [ -0.0063665300000000, 0.0008128100000000, -0.0009220300000000 ] - [ -0.0301800900000000, 0.0168371300000000, 0.0157558500000000 ] - [ 0.0025650200000000, 0.0000099000000000, -0.0005551300000000 ] - [ -0.0036798200000000, 0.0002045800000000, 0.0005599400000000 ] - [ -0.0024253800000000, -0.0003023000000000, 0.0002649600000000 ] - [ 0.0012683000000000, 0.0000448900000000, -0.0012976700000000 ] - [ -0.0013894600000000, 0.0003357000000000, -0.0005728200000000 ] - [ -0.0017611200000000, -0.0009384600000000, -0.0003295800000000 ] - [ -0.0034839100000000, -0.0005304900000000, -0.0001238200000000 ] - [ 0.0103607100000000, 0.0057876300000000, -0.0013544600000000 ] - [ 0.0033777000000000, -0.0001568300000000, 0.0000266100000000 ] - [ -0.0028282200000000, 0.0002756800000000, 0.0001961700000000 ] - [ 0.0038790300000000, 0.0092088900000000, -0.0058198400000000 ] - [ -0.0043453800000000, -0.0000750100000000, 0.0001689400000000 ] - [ 0.0007666100000000, 0.0078677000000000, 0.0006332900000000 ] - [ 0.0021979400000000, -0.0004948900000000, -0.0000709200000000 ] - [ 0.0034552800000000, -0.0005612100000000, 0.0000694600000000 ] - [ -0.0497101000000000, 0.0061371300000000, -0.0118765200000000 ] - [ 0.0069441700000000, 0.0000601900000000, 0.0007261400000000 ] - [ 0.0093304900000000, -0.0046972900000000, -0.0006838000000000 ] - [ 0.0013564700000000, -0.0019145100000000, 0.0018668000000000 ] - [ 0.0027900200000000, 0.0010208000000000, -0.0006415700000000 ] - [ 0.0021924200000000, 0.0001398500000000, 0.0005212500000000 ] - [ -0.0012762400000000, -0.0095335700000000, -0.0044961200000000 ] - [ 0.0009233900000000, -0.0001043300000000, -0.0000232600000000 ] - [ -0.0019041000000000, -0.0010388700000000, 0.0007202300000000 ] - [ 0.0013775500000000, -0.0002530400000000, 0.0002158500000000 ] - [ -0.0028284600000000, 0.0006404900000000, 0.0000154000000000 ] - [ 0.0028029500000000, 0.0001949100000000, 0.0006459000000000 ] - [ 0.0074542400000000, 0.0020646700000000, -0.0057030600000000 ] - [ -0.0015063700000000, -0.0003488900000000, -0.0009364700000000 ] - [ 0.0008970400000000, 0.0002645900000000, -0.0000148700000000 ] - [ 0.0009308600000000, 0.0008149400000000, -0.0004294500000000 ] - [ 0.0002234200000000, 0.0008616000000000, 0.0012829600000000 ] - [ -0.0272652100000000, 0.0089068400000000, 0.0026793700000000 ] - [ 0.0024710800000000, -0.0006249700000000, 0.0003841300000000 ] - [ 0.0030226600000000, -0.0014933400000000, -0.0000213200000000 ] - [ -0.0003577300000000, 0.0000373500000000, -0.0005328000000000 ] - [ -0.0013957200000000, -0.0001455500000000, 0.0002667200000000 ] - [ 0.0012942700000000, -0.0010410400000000, -0.0001334000000000 ] - [ 0.0004249100000000, 0.0004956300000000, 0.0000194600000000 ] - [ -0.0008904600000000, 0.0012521800000000, 0.0006765900000000 ] - [ 0.0019622000000000, 0.0022550900000000, 0.0060763400000000 ] - [ 0.0012873700000000, -0.0010849500000000, -0.0005609900000000 ] - [ 0.0011526700000000, -0.0005776800000000, 0.0005002100000000 ] - [ 0.0010237900000000, -0.0002288800000000, -0.0010877000000000 ] - [ -0.0441446300000000, -0.0252549000000000, 0.0128908000000000 ] - [ 0.0038956700000000, 0.0015564700000000, 0.0004577200000000 ] - [ 0.0011810900000000, 0.0007005800000000, -0.0007992400000000 ] - [ -0.0050849400000000, -0.0017517400000000, 0.0001837300000000 ] - [ -0.0017087400000000, 0.0006809900000000, 0.0006004600000000 ] - [ 0.0008360900000000, 0.0000788000000000, -0.0003873200000000 ] - [ -0.0026697600000000, -0.0015093800000000, 0.0008640200000000 ] - [ 0.0010316900000000, -0.0005143400000000, -0.0005815900000000 ] - [ 0.0003126700000000, -0.0001314200000000, 0.0012121500000000 ] - [ 0.0000347900000000, -0.0001756400000000, 0.0000527700000000 ] - [ -0.0067829700000000, -0.0027287300000000, 0.0021215100000000 ] - [ 0.0037455900000000, 0.0007318900000000, -0.0002611800000000 ] - [ -0.0033398700000000, 0.0002651800000000, 0.0016922700000000 ] - [ 0.0020429500000000, 0.0006339600000000, 0.0002137900000000 ] - [ -0.0028318700000000, -0.0001179300000000, -0.0001665300000000 ] - [ 0.0014755600000000, 0.0001813900000000, -0.0007598600000000 ] - [ 0.0004440600000000, 0.0003455300000000, 0.0002757300000000 ] - [ -0.0014568600000000, 0.0001737400000000, -0.0003974000000000 ] - [ -0.0010700900000000, -0.0000048800000000, -0.0018617800000000 ] - [ 0.0003127300000000, -0.0003823700000000, 0.0002412500000000 ] - [ 0.0022963800000000, -0.0008394100000000, -0.0004920300000000 ] - [ 0.0025512100000000, 0.0017767000000000, 0.0004964800000000 ] - [ -0.0226371700000000, 0.0000107600000000, -0.0009804800000000 ] - [ 0.0019034000000000, 0.0003608400000000, 0.0001504200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003176400000000, 0.0011239700000000, 0.0014753100000000 ] - [ -0.0000517300000000, 0.0000908400000000, 0.0001343300000000 ] - [ -0.0017941100000000, -0.0054995700000000, 0.0010880700000000 ] - [ 0.0000062400000000, -0.0001860900000000, -0.0000958700000000 ] - [ -0.0001228900000000, 0.0011822000000000, -0.0001977500000000 ] - [ 0.0001494200000000, 0.0002618900000000, -0.0000875200000000 ] - [ -0.0000676200000000, -0.0000557500000000, -0.0000074400000000 ] - [ 0.0012702300000000, -0.0003122700000000, -0.0016700700000000 ] - [ -0.0043842000000000, 0.0075829900000000, -0.0101352700000000 ] - [ 0.0002077900000000, -0.0001542500000000, -0.0000779300000000 ] - [ -0.0006905000000000, -0.0033839300000000, 0.0002098000000000 ] - [ -0.0001586900000000, 0.0000598800000000, 0.0004192700000000 ] - [ -0.0002252400000000, 0.0025921800000000, -0.0002836300000000 ] - [ 0.0003024400000000, 0.0008557600000000, -0.0000143200000000 ] - [ -0.0005775700000000, -0.0004111100000000, -0.0001359400000000 ] - [ 0.0114402800000000, -0.0001237600000000, 0.0099201200000000 ] - [ -0.0136451600000000, -0.1663781100000000, 0.0094932900000000 ] - [ -0.0002139500000000, -0.0003842700000000, 0.0003977200000000 ] - [ 0.0002722700000000, 0.0000807400000000, -0.0003041700000000 ] - [ 0.0006524800000000, 0.0005252900000000, -0.0003034500000000 ] - [ -0.0041848600000000, -0.0010858000000000, -0.0001847500000000 ] - [ 0.0004674200000000, -0.0010785900000000, -0.0001878700000000 ] - [ 0.0000475400000000, 0.0003336800000000, -0.0006352500000000 ] - [ 0.0003977500000000, 0.0002827000000000, 0.0002715700000000 ] - [ 0.0194559900000000, 0.0231020200000000, 0.0064596500000000 ] - [ 0.0001464200000000, 0.0002161400000000, 0.0005428200000000 ] - [ 0.0029615600000000, -0.0023828000000000, 0.0020519500000000 ] - [ -0.0108542400000000, 0.0024106000000000, 0.0031798000000000 ] - [ -0.0007875200000000, -0.0004881100000000, 0.0002501400000000 ] - [ -0.0008942900000000, 0.0000158200000000, 0.0002875000000000 ] - [ -0.0000316600000000, -0.0006838900000000, -0.0001653700000000 ] - [ 0.0000672000000000, -0.0007710800000000, -0.0004050700000000 ] - [ -0.0021294700000000, -0.0007195400000000, -0.0002165000000000 ] - [ -0.0001645100000000, -0.0007953400000000, -0.0001103100000000 ] - [ 0.0007431800000000, 0.0015639500000000, -0.0000386000000000 ] - [ 0.0059790200000000, 0.0100150200000000, -0.0009551000000000 ] - [ -0.0001065900000000, 0.0010878900000000, 0.0009702900000000 ] - [ 0.0000245700000000, 0.0003061400000000, 0.0000773900000000 ] - [ -0.0171653400000000, 0.0364928900000000, -0.0150976500000000 ] - [ 0.0002396700000000, -0.0001207400000000, 0.0002067200000000 ] - [ 0.0035591200000000, -0.0155806000000000, 0.0000376900000000 ] - [ 0.0000060500000000, 0.0004768500000000, -0.0000777600000000 ] - [ -0.0003726400000000, 0.0006733200000000, 0.0004694900000000 ] - [ -0.0061641900000000, 0.0231481600000000, -0.0017144600000000 ] - [ -0.0074144000000000, -0.0015187300000000, -0.0009254200000000 ] - [ 0.0014701900000000, -0.0011343200000000, 0.0002683900000000 ] - [ 0.0072973100000000, -0.0023993300000000, 0.0050630800000000 ] - [ -0.0000457300000000, 0.0002123000000000, -0.0005537500000000 ] - [ -0.0009769500000000, -0.0012752300000000, -0.0005839600000000 ] - [ 0.0013754300000000, -0.0048911600000000, -0.0004245000000000 ] - [ -0.0004754200000000, -0.0003540800000000, 0.0001729800000000 ] - [ 0.0001976900000000, -0.0005503200000000, 0.0008155500000000 ] - [ -0.0005149900000000, 0.0002253800000000, 0.0001660500000000 ] - [ -0.0009263800000000, 0.0003895000000000, 0.0001880800000000 ] - [ 0.0007597300000000, 0.0022451400000000, -0.0005138600000000 ] - [ 0.0014886900000000, 0.0016857300000000, -0.0018966700000000 ] - [ 0.0001582700000000, -0.0001877600000000, -0.0012937400000000 ] - [ -0.0008320300000000, -0.0000854700000000, -0.0001542000000000 ] - [ 0.0003086900000000, 0.0014122600000000, 0.0002181000000000 ] - [ 0.0000079600000000, 0.0011512800000000, 0.0001964000000000 ] - [ -0.0075626800000000, 0.0450193900000000, 0.0140796300000000 ] - [ 0.0002989200000000, -0.0002075000000000, 0.0000214900000000 ] - [ 0.0020074700000000, -0.0016469300000000, -0.0000279600000000 ] - [ -0.0013212400000000, -0.0021622200000000, 0.0004278400000000 ] - [ -0.0000691800000000, -0.0003708500000000, 0.0001990300000000 ] - [ 0.0000742800000000, -0.0006896800000000, -0.0000779600000000 ] - [ -0.0001480400000000, 0.0006049300000000, 0.0000391400000000 ] - [ -0.0014759700000000, 0.0004092800000000, -0.0009340200000000 ] - [ -0.0041398900000000, -0.0046826300000000, -0.0048029400000000 ] - [ -0.0005535700000000, -0.0006875500000000, 0.0002041200000000 ] - [ 0.0012494800000000, -0.0004345200000000, -0.0002177100000000 ] - [ 0.0004664500000000, -0.0003274500000000, -0.0005733300000000 ] - [ 0.0295200100000000, 0.0477658700000000, -0.0169898300000000 ] - [ 0.0007029300000000, 0.0008098000000000, 0.0000174800000000 ] - [ -0.0008135900000000, -0.0000225300000000, -0.0004281000000000 ] - [ -0.0021925100000000, -0.0048866400000000, -0.0008762700000000 ] - [ 0.0000339000000000, -0.0005264200000000, 0.0000179300000000 ] - [ -0.0004292300000000, 0.0002228300000000, 0.0000039500000000 ] - [ -0.0001911000000000, -0.0002894600000000, 0.0002114300000000 ] - [ -0.0005790900000000, -0.0007871800000000, -0.0000506000000000 ] - [ -0.0002855000000000, 0.0001177500000000, 0.0004796000000000 ] - [ -0.0002312500000000, 0.0000454800000000, 0.0005039900000000 ] - [ -0.0028205300000000, -0.0090070000000000, 0.0037874400000000 ] - [ 0.0006974200000000, -0.0000816800000000, -0.0002378500000000 ] - [ 0.0008080600000000, 0.0035158200000000, 0.0002561000000000 ] - [ 0.0007386100000000, 0.0006550400000000, 0.0004812400000000 ] - [ -0.0005381100000000, -0.0016509000000000, -0.0010986800000000 ] - [ -0.0002080300000000, -0.0001150200000000, -0.0004633400000000 ] - [ -0.0004331400000000, 0.0002226300000000, -0.0000275900000000 ] - [ -0.0006972800000000, 0.0000393800000000, 0.0000072200000000 ] - [ -0.0008305700000000, -0.0009662000000000, 0.0019936500000000 ] - [ -0.0004870700000000, -0.0003733200000000, 0.0000806500000000 ] - [ 0.0023505800000000, 0.0000491600000000, -0.0002945500000000 ] - [ 0.0003592800000000, 0.0006865300000000, 0.0002180700000000 ] - [ 0.0010822800000000, 0.0205242400000000, -0.0014445800000000 ] - [ 0.0004478200000000, 0.0004170100000000, -0.0000681000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001419000000000, -0.0010425200000000, -0.0013841000000000 ] - [ -0.0001220400000000, 0.0000010000000000, -0.0000655500000000 ] - [ 0.0019473900000000, 0.0054209400000000, -0.0010039800000000 ] - [ 0.0001719300000000, 0.0000916900000000, 0.0001672600000000 ] - [ -0.0000524800000000, -0.0012779900000000, 0.0001279800000000 ] - [ -0.0003259600000000, -0.0003584300000000, 0.0000161100000000 ] - [ 0.0002444300000000, 0.0001510100000000, -0.0000612900000000 ] - [ -0.0010897100000000, 0.0004284900000000, 0.0016015400000000 ] - [ 0.0044913400000000, -0.0080654500000000, 0.0103145000000000 ] - [ -0.0000906200000000, -0.0003289900000000, 0.0003362200000000 ] - [ 0.0005299800000000, 0.0038698300000000, 0.0000300600000000 ] - [ 0.0000491500000000, 0.0004224800000000, -0.0001641300000000 ] - [ 0.0003454800000000, -0.0021113700000000, 0.0000347000000000 ] - [ -0.0001955600000000, -0.0003727900000000, -0.0002359700000000 ] - [ 0.0004655500000000, -0.0000710700000000, -0.0001240200000000 ] - [ -0.0115947100000000, -0.0003153700000000, -0.0102415600000000 ] - [ 0.0091537900000000, 0.1683073200000000, -0.0052507800000000 ] - [ -0.0005354900000000, -0.0000558100000000, 0.0002025100000000 ] - [ 0.0004799500000000, -0.0005221400000000, -0.0002959200000000 ] - [ 0.0000978000000000, -0.0009688800000000, -0.0002965600000000 ] - [ 0.0034471000000000, 0.0015346500000000, -0.0004184200000000 ] - [ -0.0012246600000000, 0.0015418800000000, -0.0004142300000000 ] - [ 0.0006993300000000, 0.0001005300000000, 0.0012357100000000 ] - [ 0.0003548700000000, 0.0001577300000000, 0.0003292100000000 ] - [ -0.0175394800000000, -0.0232772400000000, -0.0058961000000000 ] - [ 0.0016217500000000, -0.0004662200000000, 0.0000747100000000 ] - [ -0.0026913600000000, 0.0028630400000000, -0.0021160600000000 ] - [ 0.0111330700000000, -0.0020517100000000, -0.0032902500000000 ] - [ -0.0009721000000000, 0.0007360400000000, 0.0003601600000000 ] - [ -0.0008629400000000, 0.0002302800000000, 0.0003359800000000 ] - [ -0.0002356400000000, 0.0002023000000000, 0.0001013100000000 ] - [ -0.0003271300000000, 0.0002811500000000, 0.0003431100000000 ] - [ 0.0003703200000000, 0.0004738700000000, -0.0004094800000000 ] - [ -0.0015948200000000, 0.0005568200000000, -0.0005141700000000 ] - [ 0.0010210700000000, -0.0013206300000000, -0.0005867800000000 ] - [ -0.0042795100000000, -0.0097665900000000, 0.0003279100000000 ] - [ -0.0001647900000000, -0.0005961100000000, -0.0009125800000000 ] - [ -0.0002893600000000, 0.0001767600000000, -0.0000147700000000 ] - [ 0.0176128600000000, -0.0372663600000000, 0.0151162600000000 ] - [ 0.0000295000000000, -0.0003625600000000, -0.0001458900000000 ] - [ -0.0037647300000000, 0.0170728300000000, -0.0001387300000000 ] - [ -0.0002221500000000, 0.0010183800000000, -0.0000485100000000 ] - [ 0.0008133600000000, -0.0007167200000000, 0.0005439900000000 ] - [ 0.0067449500000000, -0.0232799900000000, 0.0027164800000000 ] - [ 0.0085211000000000, 0.0012866100000000, 0.0012753500000000 ] - [ -0.0004041200000000, 0.0009464700000000, 0.0000851400000000 ] - [ -0.0068930200000000, 0.0024407700000000, -0.0061064300000000 ] - [ 0.0004879200000000, -0.0001742200000000, -0.0004615900000000 ] - [ 0.0007630300000000, -0.0002131800000000, 0.0007128500000000 ] - [ -0.0015438900000000, 0.0034297200000000, 0.0005589800000000 ] - [ -0.0002336300000000, -0.0002252700000000, -0.0001987700000000 ] - [ -0.0009036800000000, -0.0000209600000000, -0.0008401600000000 ] - [ -0.0005849200000000, -0.0000083000000000, 0.0001747000000000 ] - [ -0.0001783400000000, -0.0001684800000000, 0.0001600600000000 ] - [ -0.0000514300000000, -0.0016690800000000, 0.0004869600000000 ] - [ -0.0008066700000000, -0.0011134300000000, 0.0018881900000000 ] - [ -0.0012558900000000, -0.0000300100000000, 0.0009577000000000 ] - [ -0.0002668800000000, -0.0001331700000000, -0.0001887200000000 ] - [ -0.0000961400000000, 0.0000775500000000, -0.0000893900000000 ] - [ 0.0002016600000000, 0.0003365500000000, -0.0000708800000000 ] - [ 0.0095258300000000, -0.0495993200000000, -0.0157306000000000 ] - [ 0.0004095100000000, -0.0003724700000000, 0.0000052900000000 ] - [ -0.0008361000000000, 0.0000586400000000, 0.0000246400000000 ] - [ 0.0025226700000000, 0.0005637400000000, -0.0004393200000000 ] - [ 0.0002859100000000, -0.0011321300000000, -0.0003178500000000 ] - [ 0.0001374100000000, -0.0008009900000000, -0.0000501400000000 ] - [ -0.0010312900000000, 0.0009855700000000, -0.0000420200000000 ] - [ 0.0003007200000000, 0.0011800200000000, 0.0009342900000000 ] - [ 0.0026519200000000, 0.0035810700000000, 0.0056409400000000 ] - [ -0.0009143300000000, -0.0004161500000000, 0.0006497700000000 ] - [ 0.0002206500000000, -0.0006780700000000, -0.0006339600000000 ] - [ 0.0010016700000000, -0.0007843800000000, -0.0002760000000000 ] - [ -0.0262279400000000, -0.0442510100000000, 0.0158005500000000 ] - [ 0.0004718300000000, 0.0007795500000000, -0.0000140400000000 ] - [ -0.0006571500000000, 0.0011309200000000, -0.0004218500000000 ] - [ 0.0007390500000000, 0.0059979700000000, 0.0000462700000000 ] - [ -0.0007422300000000, 0.0011075000000000, 0.0000050600000000 ] - [ -0.0002780900000000, 0.0003561800000000, 0.0000200100000000 ] - [ -0.0009807700000000, -0.0012913400000000, -0.0001998100000000 ] - [ -0.0006007900000000, -0.0008023400000000, 0.0000547800000000 ] - [ -0.0001537000000000, -0.0000723400000000, 0.0005341000000000 ] - [ -0.0002127100000000, 0.0000010000000000, 0.0005094200000000 ] - [ 0.0039240800000000, 0.0092551500000000, -0.0041400500000000 ] - [ 0.0003974400000000, 0.0002993200000000, -0.0001027200000000 ] - [ 0.0006652800000000, -0.0024135600000000, 0.0005916400000000 ] - [ 0.0007294500000000, 0.0004527400000000, 0.0003709400000000 ] - [ 0.0000954900000000, 0.0016062500000000, 0.0000888000000000 ] - [ -0.0002348300000000, 0.0000719200000000, -0.0005506600000000 ] - [ -0.0005264600000000, 0.0004531000000000, 0.0000091500000000 ] - [ -0.0002611700000000, 0.0006364800000000, -0.0000271700000000 ] - [ -0.0001280700000000, 0.0002917000000000, -0.0019787700000000 ] - [ -0.0004726900000000, -0.0003022100000000, -0.0000654900000000 ] - [ -0.0013990300000000, -0.0007247300000000, 0.0002794700000000 ] - [ 0.0006030100000000, -0.0013707100000000, -0.0002316800000000 ] - [ -0.0000815400000000, -0.0198601300000000, 0.0009432400000000 ] - [ 0.0005102700000000, 0.0002573900000000, 0.0000839200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003331600000000, 0.0045833800000000, 0.0025010900000000 ] - [ 0.0000024600000000, 0.0000410600000000, -0.0000163500000000 ] - [ -0.0057518800000000, 0.0007656400000000, 0.0043758900000000 ] - [ 0.0004218900000000, -0.0000171300000000, 0.0001892000000000 ] - [ -0.0006124800000000, -0.0001711300000000, 0.0003932900000000 ] - [ 0.0002841700000000, -0.0001129500000000, 0.0001854300000000 ] - [ 0.0003816400000000, 0.0000250700000000, -0.0000618400000000 ] - [ -0.0048888500000000, -0.0034764300000000, 0.0036777100000000 ] - [ 0.0016123600000000, -0.0087603800000000, 0.0076302600000000 ] - [ 0.0001822200000000, -0.0002619300000000, 0.0003164800000000 ] - [ 0.0127940600000000, 0.0000865800000000, 0.0065931600000000 ] - [ -0.0004669500000000, 0.0003053700000000, 0.0001537000000000 ] - [ 0.0009077800000000, 0.0001723400000000, 0.0001573800000000 ] - [ -0.0006460200000000, 0.0001630700000000, 0.0000894400000000 ] - [ -0.0001882200000000, -0.0002095900000000, 0.0000686000000000 ] - [ 0.0078420800000000, 0.0082372800000000, 0.0074950900000000 ] - [ 0.0027911000000000, 0.0073006900000000, -0.1686256400000000 ] - [ -0.0002751000000000, -0.0001225800000000, 0.0000759300000000 ] - [ 0.0005190700000000, -0.0002167700000000, -0.0000340600000000 ] - [ 0.0003207700000000, -0.0002168800000000, 0.0010633700000000 ] - [ 0.0006053700000000, 0.0003359900000000, -0.0020457800000000 ] - [ -0.0008129000000000, 0.0003376600000000, -0.0020462400000000 ] - [ 0.0011127300000000, 0.0011594900000000, 0.0022442200000000 ] - [ 0.0003222300000000, 0.0002502400000000, 0.0005578400000000 ] - [ -0.0014323300000000, -0.0001682300000000, -0.0092205000000000 ] - [ 0.0020230300000000, -0.0003207600000000, -0.0008037300000000 ] - [ -0.0005815400000000, 0.0016044400000000, -0.0023882800000000 ] - [ -0.0029986800000000, -0.0009679000000000, -0.0140266800000000 ] - [ -0.0022596700000000, -0.0000957700000000, 0.0104081600000000 ] - [ -0.0005915700000000, 0.0000791600000000, 0.0005737000000000 ] - [ 0.0005121400000000, -0.0005802800000000, 0.0011313400000000 ] - [ -0.0012034800000000, 0.0006699000000000, 0.0027222500000000 ] - [ -0.0011833500000000, -0.0000501000000000, 0.0018365900000000 ] - [ -0.0003538400000000, -0.0004351700000000, 0.0010277600000000 ] - [ 0.0011814500000000, -0.0002174600000000, -0.0009251800000000 ] - [ 0.0014732200000000, 0.0010490100000000, -0.0057694000000000 ] - [ -0.0001779300000000, -0.0010422000000000, 0.0038865700000000 ] - [ 0.0000851500000000, 0.0002815200000000, 0.0003425700000000 ] - [ -0.0000537300000000, -0.0049770700000000, -0.0159350800000000 ] - [ 0.0003218600000000, -0.0004027400000000, -0.0005454800000000 ] - [ 0.0025720600000000, 0.0017045100000000, 0.0023970700000000 ] - [ -0.0005243800000000, 0.0011050100000000, 0.0001928800000000 ] - [ 0.0003338200000000, -0.0002656800000000, 0.0008825500000000 ] - [ 0.0128663400000000, -0.0020772000000000, 0.0301674300000000 ] - [ 0.0044263300000000, -0.0000162400000000, 0.0016555800000000 ] - [ -0.0026502500000000, 0.0016268400000000, 0.0016198400000000 ] - [ -0.0009602600000000, 0.0033125300000000, 0.0046856500000000 ] - [ 0.0004465200000000, 0.0001208400000000, -0.0001879500000000 ] - [ -0.0000699600000000, -0.0007079600000000, 0.0006442400000000 ] - [ 0.0021494100000000, -0.0011372700000000, 0.0048711800000000 ] - [ -0.0005112900000000, -0.0003111100000000, -0.0004457300000000 ] - [ -0.0009838500000000, -0.0005079900000000, -0.0016749500000000 ] - [ -0.0008533900000000, 0.0001614300000000, -0.0000565500000000 ] - [ 0.0007387100000000, -0.0004439100000000, -0.0037350800000000 ] - [ -0.0009203400000000, -0.0001985100000000, 0.0015681200000000 ] - [ 0.0009517700000000, -0.0004812800000000, 0.0045211600000000 ] - [ -0.0003990200000000, -0.0003321200000000, -0.0018439800000000 ] - [ -0.0008242200000000, -0.0001188900000000, -0.0004714300000000 ] - [ 0.0002987300000000, 0.0007759500000000, -0.0007782000000000 ] - [ 0.0001145000000000, 0.0009127800000000, -0.0010029800000000 ] - [ -0.0029987700000000, 0.0147235100000000, 0.0305719200000000 ] - [ 0.0002627400000000, -0.0002858800000000, 0.0001408400000000 ] - [ -0.0001556200000000, -0.0005562900000000, 0.0004820100000000 ] - [ 0.0013722900000000, -0.0004045500000000, 0.0013922800000000 ] - [ -0.0000809100000000, 0.0004607700000000, -0.0045901800000000 ] - [ -0.0000098900000000, -0.0007004800000000, -0.0001813200000000 ] - [ -0.0006459000000000, 0.0008547800000000, -0.0005742100000000 ] - [ -0.0013257900000000, 0.0005528400000000, -0.0013512900000000 ] - [ -0.0024732700000000, -0.0029697800000000, 0.0056898100000000 ] - [ -0.0006904000000000, -0.0005395600000000, 0.0009951900000000 ] - [ -0.0001274000000000, 0.0003691000000000, -0.0020023500000000 ] - [ 0.0011222100000000, -0.0004527000000000, -0.0011309800000000 ] - [ -0.0153227300000000, -0.0176447600000000, 0.0300015300000000 ] - [ 0.0001320800000000, 0.0006711800000000, 0.0001103600000000 ] - [ -0.0006410300000000, 0.0006613100000000, -0.0002371700000000 ] - [ -0.0019579200000000, 0.0002377200000000, 0.0018308000000000 ] - [ -0.0004173300000000, 0.0000806100000000, -0.0012106200000000 ] - [ -0.0003132600000000, 0.0002742400000000, -0.0001298800000000 ] - [ -0.0008024900000000, -0.0015854100000000, -0.0051043400000000 ] - [ -0.0006434600000000, -0.0008156700000000, -0.0000708000000000 ] - [ -0.0010081900000000, -0.0003152200000000, -0.0005001200000000 ] - [ 0.0000477900000000, -0.0001042300000000, -0.0000400100000000 ] - [ -0.0004082300000000, -0.0005129600000000, 0.0052512200000000 ] - [ 0.0003017700000000, 0.0001298900000000, 0.0000139300000000 ] - [ 0.0007006500000000, 0.0005437300000000, -0.0071031000000000 ] - [ 0.0006463000000000, 0.0005662600000000, 0.0002435100000000 ] - [ 0.0003481500000000, 0.0006134200000000, -0.0027486600000000 ] - [ -0.0003420500000000, -0.0000406500000000, -0.0006387800000000 ] - [ -0.0007176700000000, 0.0003612700000000, -0.0001658400000000 ] - [ -0.0001186300000000, 0.0003661300000000, -0.0009620700000000 ] - [ -0.0000128300000000, -0.0002210500000000, -0.0018090200000000 ] - [ -0.0005835400000000, -0.0003402500000000, -0.0001972100000000 ] - [ 0.0011806200000000, -0.0005043600000000, 0.0008086400000000 ] - [ -0.0005751700000000, -0.0008539600000000, 0.0008411400000000 ] - [ -0.0012436400000000, -0.0006727500000000, 0.0719621700000000 ] - [ 0.0004151900000000, 0.0003075300000000, 0.0001510000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001602600000000, -0.0044651800000000, -0.0024231900000000 ] - [ -0.0001747300000000, 0.0000502600000000, 0.0000812600000000 ] - [ 0.0060081400000000, -0.0008702600000000, -0.0043234200000000 ] - [ -0.0002488500000000, -0.0000761100000000, -0.0001173200000000 ] - [ 0.0004366500000000, 0.0000780600000000, -0.0004522200000000 ] - [ -0.0004563100000000, 0.0000186200000000, -0.0002483700000000 ] - [ -0.0002063300000000, 0.0000683200000000, -0.0000072800000000 ] - [ 0.0050324000000000, 0.0035457100000000, -0.0037228100000000 ] - [ -0.0015104700000000, 0.0083998100000000, -0.0073774700000000 ] - [ -0.0000672500000000, -0.0002212700000000, -0.0000545500000000 ] - [ -0.0128434500000000, 0.0003917200000000, -0.0063042300000000 ] - [ 0.0003488100000000, 0.0001789700000000, 0.0001002200000000 ] - [ -0.0007879500000000, 0.0003128600000000, -0.0004204300000000 ] - [ 0.0007564600000000, 0.0003195500000000, -0.0003527300000000 ] - [ 0.0000727600000000, -0.0002738200000000, -0.0003221900000000 ] - [ -0.0080579000000000, -0.0088348400000000, -0.0077563700000000 ] - [ -0.0036129500000000, -0.0074682800000000, 0.1629491800000000 ] - [ -0.0004769100000000, -0.0003176500000000, 0.0005228700000000 ] - [ 0.0002340200000000, -0.0002253000000000, -0.0005657200000000 ] - [ 0.0004282100000000, -0.0002235500000000, -0.0016614800000000 ] - [ -0.0013598300000000, 0.0001097200000000, 0.0014361000000000 ] - [ 0.0000652900000000, 0.0001039700000000, 0.0014356900000000 ] - [ -0.0003518900000000, -0.0007116300000000, -0.0016391000000000 ] - [ 0.0004256500000000, 0.0001922900000000, 0.0000442400000000 ] - [ 0.0031307000000000, -0.0001232600000000, 0.0097311200000000 ] - [ -0.0002486500000000, 0.0000737500000000, 0.0014199300000000 ] - [ 0.0008344100000000, -0.0011130800000000, 0.0023110000000000 ] - [ 0.0033697800000000, 0.0014082300000000, 0.0138264000000000 ] - [ 0.0005031500000000, 0.0003406900000000, -0.0098277000000000 ] - [ -0.0011707600000000, 0.0001650500000000, 0.0000524900000000 ] - [ -0.0007691500000000, 0.0000960300000000, -0.0011915800000000 ] - [ 0.0009124000000000, -0.0011453400000000, -0.0027767300000000 ] - [ -0.0005685400000000, -0.0001945400000000, -0.0024564100000000 ] - [ -0.0014167900000000, 0.0001881600000000, -0.0016498500000000 ] - [ 0.0005795500000000, 0.0004593000000000, 0.0002984200000000 ] - [ 0.0003009700000000, -0.0007986200000000, 0.0051171700000000 ] - [ -0.0000782800000000, 0.0015095700000000, -0.0038129400000000 ] - [ -0.0003527900000000, 0.0002023000000000, -0.0002790000000000 ] - [ 0.0002766500000000, 0.0045801600000000, 0.0158473200000000 ] - [ -0.0000564200000000, -0.0000836200000000, 0.0006057000000000 ] - [ -0.0027546500000000, -0.0002096900000000, -0.0025025100000000 ] - [ 0.0003103100000000, 0.0003896000000000, -0.0003226400000000 ] - [ 0.0001182600000000, 0.0002181000000000, 0.0001331800000000 ] - [ -0.0128915600000000, 0.0021509300000000, -0.0291822200000000 ] - [ -0.0032874400000000, -0.0002029600000000, -0.0013009000000000 ] - [ 0.0037075100000000, -0.0018219600000000, -0.0012649900000000 ] - [ 0.0014044800000000, -0.0032525200000000, -0.0056632600000000 ] - [ 0.0000022500000000, -0.0000737100000000, -0.0008243600000000 ] - [ -0.0001367200000000, -0.0007794900000000, -0.0005076500000000 ] - [ -0.0023509800000000, -0.0003568500000000, -0.0047093300000000 ] - [ -0.0001968600000000, -0.0002615800000000, 0.0004175200000000 ] - [ 0.0002845800000000, -0.0000700100000000, 0.0016444200000000 ] - [ -0.0002453600000000, 0.0000538800000000, 0.0003982600000000 ] - [ -0.0018170700000000, 0.0006510400000000, 0.0040791700000000 ] - [ 0.0016237900000000, 0.0007682300000000, -0.0015831100000000 ] - [ -0.0002398300000000, 0.0010497200000000, -0.0045223300000000 ] - [ -0.0007068600000000, 0.0001214300000000, 0.0015000700000000 ] - [ -0.0002679600000000, -0.0000947000000000, 0.0001277200000000 ] - [ -0.0000932500000000, 0.0007119000000000, 0.0009081000000000 ] - [ 0.0001026500000000, 0.0005785500000000, 0.0011290900000000 ] - [ 0.0038190000000000, -0.0157310800000000, -0.0305086500000000 ] - [ 0.0004435800000000, -0.0002868800000000, -0.0001152200000000 ] - [ 0.0013280500000000, -0.0010273100000000, -0.0004810700000000 ] - [ -0.0001989300000000, -0.0011787900000000, -0.0013853200000000 ] - [ 0.0002840100000000, -0.0019379200000000, 0.0044631800000000 ] - [ 0.0002196400000000, -0.0007894000000000, 0.0000499400000000 ] - [ -0.0005316100000000, 0.0007297500000000, 0.0005684600000000 ] - [ 0.0001570200000000, 0.0010306100000000, 0.0013464700000000 ] - [ 0.0009854600000000, 0.0018414300000000, -0.0048107000000000 ] - [ -0.0007802500000000, -0.0005687600000000, -0.0001407000000000 ] - [ 0.0015912100000000, -0.0014742100000000, 0.0011528600000000 ] - [ 0.0003521800000000, -0.0006540700000000, 0.0002861900000000 ] - [ 0.0167204800000000, 0.0194882400000000, -0.0298129700000000 ] - [ 0.0010366800000000, 0.0009100700000000, -0.0001082400000000 ] - [ -0.0008264000000000, 0.0004482600000000, -0.0006135300000000 ] - [ 0.0004795000000000, 0.0008706700000000, -0.0026839500000000 ] - [ -0.0002913800000000, 0.0004922200000000, 0.0012344400000000 ] - [ -0.0003899400000000, 0.0002974900000000, 0.0001540400000000 ] - [ -0.0003792600000000, -0.0000022700000000, 0.0051140200000000 ] - [ -0.0005283100000000, -0.0007662500000000, 0.0000729300000000 ] - [ 0.0005525900000000, 0.0003599100000000, 0.0015131200000000 ] - [ -0.0004896700000000, 0.0001478600000000, 0.0010556400000000 ] - [ 0.0014983800000000, 0.0007329300000000, -0.0055665400000000 ] - [ 0.0007943600000000, 0.0000861000000000, -0.0003529800000000 ] - [ 0.0007794200000000, 0.0005642400000000, 0.0080208000000000 ] - [ 0.0008241000000000, 0.0005428500000000, 0.0006016500000000 ] - [ -0.0007956300000000, -0.0006538700000000, 0.0017273300000000 ] - [ -0.0001067700000000, -0.0000046200000000, -0.0003771700000000 ] - [ -0.0002418400000000, 0.0003150000000000, 0.0001463900000000 ] - [ -0.0008362600000000, 0.0003096000000000, 0.0009416500000000 ] - [ -0.0009501900000000, -0.0004602400000000, 0.0018216900000000 ] - [ -0.0003733800000000, -0.0003365100000000, 0.0002140700000000 ] - [ -0.0002168400000000, -0.0001714100000000, -0.0008292400000000 ] - [ 0.0015278400000000, 0.0001729700000000, -0.0008614800000000 ] - [ 0.0023749100000000, 0.0011191700000000, -0.0656990100000000 ] - [ 0.0005429000000000, 0.0003675400000000, -0.0001283700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005350700000000, -0.0003117700000000, -0.0046475000000000 ] - [ 0.0021712500000000, 0.0001417600000000, 0.0014287000000000 ] - [ -0.0091057100000000, -0.0006739400000000, 0.0010299400000000 ] - [ 0.0023193700000000, -0.0000736300000000, -0.0001214000000000 ] - [ -0.0031762800000000, 0.0073733300000000, -0.0088171300000000 ] - [ 0.0022375800000000, -0.0000656900000000, 0.0003178400000000 ] - [ 0.0009819700000000, -0.0004123200000000, 0.0018297400000000 ] - [ 0.0014714100000000, 0.0001249800000000, -0.0014371500000000 ] - [ 0.0104649000000000, -0.0039639100000000, 0.0172749700000000 ] - [ 0.0055545500000000, -0.0000302600000000, -0.0030352300000000 ] - [ -0.0106737700000000, -0.0006171300000000, 0.0005259500000000 ] - [ 0.0042628800000000, 0.0000621800000000, 0.0001335400000000 ] - [ -0.0051985300000000, 0.0025367700000000, 0.0060779300000000 ] - [ 0.0040921000000000, 0.0003161700000000, -0.0009560400000000 ] - [ 0.0013067800000000, -0.0011244200000000, -0.0036822600000000 ] - [ 0.0030465500000000, 0.0005264400000000, 0.0030633800000000 ] - [ 0.0168601000000000, 0.0181986500000000, -0.0020284000000000 ] - [ 0.0060562100000000, -0.0009594800000000, 0.0014312900000000 ] - [ 0.0008751400000000, 0.0010297300000000, -0.0006063500000000 ] - [ 0.0012640700000000, -0.0009355100000000, 0.0002332100000000 ] - [ -0.0098586300000000, -0.0049139100000000, -0.0008996300000000 ] - [ 0.0039846200000000, 0.0003612300000000, -0.0006024800000000 ] - [ -0.0030657000000000, 0.0003134900000000, 0.0016865700000000 ] - [ 0.0031725200000000, 0.0002043900000000, 0.0000106100000000 ] - [ -0.4272725300000000, -0.0285128900000000, -0.0374547100000000 ] - [ 0.0089571000000000, -0.0004313100000000, 0.0007968500000000 ] - [ 0.0524308100000000, -0.0271030800000000, 0.0218800700000000 ] - [ 0.0106819100000000, 0.0004309400000000, -0.0013924600000000 ] - [ -0.0030485700000000, -0.0006234400000000, 0.0038720600000000 ] - [ 0.0019756400000000, 0.0000205200000000, -0.0009516100000000 ] - [ -0.0033189300000000, -0.0011259200000000, -0.0028327200000000 ] - [ 0.0039454800000000, 0.0006990200000000, 0.0013072300000000 ] - [ -0.0071660600000000, -0.0015777200000000, -0.0003868000000000 ] - [ 0.0037923300000000, 0.0002018300000000, 0.0000976000000000 ] - [ 0.0111485400000000, 0.0108790500000000, 0.0016297500000000 ] - [ 0.0110983100000000, -0.0026139500000000, -0.0023163000000000 ] - [ -0.0059450900000000, 0.0005446700000000, 0.0013582200000000 ] - [ 0.0046010800000000, 0.0003125700000000, -0.0002508900000000 ] - [ -0.0066837500000000, -0.0155781000000000, -0.0075208400000000 ] - [ 0.0081862900000000, -0.0002365000000000, 0.0004216700000000 ] - [ 0.0419777900000000, -0.0271860400000000, 0.0126599000000000 ] - [ -0.0035357500000000, 0.0018160200000000, 0.0000028700000000 ] - [ -0.0119633100000000, 0.0058653500000000, 0.0011980800000000 ] - [ -0.0079033000000000, -0.0015821100000000, 0.0002593300000000 ] - [ 0.1589575000000000, -0.0331330200000000, -0.0615584600000000 ] - [ -0.0057884800000000, 0.0011268200000000, 0.0000158900000000 ] - [ 0.0102543600000000, 0.0037359700000000, 0.0040550300000000 ] - [ -0.0044466300000000, -0.0006131900000000, -0.0011402800000000 ] - [ -0.0108383500000000, -0.0059959200000000, -0.0073219400000000 ] - [ -0.0046567200000000, -0.0011729300000000, 0.0009811200000000 ] - [ -0.0004721600000000, -0.0003271500000000, 0.0030513800000000 ] - [ -0.0032695600000000, -0.0006683000000000, -0.0022411900000000 ] - [ -0.0010352100000000, 0.0005852300000000, -0.0001380300000000 ] - [ -0.0015276700000000, 0.0002681300000000, -0.0001653700000000 ] - [ 0.0014041700000000, 0.0126510000000000, -0.0107427800000000 ] - [ -0.0036747100000000, -0.0006370100000000, 0.0014128400000000 ] - [ 0.0043430900000000, 0.0007580800000000, -0.0010990500000000 ] - [ -0.0041014400000000, -0.0007802300000000, -0.0001104800000000 ] - [ 0.0022494400000000, 0.0022584000000000, 0.0018095900000000 ] - [ -0.0018696500000000, 0.0000744700000000, -0.0003122900000000 ] - [ 0.0003182900000000, -0.0080125900000000, -0.0001711200000000 ] - [ -0.0035674600000000, 0.0006889800000000, -0.0002281800000000 ] - [ 0.0016255400000000, -0.0033760100000000, -0.0020680800000000 ] - [ -0.0039145000000000, 0.0006190300000000, 0.0013723800000000 ] - [ 0.0019170000000000, -0.0013576600000000, -0.0003682600000000 ] - [ -0.0015544800000000, -0.0002212000000000, -0.0000538500000000 ] - [ 0.0013268900000000, 0.0000077100000000, 0.0013658100000000 ] - [ -0.0029712300000000, 0.0013934100000000, -0.0010988800000000 ] - [ 0.0423513600000000, 0.0016381800000000, 0.0115798200000000 ] - [ -0.0039740300000000, -0.0005590500000000, 0.0000183200000000 ] - [ 0.0034809800000000, -0.0000370700000000, -0.0009089000000000 ] - [ -0.0012832700000000, -0.0004785300000000, -0.0005359000000000 ] - [ 0.1436320100000000, 0.1010851600000000, 0.0635716700000000 ] - [ -0.0046763800000000, -0.0006135100000000, -0.0005324500000000 ] - [ -0.0060249300000000, -0.0035421600000000, 0.0014419100000000 ] - [ -0.0049424500000000, 0.0027272600000000, -0.0010203100000000 ] - [ 0.0027662900000000, -0.0004621000000000, -0.0012043700000000 ] - [ -0.0027489200000000, 0.0005902100000000, 0.0004194200000000 ] - [ 0.0025811000000000, 0.0002620300000000, -0.0013845200000000 ] - [ -0.0030604800000000, -0.0013760300000000, 0.0004771300000000 ] - [ 0.0034353300000000, -0.0005247600000000, 0.0008740100000000 ] - [ -0.0031512100000000, 0.0002293800000000, 0.0000494900000000 ] - [ -0.0011631500000000, 0.0035825700000000, 0.0019368600000000 ] - [ -0.0050169300000000, -0.0021340300000000, -0.0006493400000000 ] - [ 0.0005998500000000, -0.0009493900000000, -0.0043580800000000 ] - [ -0.0010396800000000, 0.0007615400000000, 0.0021464900000000 ] - [ 0.0012163100000000, 0.0011410900000000, -0.0031628200000000 ] - [ -0.0023233300000000, -0.0006142500000000, 0.0008177500000000 ] - [ -0.0003466500000000, -0.0000789400000000, -0.0006318000000000 ] - [ -0.0011389000000000, 0.0004769000000000, 0.0002074300000000 ] - [ 0.0042508900000000, 0.0000771700000000, -0.0021961800000000 ] - [ -0.0023361100000000, -0.0003774800000000, 0.0004320900000000 ] - [ 0.0044906500000000, 0.0027059400000000, 0.0007843400000000 ] - [ -0.0019833200000000, -0.0004504500000000, 0.0000649400000000 ] - [ -0.0004920100000000, -0.0029602100000000, 0.0071432400000000 ] - [ -0.0022773100000000, 0.0007024700000000, -0.0012134600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003568300000000, 0.0004076900000000, 0.0047644700000000 ] - [ -0.0023391900000000, -0.0000503700000000, -0.0013519900000000 ] - [ 0.0092734300000000, 0.0005917700000000, -0.0009438200000000 ] - [ -0.0021470800000000, -0.0000212100000000, 0.0001887000000000 ] - [ 0.0029597300000000, -0.0074506600000000, 0.0087115900000000 ] - [ -0.0024138100000000, -0.0000279300000000, -0.0003931000000000 ] - [ -0.0008075400000000, 0.0005057600000000, -0.0018906800000000 ] - [ -0.0012981000000000, -0.0000292800000000, 0.0013767700000000 ] - [ -0.0103393800000000, 0.0034589300000000, -0.0171140100000000 ] - [ -0.0054470100000000, -0.0004605200000000, 0.0032875300000000 ] - [ 0.0105473900000000, 0.0011179900000000, -0.0003131200000000 ] - [ -0.0043799400000000, 0.0004204700000000, 0.0001301900000000 ] - [ 0.0052735000000000, -0.0020374400000000, -0.0063206900000000 ] - [ -0.0039806300000000, 0.0001674900000000, 0.0007074800000000 ] - [ -0.0014355500000000, 0.0006540300000000, 0.0034178000000000 ] - [ -0.0031359600000000, -0.0010002600000000, -0.0033290600000000 ] - [ -0.0176084900000000, -0.0187957600000000, 0.0025353300000000 ] - [ -0.0068161500000000, 0.0005164700000000, -0.0008379200000000 ] - [ -0.0001327500000000, -0.0014700700000000, 0.0000067000000000 ] - [ -0.0005024000000000, 0.0004958000000000, -0.0008302500000000 ] - [ 0.0090481900000000, 0.0053441100000000, 0.0002714400000000 ] - [ -0.0047408200000000, 0.0000824900000000, -0.0000020700000000 ] - [ 0.0038165300000000, 0.0001281000000000, -0.0010742000000000 ] - [ -0.0024214200000000, 0.0002356700000000, 0.0005909900000000 ] - [ 0.4232233800000000, 0.0376202100000000, 0.0483842300000000 ] - [ -0.0072033200000000, 0.0001839900000000, -0.0001753700000000 ] - [ -0.0517560200000000, 0.0273111200000000, -0.0220824500000000 ] - [ -0.0104370400000000, 0.0000323200000000, 0.0013175500000000 ] - [ 0.0013066200000000, 0.0008701900000000, -0.0032365700000000 ] - [ -0.0037430200000000, 0.0002253700000000, 0.0015773100000000 ] - [ 0.0030297300000000, 0.0006397900000000, 0.0027778400000000 ] - [ -0.0042018300000000, -0.0011855700000000, -0.0013683500000000 ] - [ 0.0053915200000000, 0.0013348000000000, -0.0002329100000000 ] - [ -0.0055482700000000, -0.0004468200000000, -0.0007171800000000 ] - [ -0.0093488700000000, -0.0105786700000000, -0.0022685900000000 ] - [ -0.0093992400000000, 0.0028887300000000, 0.0016804200000000 ] - [ 0.0056964600000000, -0.0000635600000000, -0.0012849400000000 ] - [ -0.0048715100000000, 0.0001722600000000, 0.0003155400000000 ] - [ 0.0071666800000000, 0.0150963500000000, 0.0075055000000000 ] - [ -0.0079146900000000, -0.0002398300000000, -0.0003668500000000 ] - [ -0.0417673900000000, 0.0282736000000000, -0.0127441000000000 ] - [ 0.0033222800000000, -0.0003264400000000, -0.0001271900000000 ] - [ 0.0124755300000000, -0.0059361400000000, -0.0001549100000000 ] - [ 0.0083405100000000, 0.0015696800000000, 0.0007750700000000 ] - [ -0.1485701000000000, 0.0298040100000000, 0.0573118800000000 ] - [ 0.0068939600000000, -0.0013426000000000, 0.0003297300000000 ] - [ -0.0098041400000000, -0.0036585300000000, -0.0050311100000000 ] - [ 0.0048856400000000, 0.0006527000000000, 0.0001251400000000 ] - [ 0.0105850400000000, 0.0045026000000000, 0.0074469600000000 ] - [ 0.0044689200000000, -0.0003120000000000, -0.0008524100000000 ] - [ -0.0002273200000000, -0.0002496800000000, -0.0030759300000000 ] - [ 0.0025547500000000, 0.0000885200000000, 0.0022178900000000 ] - [ -0.0000524000000000, -0.0003700500000000, 0.0004745400000000 ] - [ 0.0004182200000000, -0.0000479400000000, 0.0005024800000000 ] - [ -0.0006822400000000, -0.0120227300000000, 0.0107018900000000 ] - [ 0.0043870500000000, 0.0012224400000000, -0.0014381900000000 ] - [ -0.0054407000000000, -0.0009733900000000, 0.0007462200000000 ] - [ 0.0030032500000000, 0.0005637000000000, -0.0002322600000000 ] - [ -0.0020267600000000, -0.0007683700000000, -0.0016879500000000 ] - [ 0.0020790300000000, 0.0014135500000000, 0.0004392700000000 ] - [ 0.0003299100000000, 0.0074332300000000, 0.0002248400000000 ] - [ 0.0042822600000000, -0.0012771600000000, 0.0002589900000000 ] - [ -0.0004354700000000, 0.0017602200000000, 0.0020573900000000 ] - [ 0.0051072900000000, -0.0022168100000000, -0.0013785400000000 ] - [ -0.0017113500000000, -0.0001323300000000, 0.0002367900000000 ] - [ 0.0017699400000000, -0.0012694600000000, -0.0000747900000000 ] - [ -0.0024964500000000, 0.0015802400000000, -0.0013672700000000 ] - [ 0.0017857100000000, 0.0001979100000000, 0.0010963300000000 ] - [ -0.0439763600000000, -0.0028068400000000, -0.0124717600000000 ] - [ 0.0025072700000000, -0.0005473800000000, 0.0008289400000000 ] - [ -0.0020009200000000, -0.0010724900000000, 0.0000641600000000 ] - [ 0.0027513200000000, -0.0006296800000000, -0.0003153200000000 ] - [ -0.1466357700000000, -0.1049102900000000, -0.0672642800000000 ] - [ 0.0058610800000000, 0.0022080700000000, 0.0005383000000000 ] - [ 0.0045440500000000, 0.0046394100000000, -0.0022729400000000 ] - [ 0.0034803200000000, -0.0016378600000000, 0.0001955500000000 ] - [ -0.0034815900000000, 0.0010479900000000, 0.0012291100000000 ] - [ 0.0020411500000000, -0.0000095700000000, -0.0003965600000000 ] - [ -0.0037725500000000, -0.0018573500000000, 0.0013871900000000 ] - [ 0.0018829900000000, -0.0002146800000000, -0.0004767200000000 ] - [ -0.0038597000000000, 0.0005645700000000, 0.0001445700000000 ] - [ 0.0027106300000000, -0.0001866300000000, 0.0009632400000000 ] - [ 0.0022203100000000, -0.0034447400000000, -0.0022513900000000 ] - [ 0.0061035200000000, 0.0023415800000000, 0.0003091500000000 ] - [ 0.0008522400000000, 0.0020542600000000, 0.0051940300000000 ] - [ 0.0025136400000000, 0.0003466600000000, -0.0012984200000000 ] - [ -0.0016681800000000, -0.0011835900000000, 0.0021436400000000 ] - [ 0.0018906200000000, 0.0005731900000000, -0.0018327500000000 ] - [ -0.0006042800000000, 0.0007534500000000, 0.0006061500000000 ] - [ 0.0001763000000000, 0.0001981300000000, -0.0002354200000000 ] - [ -0.0052115700000000, -0.0007538200000000, 0.0021956500000000 ] - [ 0.0013774700000000, -0.0002982800000000, -0.0004105700000000 ] - [ -0.0035104500000000, -0.0033798700000000, -0.0007975900000000 ] - [ 0.0029427600000000, -0.0002256300000000, -0.0000828900000000 ] - [ 0.0014346700000000, 0.0036546500000000, -0.0071238100000000 ] - [ 0.0032360700000000, -0.0000259600000000, 0.0012366800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003108800000000, -0.0021601800000000, 0.0005644000000000 ] - [ -0.0003023200000000, -0.0001471100000000, -0.0002020800000000 ] - [ -0.0003033600000000, 0.0083591100000000, 0.0066383900000000 ] - [ 0.0000197100000000, 0.0000342300000000, 0.0000942800000000 ] - [ 0.0077298700000000, -0.0026985200000000, -0.0071998000000000 ] - [ -0.0004483100000000, -0.0002540900000000, -0.0002332500000000 ] - [ 0.0000542200000000, 0.0008037100000000, -0.0003489900000000 ] - [ -0.0000989600000000, 0.0014333700000000, 0.0001730400000000 ] - [ 0.0009908900000000, -0.0130108200000000, 0.0029788100000000 ] - [ -0.0006479800000000, -0.0008328800000000, 0.0007495800000000 ] - [ -0.0004831900000000, 0.0063833500000000, -0.0094214500000000 ] - [ -0.0002396600000000, 0.0003773700000000, -0.0000387600000000 ] - [ 0.0030467500000000, -0.0008019900000000, 0.0063559100000000 ] - [ -0.0007157800000000, -0.0001234800000000, 0.0002257600000000 ] - [ 0.0008971900000000, 0.0009159300000000, 0.0001812100000000 ] - [ -0.0015330400000000, 0.0030819100000000, -0.0010367900000000 ] - [ 0.0160760200000000, 0.0229740800000000, 0.0002394500000000 ] - [ -0.0016335000000000, 0.0001213200000000, 0.0000996000000000 ] - [ 0.0008358300000000, -0.0008204600000000, -0.0003707300000000 ] - [ -0.0004396900000000, -0.0008987500000000, 0.0000144300000000 ] - [ 0.0053057800000000, 0.0101053200000000, 0.0006189700000000 ] - [ -0.0010287500000000, 0.0016665900000000, -0.0006406200000000 ] - [ 0.0004870800000000, -0.0003914600000000, 0.0005239800000000 ] - [ 0.0002951600000000, 0.0001133500000000, 0.0003433500000000 ] - [ -0.0282862700000000, -0.4123580900000000, -0.0184844500000000 ] - [ 0.0005746300000000, -0.0005922300000000, 0.0000764000000000 ] - [ -0.0210237700000000, 0.0064716800000000, -0.0054019100000000 ] - [ 0.0033261300000000, -0.0026269600000000, -0.0027952100000000 ] - [ -0.0016281800000000, 0.0009257400000000, 0.0019766900000000 ] - [ -0.0009805100000000, 0.0002999600000000, 0.0003956600000000 ] - [ 0.0003240000000000, -0.0005853900000000, 0.0006350500000000 ] - [ 0.0001574900000000, -0.0002738300000000, 0.0003358500000000 ] - [ 0.0005753900000000, 0.0018393700000000, -0.0004943600000000 ] - [ -0.0012026100000000, 0.0003762500000000, -0.0002309900000000 ] - [ 0.0036410900000000, -0.0051225700000000, -0.0009326500000000 ] - [ -0.0098688600000000, -0.0051111000000000, -0.0022957200000000 ] - [ -0.0009332900000000, 0.0009234400000000, -0.0014092900000000 ] - [ -0.0002222100000000, 0.0003255900000000, 0.0000175600000000 ] - [ -0.0274524200000000, 0.0626825400000000, 0.0219919900000000 ] - [ -0.0002175100000000, 0.0000322200000000, -0.0003507100000000 ] - [ -0.0240180900000000, 0.1583072000000000, -0.0618310600000000 ] - [ -0.0000082900000000, 0.0008971100000000, 0.0000079000000000 ] - [ 0.0026318100000000, -0.0018712800000000, -0.0001470200000000 ] - [ -0.0070149300000000, -0.0029112900000000, 0.0003872100000000 ] - [ -0.0322403500000000, 0.0413591600000000, 0.0163725900000000 ] - [ 0.0002566100000000, 0.0007032400000000, 0.0003729900000000 ] - [ -0.0038292400000000, -0.0154032900000000, -0.0094678100000000 ] - [ 0.0008110900000000, -0.0002531500000000, -0.0004112500000000 ] - [ 0.0032346700000000, 0.0026500600000000, 0.0032903900000000 ] - [ 0.0006871900000000, 0.0028797100000000, 0.0005832600000000 ] - [ -0.0005037600000000, 0.0002623800000000, -0.0005408500000000 ] - [ -0.0010354600000000, 0.0001740600000000, -0.0007360300000000 ] - [ -0.0006085700000000, 0.0000851600000000, 0.0002979400000000 ] - [ -0.0006663900000000, 0.0001477900000000, -0.0001363300000000 ] - [ 0.0029327400000000, -0.0053118700000000, 0.0026862000000000 ] - [ -0.0004164700000000, -0.0000954300000000, 0.0007884800000000 ] - [ -0.0009674100000000, -0.0015938300000000, 0.0013285900000000 ] - [ -0.0003646500000000, -0.0001667300000000, -0.0002025000000000 ] - [ 0.0000414700000000, -0.0002549400000000, -0.0009564900000000 ] - [ -0.0000063200000000, 0.0004977000000000, -0.0000672200000000 ] - [ 0.0056019700000000, -0.0195440700000000, 0.0002333200000000 ] - [ 0.0007493400000000, -0.0007279300000000, 0.0000325100000000 ] - [ -0.0036757200000000, -0.0017395400000000, -0.0008869600000000 ] - [ 0.0039481000000000, -0.0015857900000000, -0.0001575100000000 ] - [ 0.0007414800000000, -0.0019617100000000, -0.0004343100000000 ] - [ 0.0001462900000000, -0.0009026400000000, -0.0000685700000000 ] - [ -0.0014990800000000, 0.0004898300000000, 0.0004252100000000 ] - [ -0.0001245900000000, 0.0005642800000000, 0.0001419800000000 ] - [ 0.0011569400000000, 0.0413806000000000, 0.0036386000000000 ] - [ -0.0005313800000000, -0.0003079000000000, 0.0005934300000000 ] - [ -0.0001305300000000, -0.0012058100000000, -0.0007019700000000 ] - [ 0.0009319200000000, -0.0008251600000000, -0.0004850400000000 ] - [ 0.0959260000000000, 0.1259489100000000, 0.0559589200000000 ] - [ 0.0011072000000000, 0.0010306700000000, 0.0000208700000000 ] - [ -0.0009545400000000, 0.0027886500000000, -0.0004595500000000 ] - [ 0.0029645900000000, 0.0024069000000000, 0.0013729000000000 ] - [ -0.0006858200000000, 0.0010443400000000, -0.0000837400000000 ] - [ -0.0002377800000000, 0.0003384700000000, -0.0000408200000000 ] - [ -0.0001355100000000, -0.0003747400000000, -0.0002813800000000 ] - [ -0.0004891300000000, -0.0007611200000000, 0.0000284200000000 ] - [ -0.0008082200000000, 0.0004504500000000, 0.0000585700000000 ] - [ -0.0002262400000000, 0.0001394600000000, 0.0003475000000000 ] - [ 0.0145765200000000, -0.0018370300000000, -0.0069489500000000 ] - [ 0.0001140600000000, 0.0006797700000000, -0.0000899700000000 ] - [ -0.0001419400000000, -0.0010104500000000, -0.0018461500000000 ] - [ 0.0008350600000000, 0.0004061300000000, 0.0002021400000000 ] - [ 0.0011298000000000, 0.0007437300000000, 0.0004982000000000 ] - [ -0.0003713200000000, 0.0000841100000000, -0.0006100200000000 ] - [ -0.0006903600000000, 0.0005783800000000, -0.0000220600000000 ] - [ 0.0000085700000000, 0.0005700700000000, -0.0004573300000000 ] - [ -0.0000484200000000, 0.0026119000000000, -0.0002980200000000 ] - [ -0.0004136800000000, -0.0002778500000000, -0.0000483000000000 ] - [ -0.0017002300000000, -0.0056762500000000, 0.0002396100000000 ] - [ 0.0005426900000000, -0.0009916300000000, 0.0001082700000000 ] - [ -0.0018379800000000, -0.0042441800000000, 0.0048303100000000 ] - [ 0.0009701000000000, 0.0001788400000000, 0.0002282400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001458700000000, 0.0022454800000000, -0.0005067600000000 ] - [ 0.0001285500000000, 0.0002385700000000, 0.0002682300000000 ] - [ 0.0004648200000000, -0.0084726500000000, -0.0066490300000000 ] - [ 0.0001497200000000, -0.0001253800000000, -0.0000288500000000 ] - [ -0.0078932700000000, 0.0025584300000000, 0.0071069800000000 ] - [ 0.0002789500000000, 0.0001613400000000, 0.0001655000000000 ] - [ 0.0001310000000000, -0.0007126200000000, 0.0002926700000000 ] - [ 0.0002639300000000, -0.0013371200000000, -0.0002359600000000 ] - [ -0.0008356400000000, 0.0124984400000000, -0.0026774900000000 ] - [ 0.0007554100000000, 0.0003472100000000, -0.0004891100000000 ] - [ 0.0003650300000000, -0.0058941600000000, 0.0098304300000000 ] - [ 0.0001280500000000, 0.0001071200000000, 0.0002974300000000 ] - [ -0.0029102600000000, 0.0012411200000000, -0.0065661800000000 ] - [ 0.0008297000000000, 0.0006044900000000, -0.0004807300000000 ] - [ -0.0009978500000000, -0.0013950300000000, -0.0004464900000000 ] - [ 0.0014181200000000, -0.0035588500000000, 0.0007737200000000 ] - [ -0.0169941300000000, -0.0234049500000000, 0.0002851800000000 ] - [ 0.0008811200000000, -0.0005607200000000, 0.0004951400000000 ] - [ -0.0000834400000000, 0.0003727600000000, -0.0002273700000000 ] - [ 0.0011934000000000, 0.0004532500000000, -0.0006101600000000 ] - [ -0.0060016500000000, -0.0096759800000000, -0.0012294500000000 ] - [ 0.0002760100000000, -0.0012182000000000, 0.0000355500000000 ] - [ 0.0002625800000000, 0.0008328300000000, 0.0000879400000000 ] - [ 0.0004585000000000, 0.0003279100000000, 0.0002584700000000 ] - [ 0.0378375300000000, 0.4041049100000000, 0.0288452900000000 ] - [ 0.0011906400000000, 0.0003440400000000, 0.0005452300000000 ] - [ 0.0213025000000000, -0.0057686100000000, 0.0052491400000000 ] - [ -0.0030490200000000, 0.0031055800000000, 0.0027153500000000 ] - [ -0.0001358400000000, -0.0006736300000000, -0.0013350800000000 ] - [ -0.0007763300000000, -0.0000535400000000, 0.0002309600000000 ] - [ -0.0005924300000000, 0.0001125000000000, -0.0006866300000000 ] - [ -0.0004195300000000, -0.0002049700000000, -0.0003916100000000 ] - [ -0.0023380600000000, -0.0020818400000000, -0.0001170400000000 ] - [ -0.0005549600000000, -0.0006205300000000, -0.0003903200000000 ] - [ -0.0018605900000000, 0.0052998000000000, 0.0002910700000000 ] - [ 0.0115891700000000, 0.0053107400000000, 0.0016329100000000 ] - [ 0.0006580200000000, -0.0004504700000000, 0.0014853700000000 ] - [ -0.0000402500000000, 0.0001571000000000, 0.0000466400000000 ] - [ 0.0274264600000000, -0.0627341600000000, -0.0220933300000000 ] - [ 0.0004887600000000, -0.0005152200000000, 0.0004088900000000 ] - [ 0.0212181600000000, -0.1470683700000000, 0.0569600300000000 ] - [ -0.0002055900000000, 0.0005950600000000, -0.0001336200000000 ] - [ -0.0021604200000000, 0.0017838700000000, 0.0011809300000000 ] - [ 0.0074086500000000, 0.0028528300000000, 0.0006482600000000 ] - [ 0.0333055200000000, -0.0411624900000000, -0.0161304300000000 ] - [ 0.0008340500000000, -0.0009167500000000, -0.0000278700000000 ] - [ 0.0042868700000000, 0.0154173800000000, 0.0084286100000000 ] - [ -0.0003694300000000, 0.0002943200000000, -0.0006031000000000 ] - [ -0.0034092700000000, -0.0041266900000000, -0.0031316900000000 ] - [ -0.0008998700000000, -0.0043578200000000, -0.0004483900000000 ] - [ -0.0002005100000000, -0.0008399000000000, 0.0005059000000000 ] - [ 0.0003172600000000, -0.0007523500000000, 0.0007024600000000 ] - [ -0.0004894500000000, 0.0001275600000000, 0.0000402000000000 ] - [ -0.0004294700000000, 0.0000665600000000, 0.0004741500000000 ] - [ -0.0023146100000000, 0.0058345500000000, -0.0027009300000000 ] - [ 0.0011214900000000, 0.0006708000000000, -0.0008052400000000 ] - [ -0.0001222400000000, 0.0013808200000000, -0.0016736400000000 ] - [ -0.0007345300000000, -0.0000498300000000, -0.0001412000000000 ] - [ 0.0001691700000000, 0.0017351700000000, 0.0010819700000000 ] - [ 0.0002150700000000, 0.0009902600000000, 0.0001942900000000 ] - [ -0.0048942900000000, 0.0190533000000000, -0.0001683300000000 ] - [ -0.0000397000000000, 0.0001462000000000, -0.0000048400000000 ] - [ 0.0048048800000000, 0.0001783400000000, 0.0008785700000000 ] - [ -0.0027541900000000, -0.0000023400000000, 0.0001574200000000 ] - [ -0.0005263800000000, 0.0004700500000000, 0.0002947000000000 ] - [ 0.0000625800000000, -0.0005871000000000, -0.0000615700000000 ] - [ 0.0003195400000000, 0.0011015500000000, -0.0004292800000000 ] - [ -0.0010547200000000, 0.0010240000000000, -0.0001457800000000 ] - [ -0.0027504400000000, -0.0424837200000000, -0.0045636200000000 ] - [ -0.0009393200000000, -0.0007989800000000, 0.0002548000000000 ] - [ 0.0015984400000000, 0.0001016700000000, -0.0001650200000000 ] - [ 0.0005370100000000, -0.0002834800000000, -0.0003649700000000 ] - [ -0.0994380700000000, -0.1269611200000000, -0.0588900000000000 ] - [ 0.0000696300000000, 0.0005552300000000, -0.0000172900000000 ] - [ -0.0005147800000000, -0.0016583100000000, -0.0003858900000000 ] - [ -0.0044373600000000, -0.0012825500000000, -0.0022068000000000 ] - [ -0.0000207400000000, -0.0004550400000000, 0.0001041600000000 ] - [ -0.0004719900000000, 0.0002404600000000, 0.0000656100000000 ] - [ -0.0010387200000000, -0.0012217000000000, 0.0002759300000000 ] - [ -0.0006905400000000, -0.0008273300000000, -0.0000253400000000 ] - [ 0.0003704400000000, -0.0004116700000000, 0.0009537800000000 ] - [ -0.0002192300000000, -0.0000958500000000, 0.0006655700000000 ] - [ -0.0133977600000000, 0.0020693000000000, 0.0066004100000000 ] - [ 0.0009726000000000, -0.0004556000000000, -0.0002504200000000 ] - [ 0.0016104600000000, 0.0021059600000000, 0.0026814800000000 ] - [ 0.0006348000000000, 0.0007003500000000, 0.0006453400000000 ] - [ -0.0015695500000000, -0.0007761600000000, -0.0015228000000000 ] - [ -0.0000718400000000, -0.0001256900000000, -0.0004053800000000 ] - [ -0.0002679200000000, 0.0001006400000000, -0.0000011100000000 ] - [ -0.0009658600000000, 0.0001072300000000, 0.0004331700000000 ] - [ -0.0009075100000000, -0.0032845100000000, 0.0002993800000000 ] - [ -0.0005447600000000, -0.0003984300000000, 0.0000666100000000 ] - [ 0.0026355200000000, 0.0050011900000000, -0.0002375500000000 ] - [ 0.0004123400000000, 0.0003144000000000, -0.0001268000000000 ] - [ 0.0028234600000000, 0.0049065200000000, -0.0048063800000000 ] - [ -0.0000175300000000, 0.0004932400000000, -0.0002049300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0082099500000000, 0.0010372400000000, 0.0047652100000000 ] - [ 0.0005441900000000, -0.0000403900000000, -0.0001373000000000 ] - [ 0.0001812400000000, 0.0066845400000000, 0.0054202400000000 ] - [ 0.0002328200000000, -0.0000314700000000, 0.0001871300000000 ] - [ -0.0081492500000000, -0.0066888000000000, 0.0088903600000000 ] - [ 0.0003074700000000, -0.0000744800000000, 0.0001562200000000 ] - [ 0.0012431500000000, 0.0001901400000000, -0.0000039100000000 ] - [ -0.0007901700000000, -0.0000832000000000, -0.0000506300000000 ] - [ 0.0132740900000000, -0.0007724700000000, 0.0109397100000000 ] - [ -0.0007433800000000, -0.0003543100000000, 0.0010488500000000 ] - [ 0.0015775500000000, -0.0202936400000000, 0.0119309200000000 ] - [ 0.0002451500000000, 0.0002454300000000, -0.0001329200000000 ] - [ 0.0114126300000000, 0.0150305100000000, 0.0136080100000000 ] - [ -0.0001368900000000, 0.0002520800000000, -0.0003055400000000 ] - [ -0.0009186500000000, 0.0000018900000000, 0.0008922700000000 ] - [ 0.0015504700000000, 0.0000866800000000, 0.0014589100000000 ] - [ 0.0057170600000000, 0.0059529300000000, -0.0091936600000000 ] - [ -0.0012179800000000, 0.0000137100000000, -0.0008147100000000 ] - [ 0.0006403400000000, -0.0003160900000000, 0.0018438400000000 ] - [ 0.0003908500000000, -0.0004223200000000, 0.0010381900000000 ] - [ -0.0014199900000000, -0.0004250800000000, -0.0057502300000000 ] - [ -0.0001876100000000, 0.0004954900000000, -0.0009121900000000 ] - [ -0.0004783300000000, 0.0002739900000000, 0.0103708400000000 ] - [ 0.0006226500000000, 0.0002454000000000, 0.0005607100000000 ] - [ -0.0423162100000000, -0.0237282700000000, -0.5448760100000000 ] - [ 0.0013659400000000, -0.0003575700000000, -0.0002953200000000 ] - [ -0.0026876600000000, 0.0055036200000000, -0.0235222200000000 ] - [ 0.0019288000000000, -0.0013402500000000, -0.0036266100000000 ] - [ -0.0044410300000000, -0.0015361500000000, 0.0059962300000000 ] - [ 0.0003859300000000, 0.0000397800000000, 0.0013911300000000 ] - [ 0.0031218900000000, -0.0015998300000000, 0.0063269700000000 ] - [ -0.0005197000000000, 0.0006446400000000, 0.0017425600000000 ] - [ -0.0009532000000000, 0.0000638800000000, 0.0067404700000000 ] - [ -0.0004754900000000, -0.0002026300000000, 0.0002667600000000 ] - [ 0.0028649100000000, -0.0018450200000000, -0.0057462300000000 ] - [ -0.0010641800000000, -0.0004968500000000, -0.0057476200000000 ] - [ -0.0024564500000000, 0.0018470200000000, 0.0069374900000000 ] - [ 0.0005108800000000, 0.0001667800000000, 0.0006582700000000 ] - [ 0.0024329700000000, -0.0020196700000000, -0.0259690100000000 ] - [ 0.0006337500000000, -0.0000004500000000, -0.0009359700000000 ] - [ 0.0100092000000000, -0.0516903200000000, 0.0657823200000000 ] - [ -0.0003137500000000, 0.0008752000000000, 0.0002048000000000 ] - [ 0.0043143300000000, -0.0025248600000000, 0.0023932800000000 ] - [ -0.0049712300000000, -0.0011015500000000, 0.0017189900000000 ] - [ -0.0505131900000000, 0.0127127000000000, 0.0659644300000000 ] - [ -0.0001529600000000, 0.0002600400000000, 0.0007050500000000 ] - [ 0.0027920200000000, 0.0019533000000000, 0.0105579700000000 ] - [ 0.0000537000000000, -0.0000875000000000, -0.0002229500000000 ] - [ 0.0005740100000000, 0.0010533000000000, 0.0080593100000000 ] - [ 0.0009580500000000, -0.0001576400000000, 0.0021364000000000 ] - [ -0.0006794300000000, -0.0005740000000000, -0.0029427500000000 ] - [ -0.0014538900000000, -0.0004874300000000, -0.0017194000000000 ] - [ -0.0020277300000000, 0.0004051100000000, -0.0009738100000000 ] - [ 0.0009189900000000, 0.0000501000000000, -0.0011780700000000 ] - [ -0.0046677800000000, 0.0006157000000000, 0.0095284800000000 ] - [ -0.0000109800000000, 0.0002067100000000, 0.0010382500000000 ] - [ -0.0001875900000000, -0.0005033600000000, -0.0037438600000000 ] - [ -0.0009207200000000, -0.0001677600000000, -0.0004067200000000 ] - [ 0.0003473700000000, 0.0007758100000000, -0.0035381900000000 ] - [ 0.0000425000000000, 0.0007065900000000, -0.0004526100000000 ] - [ -0.0028853200000000, -0.0006725900000000, 0.0031648000000000 ] - [ 0.0006579700000000, -0.0005841600000000, 0.0003463200000000 ] - [ -0.0024493700000000, -0.0017254400000000, 0.0037174400000000 ] - [ 0.0012087400000000, -0.0008020900000000, 0.0008639200000000 ] - [ 0.0013475700000000, -0.0005494200000000, -0.0022628900000000 ] - [ -0.0004042600000000, -0.0006232600000000, -0.0004182200000000 ] - [ -0.0007219400000000, 0.0012980100000000, -0.0025905500000000 ] - [ -0.0009357300000000, 0.0008167400000000, -0.0006783800000000 ] - [ 0.0079935300000000, 0.0028914900000000, 0.3149368500000000 ] - [ -0.0008884100000000, -0.0004706000000000, 0.0007935200000000 ] - [ -0.0009523500000000, -0.0012719000000000, -0.0055975500000000 ] - [ 0.0007537700000000, -0.0005596300000000, -0.0006158200000000 ] - [ 0.0661459700000000, 0.0604186200000000, 0.0804087800000000 ] - [ 0.0007722700000000, 0.0009111800000000, 0.0001742100000000 ] - [ 0.0010412700000000, 0.0017404300000000, 0.0011668500000000 ] - [ -0.0028748100000000, 0.0017075400000000, 0.0017222000000000 ] - [ 0.0019619600000000, -0.0017733700000000, -0.0073559000000000 ] - [ -0.0006243600000000, 0.0003302300000000, -0.0001214400000000 ] - [ 0.0022291500000000, 0.0005646400000000, -0.0067274100000000 ] - [ -0.0010919600000000, -0.0008838100000000, -0.0001190000000000 ] - [ -0.0025215900000000, 0.0013323800000000, -0.0073159900000000 ] - [ -0.0003193600000000, -0.0000529200000000, 0.0001363100000000 ] - [ 0.0011879600000000, -0.0035606200000000, 0.0087185200000000 ] - [ -0.0004818600000000, 0.0000914100000000, 0.0006392600000000 ] - [ 0.0006382400000000, -0.0003104000000000, -0.0037266400000000 ] - [ 0.0006579900000000, 0.0005549800000000, -0.0004178000000000 ] - [ 0.0004856100000000, 0.0009557200000000, -0.0038937000000000 ] - [ -0.0004736600000000, -0.0000201800000000, -0.0011743000000000 ] - [ -0.0024995300000000, 0.0004135400000000, -0.0017396500000000 ] - [ 0.0002172200000000, 0.0001634400000000, -0.0008474800000000 ] - [ -0.0005751500000000, -0.0002826200000000, -0.0097504300000000 ] - [ -0.0005750500000000, -0.0003366400000000, -0.0002155500000000 ] - [ 0.0021829500000000, -0.0002789300000000, 0.0023272300000000 ] - [ 0.0000141400000000, -0.0004487000000000, 0.0002540000000000 ] - [ 0.0034495500000000, 0.0022766200000000, 0.0075593700000000 ] - [ 0.0001992900000000, 0.0002733700000000, 0.0005769900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0080015300000000, -0.0009401900000000, -0.0046653900000000 ] - [ -0.0007152700000000, 0.0001306300000000, 0.0002008500000000 ] - [ -0.0000077300000000, -0.0068633000000000, -0.0053562500000000 ] - [ -0.0000628000000000, -0.0000609500000000, -0.0001166900000000 ] - [ 0.0080989800000000, 0.0067025200000000, -0.0090169900000000 ] - [ -0.0004809300000000, -0.0000171100000000, -0.0002224900000000 ] - [ -0.0010684400000000, -0.0000991000000000, -0.0000672400000000 ] - [ 0.0009609200000000, 0.0001750800000000, -0.0000198500000000 ] - [ -0.0133087000000000, 0.0002967100000000, -0.0106969400000000 ] - [ 0.0008563900000000, -0.0001305900000000, -0.0007781800000000 ] - [ -0.0016778100000000, 0.0207277800000000, -0.0116203300000000 ] - [ -0.0003610700000000, 0.0002375700000000, 0.0003874400000000 ] - [ -0.0112766700000000, -0.0145361400000000, -0.0138233800000000 ] - [ 0.0002476600000000, 0.0002304900000000, 0.0000432700000000 ] - [ 0.0008067500000000, -0.0004815300000000, -0.0011361200000000 ] - [ -0.0016635000000000, -0.0005694600000000, -0.0016997600000000 ] - [ -0.0064672600000000, -0.0064020700000000, 0.0097567600000000 ] - [ 0.0004562800000000, -0.0004535100000000, 0.0014081600000000 ] - [ 0.0001175400000000, -0.0001218700000000, -0.0024480500000000 ] - [ 0.0003512400000000, -0.0000178800000000, -0.0016384000000000 ] - [ 0.0006595100000000, 0.0008569400000000, 0.0051372900000000 ] - [ -0.0005647000000000, -0.0000534300000000, 0.0003127100000000 ] - [ 0.0012402600000000, 0.0001638500000000, -0.0098660700000000 ] - [ 0.0001261600000000, 0.0001961500000000, 0.0000382800000000 ] - [ 0.0435994500000000, 0.0236768200000000, 0.5247674300000000 ] - [ 0.0003903200000000, 0.0001094200000000, 0.0009193300000000 ] - [ 0.0028794600000000, -0.0049804500000000, 0.0233791600000000 ] - [ -0.0016574300000000, 0.0018192400000000, 0.0035564800000000 ] - [ 0.0026697700000000, 0.0017764600000000, -0.0053784400000000 ] - [ -0.0021408100000000, 0.0002057600000000, -0.0007630600000000 ] - [ -0.0033696600000000, 0.0011173700000000, -0.0064081800000000 ] - [ 0.0002421700000000, -0.0011271300000000, -0.0018065100000000 ] - [ -0.0007960800000000, -0.0003153200000000, -0.0073799400000000 ] - [ -0.0012888300000000, -0.0000448500000000, -0.0008942400000000 ] - [ -0.0011338800000000, 0.0020847400000000, 0.0051109000000000 ] - [ 0.0028325000000000, 0.0007289300000000, 0.0051087900000000 ] - [ 0.0021841100000000, -0.0013517700000000, -0.0068876800000000 ] - [ -0.0007780400000000, 0.0003127800000000, -0.0005970000000000 ] - [ -0.0021215300000000, 0.0014679800000000, 0.0259426400000000 ] - [ -0.0003732200000000, -0.0004792500000000, 0.0009970900000000 ] - [ -0.0104935000000000, 0.0544085200000000, -0.0658209700000000 ] - [ 0.0001039200000000, 0.0006164000000000, -0.0003386900000000 ] - [ -0.0038133900000000, 0.0024485500000000, -0.0013807800000000 ] - [ 0.0053906100000000, 0.0010530300000000, -0.0007085100000000 ] - [ 0.0527866900000000, -0.0132623000000000, -0.0655072800000000 ] - [ 0.0012512200000000, -0.0004750800000000, -0.0003689800000000 ] - [ -0.0023376900000000, -0.0019058300000000, -0.0115376400000000 ] - [ 0.0003991100000000, 0.0001344100000000, -0.0007867800000000 ] - [ -0.0007741000000000, -0.0025381600000000, -0.0078964900000000 ] - [ -0.0011721400000000, -0.0013326600000000, -0.0019952400000000 ] - [ -0.0000365100000000, 0.0000036900000000, 0.0029251300000000 ] - [ 0.0007594700000000, -0.0000813700000000, 0.0016986400000000 ] - [ 0.0009238800000000, -0.0001877000000000, 0.0013128200000000 ] - [ -0.0020091800000000, 0.0001640900000000, 0.0015155500000000 ] - [ 0.0053535500000000, -0.0000438900000000, -0.0095144400000000 ] - [ 0.0007134100000000, 0.0003632700000000, -0.0010576800000000 ] - [ -0.0009150200000000, 0.0002825200000000, 0.0034154600000000 ] - [ -0.0001754900000000, -0.0000469200000000, 0.0000709000000000 ] - [ -0.0001462500000000, 0.0007211900000000, 0.0036846100000000 ] - [ 0.0001724800000000, 0.0007869700000000, 0.0005868800000000 ] - [ 0.0035505900000000, 0.0001307000000000, -0.0031385500000000 ] - [ 0.0000510100000000, 0.0000106900000000, -0.0003222700000000 ] - [ 0.0036286800000000, 0.0001469000000000, -0.0037120600000000 ] - [ -0.0000328200000000, -0.0007828800000000, -0.0008656700000000 ] - [ -0.0011359200000000, -0.0009422800000000, 0.0021327100000000 ] - [ 0.0006142400000000, -0.0008677200000000, 0.0002830700000000 ] - [ -0.0004615000000000, 0.0002854100000000, 0.0025884000000000 ] - [ -0.0002326800000000, 0.0007659400000000, 0.0006733300000000 ] - [ -0.0084125200000000, -0.0037437600000000, -0.2939414400000000 ] - [ -0.0005772900000000, -0.0006369900000000, 0.0000578800000000 ] - [ 0.0024158000000000, 0.0001704200000000, 0.0047579900000000 ] - [ 0.0007162400000000, -0.0005483600000000, -0.0002332400000000 ] - [ -0.0664100200000000, -0.0601330800000000, -0.0801211200000000 ] - [ 0.0004061600000000, 0.0006754400000000, -0.0001715900000000 ] - [ -0.0025009400000000, -0.0006263500000000, -0.0020287600000000 ] - [ 0.0014034500000000, -0.0006012200000000, -0.0025815600000000 ] - [ -0.0026693800000000, 0.0023395100000000, 0.0074067200000000 ] - [ -0.0000772700000000, 0.0002401300000000, 0.0001465600000000 ] - [ -0.0033998200000000, -0.0021425300000000, 0.0067517300000000 ] - [ -0.0000822600000000, -0.0007014700000000, 0.0001234000000000 ] - [ 0.0020699900000000, -0.0012877700000000, 0.0083628700000000 ] - [ -0.0001272100000000, 0.0000999500000000, 0.0008783600000000 ] - [ -0.0000856700000000, 0.0037586100000000, -0.0090148800000000 ] - [ 0.0015850900000000, 0.0001254300000000, -0.0009729000000000 ] - [ 0.0008433300000000, 0.0014302600000000, 0.0045802000000000 ] - [ 0.0008089300000000, 0.0005542600000000, 0.0012619600000000 ] - [ -0.0009242000000000, -0.0010097100000000, 0.0028853800000000 ] - [ 0.0000202400000000, -0.0000275200000000, 0.0001610500000000 ] - [ 0.0015405300000000, 0.0002619600000000, 0.0017374100000000 ] - [ -0.0011735000000000, 0.0005126400000000, 0.0008424900000000 ] - [ -0.0003721600000000, -0.0003928900000000, 0.0098805400000000 ] - [ -0.0003835000000000, -0.0003407600000000, 0.0002220900000000 ] - [ -0.0012170600000000, -0.0003966900000000, -0.0023435600000000 ] - [ 0.0009464800000000, -0.0002279200000000, -0.0002627300000000 ] - [ -0.0024757800000000, -0.0015805200000000, -0.0075340400000000 ] - [ 0.0007630800000000, 0.0004020600000000, -0.0005656700000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026593000000000, -0.0002223500000000, -0.0013569800000000 ] - [ 0.0017812800000000, 0.0018670700000000, 0.0039475300000000 ] - [ 0.0020547500000000, 0.0033982600000000, 0.0046364700000000 ] - [ 0.0026435500000000, -0.0004195400000000, -0.0012435100000000 ] - [ -0.0042828500000000, -0.0041997100000000, 0.0046076900000000 ] - [ 0.0021829400000000, 0.0001114600000000, -0.0003655600000000 ] - [ -0.0054303600000000, -0.0009009000000000, 0.0016088900000000 ] - [ 0.0022299600000000, 0.0000920400000000, -0.0003846900000000 ] - [ 0.0056462800000000, -0.0011288000000000, 0.0032874100000000 ] - [ 0.0033844100000000, 0.0072569400000000, -0.0116643500000000 ] - [ 0.0053147000000000, 0.0051035800000000, -0.0106278900000000 ] - [ 0.0056221000000000, -0.0002554200000000, 0.0026778800000000 ] - [ -0.0096712000000000, -0.0018240800000000, -0.0026478000000000 ] - [ 0.0041711500000000, 0.0005911800000000, 0.0005918800000000 ] - [ -0.0071617600000000, -0.0100314700000000, -0.0087425600000000 ] - [ 0.0043453900000000, 0.0000908800000000, 0.0009008800000000 ] - [ 0.0061197900000000, 0.0025979200000000, -0.0004068500000000 ] - [ 0.0299065800000000, -0.0113131200000000, -0.0029580900000000 ] - [ -0.0031397900000000, -0.0002510200000000, -0.0003511700000000 ] - [ 0.0030717200000000, -0.0003767400000000, -0.0000812600000000 ] - [ -0.0041211900000000, 0.0175959700000000, -0.0001288100000000 ] - [ 0.0040986000000000, 0.0001150000000000, -0.0004907100000000 ] - [ -0.0010109500000000, 0.0004174100000000, 0.0013638500000000 ] - [ 0.0026615600000000, 0.0003232500000000, -0.0003392300000000 ] - [ 0.0528240400000000, -0.0211344300000000, -0.0026006200000000 ] - [ 0.0114534300000000, 0.0030838600000000, 0.0021084500000000 ] - [ -0.4594870100000000, -0.0021486600000000, 0.0665458000000000 ] - [ 0.0090705800000000, -0.0001558100000000, -0.0002369200000000 ] - [ 0.0031963000000000, 0.0004090900000000, 0.0006942100000000 ] - [ -0.0040675000000000, 0.0005805300000000, -0.0029227100000000 ] - [ -0.0097747100000000, -0.0004551600000000, -0.0007191500000000 ] - [ 0.0056232700000000, -0.0000977300000000, 0.0002997600000000 ] - [ -0.0066918200000000, 0.0006748700000000, -0.0026323800000000 ] - [ 0.0038517200000000, -0.0000327000000000, 0.0003341800000000 ] - [ -0.0061196600000000, 0.0275525800000000, -0.0025735800000000 ] - [ 0.0089295900000000, 0.0004769200000000, -0.0008184500000000 ] - [ 0.0010937000000000, -0.0005090900000000, -0.0004420000000000 ] - [ 0.0019627700000000, 0.0002028800000000, -0.0002901300000000 ] - [ 0.0058059600000000, -0.0049900200000000, -0.0032390400000000 ] - [ 0.0057849000000000, -0.0038358100000000, 0.0027001200000000 ] - [ -0.0083100800000000, 0.0103646200000000, -0.0002480600000000 ] - [ -0.0028672700000000, 0.0009168200000000, -0.0001935900000000 ] - [ 0.1565261100000000, -0.0594412100000000, -0.0982670100000000 ] - [ -0.0057861200000000, 0.0002361600000000, 0.0009554300000000 ] - [ 0.1154586600000000, -0.0476728300000000, 0.0648839300000000 ] - [ -0.0065346900000000, 0.0007605900000000, -0.0000210000000000 ] - [ 0.0008104600000000, -0.0009115200000000, 0.0009991300000000 ] - [ -0.0045673600000000, 0.0002269900000000, -0.0018316900000000 ] - [ 0.0597889000000000, 0.0436837600000000, 0.0364994500000000 ] - [ -0.0037631700000000, -0.0017598500000000, -0.0000074800000000 ] - [ 0.0051360700000000, -0.0000184100000000, 0.0013241200000000 ] - [ -0.0032625500000000, -0.0006833900000000, -0.0008745000000000 ] - [ 0.0046788100000000, -0.0003996100000000, 0.0001582100000000 ] - [ -0.0041780300000000, 0.0007201800000000, 0.0001659200000000 ] - [ 0.0763657500000000, 0.0646765100000000, -0.0563423100000000 ] - [ -0.0034882700000000, -0.0001868600000000, 0.0006848300000000 ] - [ 0.0010940500000000, 0.0003248900000000, -0.0006194300000000 ] - [ -0.0032812400000000, -0.0004798300000000, 0.0002651900000000 ] - [ 0.0041348900000000, 0.0009448400000000, -0.0002000800000000 ] - [ -0.0022573000000000, 0.0001173000000000, 0.0001253800000000 ] - [ -0.0028927000000000, -0.0000326800000000, -0.0005799900000000 ] - [ -0.0058224400000000, 0.0059977200000000, 0.0009034100000000 ] - [ 0.0126419700000000, -0.0156948500000000, -0.0010780700000000 ] - [ -0.0039074100000000, 0.0003813400000000, 0.0007523500000000 ] - [ -0.0009421800000000, -0.0007504500000000, 0.0002995100000000 ] - [ 0.0002191200000000, -0.0001868300000000, 0.0001772600000000 ] - [ 0.0048256400000000, 0.0000807600000000, 0.0019062100000000 ] - [ -0.0036255400000000, 0.0015416300000000, -0.0007385700000000 ] - [ -0.0090995100000000, 0.0050871000000000, 0.0121365900000000 ] - [ -0.0046208400000000, -0.0016180400000000, -0.0012518900000000 ] - [ 0.0032299100000000, -0.0021196800000000, 0.0029172200000000 ] - [ -0.0015167300000000, -0.0003160500000000, -0.0012527400000000 ] - [ -0.0125732400000000, -0.0014282600000000, -0.0022129500000000 ] - [ -0.0099910000000000, -0.0027560500000000, 0.0009703900000000 ] - [ 0.0056861400000000, -0.0053338900000000, 0.0030088100000000 ] - [ -0.0041651100000000, 0.0007482100000000, -0.0003367900000000 ] - [ -0.0003124300000000, 0.0011312300000000, 0.0008400100000000 ] - [ -0.0017040700000000, 0.0002017900000000, -0.0000088100000000 ] - [ -0.0021398400000000, -0.0012492200000000, 0.0014688100000000 ] - [ -0.0013107100000000, -0.0012118500000000, -0.0001966500000000 ] - [ 0.0041771500000000, 0.0000758700000000, 0.0028266800000000 ] - [ -0.0033728200000000, 0.0003357500000000, -0.0002653000000000 ] - [ -0.0053778100000000, 0.0000243900000000, 0.0006304300000000 ] - [ 0.0003163300000000, -0.0014910300000000, -0.0008091200000000 ] - [ -0.0012658500000000, -0.0000160000000000, -0.0004570000000000 ] - [ 0.0000283400000000, 0.0010205300000000, 0.0060018200000000 ] - [ -0.0022961900000000, 0.0001343100000000, -0.0009670400000000 ] - [ 0.0005327200000000, -0.0000937100000000, 0.0016901300000000 ] - [ 0.0018270400000000, -0.0003919300000000, -0.0010477300000000 ] - [ -0.0022092200000000, 0.0004136300000000, -0.0001168300000000 ] - [ -0.0009178300000000, -0.0001272400000000, -0.0028722900000000 ] - [ -0.0022341300000000, -0.0005545600000000, 0.0011655500000000 ] - [ 0.0075389800000000, -0.0043287100000000, -0.0038701000000000 ] - [ -0.0020816900000000, -0.0002890000000000, 0.0003843300000000 ] - [ -0.0021381600000000, -0.0005458700000000, 0.0008183500000000 ] - [ -0.0067350600000000, 0.0036833700000000, -0.0063330100000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028469600000000, 0.0003173200000000, 0.0014391200000000 ] - [ -0.0019702000000000, -0.0017527600000000, -0.0038600200000000 ] - [ -0.0018786800000000, -0.0034977100000000, -0.0045895400000000 ] - [ -0.0024762900000000, 0.0003215900000000, 0.0013055100000000 ] - [ 0.0041190800000000, 0.0041055600000000, -0.0046726400000000 ] - [ -0.0023556900000000, -0.0002023400000000, 0.0002943300000000 ] - [ 0.0055772600000000, 0.0009875100000000, -0.0016762600000000 ] - [ -0.0020547100000000, 0.0000018800000000, 0.0003177500000000 ] - [ -0.0055264000000000, 0.0006512100000000, -0.0030409400000000 ] - [ -0.0032980100000000, -0.0077348100000000, 0.0118750100000000 ] - [ -0.0054054400000000, -0.0046734900000000, 0.0109510000000000 ] - [ -0.0057138900000000, 0.0007367000000000, -0.0023954200000000 ] - [ 0.0098507600000000, 0.0023263100000000, 0.0023901800000000 ] - [ -0.0040592000000000, -0.0001059100000000, -0.0008417300000000 ] - [ 0.0070304800000000, 0.0095773500000000, 0.0084937600000000 ] - [ -0.0044594100000000, -0.0005761900000000, -0.0011652000000000 ] - [ -0.0068831400000000, -0.0030556900000000, 0.0010085400000000 ] - [ -0.0304075900000000, 0.0106751800000000, 0.0034114800000000 ] - [ 0.0038851000000000, -0.0001926200000000, -0.0002520000000000 ] - [ -0.0023182700000000, -0.0000632500000000, -0.0005184100000000 ] - [ 0.0034728400000000, -0.0171796600000000, -0.0004577000000000 ] - [ -0.0048504500000000, 0.0003250500000000, -0.0001122400000000 ] - [ 0.0017767500000000, 0.0000232500000000, -0.0007530100000000 ] - [ -0.0019170000000000, 0.0001199900000000, 0.0009421800000000 ] - [ -0.0513633000000000, 0.0211947000000000, 0.0029635500000000 ] - [ -0.0096662300000000, -0.0032911300000000, -0.0014790700000000 ] - [ 0.4592910300000000, 0.0028166000000000, -0.0580780200000000 ] - [ -0.0088034900000000, 0.0006374300000000, 0.0001750900000000 ] - [ -0.0049510300000000, -0.0001676500000000, -0.0000693200000000 ] - [ 0.0022822900000000, -0.0003355600000000, 0.0035679500000000 ] - [ 0.0095175400000000, -0.0000293100000000, 0.0006650100000000 ] - [ -0.0058911900000000, -0.0003869600000000, -0.0003614000000000 ] - [ 0.0049506300000000, -0.0009164500000000, 0.0020097000000000 ] - [ -0.0056207900000000, -0.0002147800000000, -0.0009533300000000 ] - [ 0.0077302700000000, -0.0273239300000000, 0.0019826800000000 ] - [ -0.0071725800000000, -0.0002289300000000, 0.0001895300000000 ] - [ -0.0013426300000000, 0.0009960700000000, 0.0005108200000000 ] - [ -0.0022503400000000, 0.0002784400000000, 0.0003590300000000 ] - [ -0.0055252000000000, 0.0045151800000000, 0.0032893800000000 ] - [ -0.0055445200000000, 0.0033314800000000, -0.0026366500000000 ] - [ 0.0080534900000000, -0.0088479300000000, 0.0001546400000000 ] - [ 0.0026646800000000, 0.0005590300000000, 0.0000669300000000 ] - [ -0.1509621000000000, 0.0559184200000000, 0.0934073600000000 ] - [ 0.0062281500000000, -0.0002739400000000, 0.0000642100000000 ] - [ -0.1191169100000000, 0.0508833500000000, -0.0688553700000000 ] - [ 0.0076260000000000, -0.0009804500000000, 0.0003622100000000 ] - [ -0.0003996500000000, 0.0009560000000000, -0.0020151200000000 ] - [ 0.0050089600000000, -0.0001756500000000, 0.0008190700000000 ] - [ -0.0599686700000000, -0.0440181400000000, -0.0355466100000000 ] - [ 0.0035525700000000, 0.0002671100000000, 0.0001365200000000 ] - [ -0.0058429700000000, -0.0005605300000000, -0.0013591500000000 ] - [ 0.0025527700000000, 0.0001018100000000, 0.0008494300000000 ] - [ -0.0057636200000000, 0.0006125400000000, 0.0001832300000000 ] - [ 0.0030784300000000, -0.0005032700000000, 0.0001726400000000 ] - [ -0.0754653500000000, -0.0655103000000000, 0.0574782900000000 ] - [ 0.0041971300000000, 0.0007698000000000, -0.0007108300000000 ] - [ -0.0022102400000000, -0.0005461700000000, 0.0002789300000000 ] - [ 0.0021938400000000, 0.0002650100000000, -0.0006072100000000 ] - [ -0.0039312500000000, 0.0005422400000000, 0.0003222200000000 ] - [ 0.0024709800000000, 0.0013744600000000, 0.0000031600000000 ] - [ 0.0035971000000000, -0.0005367100000000, 0.0006089500000000 ] - [ 0.0065544500000000, -0.0065615000000000, -0.0008490900000000 ] - [ -0.0114880500000000, 0.0141329600000000, 0.0010749000000000 ] - [ 0.0050869400000000, -0.0019703000000000, -0.0007563100000000 ] - [ 0.0011482800000000, -0.0007374200000000, -0.0004292400000000 ] - [ 0.0000016500000000, -0.0013039600000000, -0.0003166200000000 ] - [ -0.0060105900000000, 0.0015093100000000, -0.0019137400000000 ] - [ 0.0024484700000000, 0.0000472800000000, 0.0007364300000000 ] - [ 0.0077016400000000, -0.0062621400000000, -0.0113169900000000 ] - [ 0.0031442500000000, 0.0004986700000000, 0.0020952200000000 ] - [ -0.0017767100000000, 0.0010082100000000, -0.0037578400000000 ] - [ 0.0029874600000000, -0.0007892600000000, 0.0004003500000000 ] - [ 0.0137632000000000, 0.0029978600000000, 0.0022493900000000 ] - [ 0.0111219300000000, 0.0043255600000000, -0.0009389000000000 ] - [ -0.0071188900000000, 0.0064376600000000, -0.0038881500000000 ] - [ 0.0026947700000000, 0.0003580300000000, -0.0005075200000000 ] - [ -0.0004082500000000, -0.0005527900000000, -0.0008219900000000 ] - [ 0.0010041000000000, 0.0003775500000000, 0.0000302800000000 ] - [ 0.0009554300000000, -0.0003396900000000, -0.0014746700000000 ] - [ 0.0001437200000000, -0.0003765200000000, 0.0001837700000000 ] - [ -0.0046363700000000, -0.0000306900000000, -0.0018160500000000 ] - [ 0.0029372100000000, -0.0002952000000000, 0.0012778000000000 ] - [ 0.0064762100000000, 0.0001838100000000, -0.0009624500000000 ] - [ 0.0008416700000000, 0.0017309100000000, 0.0004626400000000 ] - [ 0.0027333300000000, 0.0011253700000000, 0.0013062400000000 ] - [ 0.0014633900000000, 0.0000895200000000, -0.0051748500000000 ] - [ 0.0018525900000000, -0.0001765300000000, -0.0000495000000000 ] - [ -0.0009566000000000, 0.0000527500000000, -0.0027131300000000 ] - [ -0.0027825000000000, 0.0010716000000000, 0.0010332900000000 ] - [ 0.0012513000000000, 0.0002608900000000, 0.0000915900000000 ] - [ -0.0000516800000000, -0.0005490800000000, 0.0028916900000000 ] - [ 0.0012828700000000, -0.0001223500000000, -0.0011407300000000 ] - [ -0.0066125800000000, 0.0036678600000000, 0.0038354100000000 ] - [ 0.0030399500000000, -0.0003849200000000, -0.0004054600000000 ] - [ 0.0030981600000000, 0.0012272600000000, -0.0007985300000000 ] - [ 0.0076144800000000, -0.0029570500000000, 0.0063205500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005100500000000, -0.0000066200000000, 0.0004922500000000 ] - [ 0.0042734100000000, -0.0007667800000000, 0.0039668500000000 ] - [ 0.0014802600000000, -0.0028119500000000, 0.0005833000000000 ] - [ -0.0004993700000000, 0.0000914200000000, 0.0001777400000000 ] - [ -0.0016460700000000, 0.0042288500000000, -0.0035481100000000 ] - [ -0.0000715700000000, -0.0000816100000000, -0.0001428600000000 ] - [ -0.0036964700000000, 0.0053598400000000, -0.0051356500000000 ] - [ 0.0003190300000000, 0.0001048800000000, 0.0000288900000000 ] - [ -0.0012035300000000, 0.0000478000000000, -0.0009919500000000 ] - [ 0.0024353400000000, -0.0078882900000000, -0.0010699400000000 ] - [ 0.0112079600000000, -0.0044873600000000, -0.0078512500000000 ] - [ -0.0010438700000000, 0.0000791300000000, -0.0001825300000000 ] - [ -0.0056018300000000, 0.0076304400000000, 0.0059511800000000 ] - [ 0.0005274300000000, 0.0003599000000000, 0.0001001300000000 ] - [ -0.0046496200000000, 0.0115821800000000, 0.0059607500000000 ] - [ 0.0001195700000000, -0.0002260400000000, -0.0002049700000000 ] - [ -0.0009374200000000, -0.0028359300000000, 0.0016585600000000 ] - [ -0.0168865100000000, 0.0020559500000000, -0.0008964600000000 ] - [ -0.0000275400000000, 0.0006162900000000, 0.0009706800000000 ] - [ 0.0004099600000000, -0.0001564500000000, -0.0003391300000000 ] - [ 0.0089639700000000, 0.0369965500000000, -0.0049930200000000 ] - [ -0.0002047500000000, 0.0003424000000000, -0.0004590600000000 ] - [ 0.0000870300000000, -0.0003081800000000, -0.0006077500000000 ] - [ 0.0004366400000000, -0.0002239600000000, 0.0006369000000000 ] - [ -0.0263267500000000, 0.0059321500000000, 0.0055292700000000 ] - [ 0.0010782700000000, -0.0029984100000000, -0.0012690400000000 ] - [ -0.0020068300000000, -0.4474683600000000, 0.0195534200000000 ] - [ -0.0002617600000000, 0.0002947500000000, 0.0000673300000000 ] - [ 0.0000661700000000, 0.0000914600000000, -0.0005765200000000 ] - [ -0.0017653000000000, -0.0002226200000000, 0.0016667100000000 ] - [ -0.0003477200000000, -0.0036679600000000, -0.0004109200000000 ] - [ 0.0000138600000000, -0.0004862200000000, -0.0001349100000000 ] - [ -0.0011888100000000, 0.0005714300000000, -0.0019223300000000 ] - [ -0.0009477500000000, -0.0000377300000000, -0.0002377200000000 ] - [ 0.0163808600000000, 0.0629847900000000, -0.0019157200000000 ] - [ 0.0008783500000000, 0.0003951600000000, -0.0000719500000000 ] - [ 0.0006170800000000, 0.0017401500000000, -0.0001965300000000 ] - [ -0.0000903900000000, 0.0016507000000000, 0.0004525000000000 ] - [ 0.0037009300000000, 0.0053642100000000, 0.0041966100000000 ] - [ 0.0049043000000000, 0.0053729200000000, -0.0041583600000000 ] - [ 0.0026565800000000, -0.0051005800000000, -0.0009663600000000 ] - [ -0.0013785800000000, 0.0013539300000000, 0.0007065100000000 ] - [ -0.0556701700000000, 0.0645097400000000, 0.0471477700000000 ] - [ 0.0010548800000000, 0.0004300500000000, 0.0003804900000000 ] - [ -0.0496153900000000, 0.0608783700000000, -0.0416614000000000 ] - [ 0.0012815400000000, 0.0001965300000000, 0.0004223100000000 ] - [ -0.0056004400000000, -0.0080578900000000, -0.0001848600000000 ] - [ -0.0007554800000000, -0.0012289000000000, -0.0001173900000000 ] - [ 0.0487106600000000, 0.1133351800000000, 0.0694938700000000 ] - [ -0.0000246300000000, -0.0008030400000000, 0.0000519600000000 ] - [ -0.0007870400000000, 0.0010864400000000, 0.0008772900000000 ] - [ -0.0002508800000000, -0.0002276600000000, 0.0001742900000000 ] - [ -0.0000629500000000, 0.0018148700000000, 0.0006290700000000 ] - [ -0.0009126400000000, 0.0002205900000000, 0.0002504900000000 ] - [ 0.0588371900000000, 0.1449040500000000, -0.0918911700000000 ] - [ 0.0003971000000000, 0.0002846200000000, -0.0001449000000000 ] - [ -0.0014711600000000, -0.0007645300000000, 0.0001353100000000 ] - [ -0.0004427300000000, -0.0004468900000000, -0.0002796200000000 ] - [ -0.0000875400000000, 0.0019485100000000, -0.0004290600000000 ] - [ 0.0001302000000000, 0.0007570000000000, 0.0000465100000000 ] - [ -0.0008683500000000, -0.0002207000000000, -0.0007104100000000 ] - [ 0.0023479600000000, -0.0053374500000000, 0.0008583000000000 ] - [ 0.0070950000000000, -0.0241014200000000, -0.0003205400000000 ] - [ 0.0004461800000000, -0.0008466700000000, -0.0000466800000000 ] - [ -0.0004267200000000, -0.0009775600000000, 0.0004348500000000 ] - [ 0.0005512200000000, -0.0017186100000000, -0.0001642400000000 ] - [ 0.0002586300000000, -0.0009944600000000, -0.0000769600000000 ] - [ -0.0005740600000000, 0.0007310300000000, 0.0000230000000000 ] - [ 0.0051774300000000, 0.0030105400000000, -0.0058049600000000 ] - [ -0.0014190400000000, 0.0004650900000000, 0.0009414400000000 ] - [ 0.0005948100000000, -0.0036334000000000, 0.0026002900000000 ] - [ 0.0007314500000000, -0.0007257000000000, -0.0004711800000000 ] - [ 0.0088385400000000, 0.0038730500000000, -0.0003496500000000 ] - [ 0.0058255200000000, 0.0044938100000000, 0.0010181800000000 ] - [ -0.0054792000000000, -0.0127461200000000, 0.0099541700000000 ] - [ -0.0005509500000000, 0.0002924400000000, -0.0005182100000000 ] - [ -0.0000465800000000, -0.0004232300000000, -0.0004395900000000 ] - [ -0.0007977800000000, 0.0000972300000000, -0.0005767600000000 ] - [ -0.0015242100000000, 0.0005027000000000, 0.0014973800000000 ] - [ -0.0002998700000000, 0.0000646100000000, -0.0007296900000000 ] - [ 0.0002590500000000, 0.0021317400000000, 0.0005069000000000 ] - [ -0.0002733500000000, 0.0002005100000000, 0.0004441300000000 ] - [ -0.0001994800000000, -0.0011000400000000, -0.0006857300000000 ] - [ -0.0078455800000000, -0.0097255200000000, 0.0002130300000000 ] - [ 0.0006493600000000, 0.0008556500000000, 0.0010264100000000 ] - [ 0.0018983000000000, 0.0005753500000000, -0.0018326300000000 ] - [ -0.0003312100000000, -0.0004736200000000, -0.0002600300000000 ] - [ -0.0005825700000000, -0.0005079500000000, -0.0005206200000000 ] - [ -0.0001788400000000, -0.0011818700000000, -0.0029524500000000 ] - [ -0.0005353800000000, 0.0002913100000000, -0.0000507200000000 ] - [ 0.0000957800000000, -0.0003387000000000, 0.0015633800000000 ] - [ -0.0003118600000000, -0.0001274800000000, -0.0001978800000000 ] - [ -0.0019618100000000, -0.0096441700000000, -0.0056422700000000 ] - [ 0.0005538900000000, -0.0004121700000000, 0.0001040900000000 ] - [ -0.0002990900000000, 0.0012067000000000, -0.0010831200000000 ] - [ 0.0051878000000000, 0.0021358400000000, 0.0029312500000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003370600000000, 0.0000971500000000, -0.0004235700000000 ] - [ -0.0044513600000000, 0.0008583100000000, -0.0038971500000000 ] - [ -0.0013190800000000, 0.0027438700000000, -0.0005193600000000 ] - [ 0.0006708300000000, -0.0001809400000000, -0.0001109000000000 ] - [ 0.0014471600000000, -0.0043474300000000, 0.0034491200000000 ] - [ -0.0000997400000000, -0.0000118300000000, 0.0000735900000000 ] - [ 0.0038797900000000, -0.0052627300000000, 0.0051119100000000 ] - [ -0.0001447000000000, -0.0000105800000000, -0.0000957100000000 ] - [ 0.0013253300000000, -0.0005358600000000, 0.0012539500000000 ] - [ -0.0023083600000000, 0.0073392200000000, 0.0013193800000000 ] - [ -0.0112913100000000, 0.0049720900000000, 0.0080916100000000 ] - [ 0.0009302700000000, 0.0004070400000000, 0.0004427500000000 ] - [ 0.0056943700000000, -0.0071566600000000, -0.0061687500000000 ] - [ -0.0004102600000000, 0.0001221200000000, -0.0003573500000000 ] - [ 0.0045966500000000, -0.0120125800000000, -0.0063062700000000 ] - [ -0.0002339300000000, -0.0002558900000000, -0.0000559400000000 ] - [ 0.0001939400000000, 0.0024098000000000, -0.0010576700000000 ] - [ 0.0161314000000000, -0.0024065300000000, 0.0014811800000000 ] - [ 0.0007774700000000, -0.0010678500000000, -0.0015818500000000 ] - [ 0.0003421000000000, -0.0002857300000000, -0.0002611600000000 ] - [ -0.0099450100000000, -0.0367617500000000, 0.0045647600000000 ] - [ -0.0005417600000000, 0.0001005000000000, -0.0001409500000000 ] - [ 0.0006643900000000, 0.0007439200000000, 0.0012088200000000 ] - [ 0.0003151200000000, 0.0006621900000000, -0.0000380700000000 ] - [ 0.0280851300000000, -0.0063091700000000, -0.0049516900000000 ] - [ 0.0006805300000000, 0.0027336100000000, 0.0018940000000000 ] - [ 0.0031617100000000, 0.4471770200000000, -0.0282654100000000 ] - [ 0.0005318900000000, 0.0001870800000000, -0.0001316900000000 ] - [ -0.0018194400000000, 0.0001609300000000, 0.0011979600000000 ] - [ 0.0000000100000000, 0.0004758200000000, -0.0010467600000000 ] - [ 0.0000780600000000, 0.0031876200000000, 0.0003369700000000 ] - [ -0.0002756200000000, 0.0000047500000000, 0.0000715400000000 ] - [ -0.0005813000000000, -0.0008032100000000, 0.0012729600000000 ] - [ -0.0008080500000000, -0.0002071400000000, -0.0003873900000000 ] - [ -0.0142950700000000, -0.0624314200000000, 0.0015660500000000 ] - [ 0.0008819300000000, -0.0001519100000000, -0.0005535600000000 ] - [ -0.0008890400000000, -0.0012609900000000, 0.0002532900000000 ] - [ -0.0001656600000000, -0.0011637000000000, -0.0003978500000000 ] - [ -0.0034666300000000, -0.0058582800000000, -0.0041310600000000 ] - [ -0.0046000600000000, -0.0058495700000000, 0.0042338500000000 ] - [ -0.0028684700000000, 0.0066381100000000, 0.0008319600000000 ] - [ 0.0011559700000000, 0.0001476000000000, -0.0008414200000000 ] - [ 0.0570849700000000, -0.0642045900000000, -0.0468861900000000 ] - [ -0.0006197100000000, -0.0004754000000000, 0.0006330600000000 ] - [ 0.0492692100000000, -0.0609421800000000, 0.0409747300000000 ] - [ -0.0001826100000000, -0.0004102000000000, -0.0000842700000000 ] - [ 0.0060645700000000, 0.0080854000000000, -0.0008543800000000 ] - [ 0.0011915000000000, 0.0012706000000000, -0.0008987500000000 ] - [ -0.0456690400000000, -0.1099000400000000, -0.0649359500000000 ] - [ -0.0001877800000000, -0.0006872100000000, 0.0000821000000000 ] - [ 0.0000836700000000, -0.0016512500000000, -0.0008992200000000 ] - [ -0.0004599200000000, -0.0003508800000000, -0.0001992000000000 ] - [ -0.0010295800000000, -0.0016009700000000, -0.0002835600000000 ] - [ -0.0001886100000000, -0.0000043200000000, 0.0000882500000000 ] - [ -0.0618942700000000, -0.1491441700000000, 0.0975231700000000 ] - [ 0.0003086200000000, 0.0002934000000000, 0.0001226800000000 ] - [ 0.0003805000000000, 0.0005482500000000, -0.0004627400000000 ] - [ -0.0006582100000000, 0.0002292500000000, -0.0000568800000000 ] - [ 0.0002975200000000, -0.0004719100000000, 0.0005680500000000 ] - [ 0.0000787800000000, 0.0007325900000000, 0.0000869000000000 ] - [ 0.0015870500000000, -0.0003639700000000, 0.0007347300000000 ] - [ -0.0016579100000000, 0.0047345800000000, -0.0008400300000000 ] - [ -0.0059333400000000, 0.0225607900000000, 0.0002505000000000 ] - [ 0.0007318200000000, -0.0007416800000000, 0.0000429400000000 ] - [ 0.0006385900000000, -0.0005178600000000, -0.0005650100000000 ] - [ -0.0003402400000000, 0.0002211400000000, 0.0000297600000000 ] - [ -0.0014323900000000, 0.0025827600000000, 0.0000985400000000 ] - [ -0.0006068900000000, 0.0008589800000000, -0.0000257000000000 ] - [ -0.0066370000000000, -0.0040762400000000, 0.0066825700000000 ] - [ -0.0000495000000000, -0.0015674700000000, -0.0000916500000000 ] - [ 0.0008796600000000, 0.0025060200000000, -0.0034336100000000 ] - [ 0.0007361300000000, -0.0003823800000000, -0.0003764400000000 ] - [ -0.0077144500000000, -0.0022993700000000, 0.0003564800000000 ] - [ -0.0046170600000000, -0.0028935300000000, -0.0010147500000000 ] - [ 0.0039252500000000, 0.0137771900000000, -0.0107724500000000 ] - [ -0.0009191500000000, 0.0008176200000000, -0.0003304200000000 ] - [ -0.0006608600000000, 0.0010081400000000, 0.0004644500000000 ] - [ 0.0000856300000000, 0.0004845200000000, 0.0006040400000000 ] - [ 0.0003393800000000, -0.0020883200000000, -0.0014873800000000 ] - [ -0.0008764500000000, -0.0016541300000000, 0.0007335000000000 ] - [ -0.0007005900000000, -0.0020815200000000, 0.0005139100000000 ] - [ -0.0001700900000000, -0.0001558900000000, 0.0005687900000000 ] - [ 0.0012980400000000, 0.0013204700000000, 0.0003467800000000 ] - [ 0.0089477300000000, 0.0099806600000000, -0.0005852600000000 ] - [ 0.0008189100000000, 0.0002490200000000, -0.0001754700000000 ] - [ -0.0004249200000000, 0.0005225400000000, 0.0026785500000000 ] - [ -0.0001094400000000, 0.0004325200000000, -0.0007522600000000 ] - [ 0.0001323000000000, 0.0004677200000000, -0.0004768900000000 ] - [ -0.0007804300000000, 0.0018666800000000, 0.0029393700000000 ] - [ -0.0004240500000000, 0.0003851100000000, 0.0000327800000000 ] - [ -0.0010569500000000, -0.0003340100000000, -0.0015510000000000 ] - [ -0.0006480400000000, -0.0005478100000000, 0.0002148000000000 ] - [ 0.0029862300000000, 0.0090556800000000, 0.0056629200000000 ] - [ 0.0004018800000000, -0.0002640000000000, -0.0001234900000000 ] - [ 0.0012528800000000, -0.0005350400000000, 0.0010989600000000 ] - [ -0.0042376300000000, -0.0014822700000000, -0.0029044700000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007724200000000, 0.0001201600000000, 0.0000482100000000 ] - [ 0.0046305400000000, 0.0012751200000000, 0.0034830800000000 ] - [ 0.0033863000000000, 0.0023720700000000, 0.0021183500000000 ] - [ -0.0008677400000000, 0.0001709400000000, 0.0005490600000000 ] - [ 0.0010465800000000, -0.0042713800000000, 0.0036014400000000 ] - [ -0.0002591100000000, -0.0001351300000000, 0.0000693900000000 ] - [ 0.0038190400000000, -0.0046774700000000, 0.0047654200000000 ] - [ -0.0002445900000000, 0.0000032300000000, -0.0000913000000000 ] - [ 0.0015115400000000, -0.0006217600000000, 0.0015087000000000 ] - [ -0.0078249300000000, -0.0070407500000000, 0.0075229500000000 ] - [ -0.0130665800000000, -0.0006916800000000, 0.0086785300000000 ] - [ 0.0014062100000000, 0.0001679800000000, 0.0002632300000000 ] - [ -0.0054404500000000, 0.0034546300000000, 0.0052502500000000 ] - [ 0.0003964300000000, 0.0002536300000000, -0.0001393400000000 ] - [ -0.0021698300000000, 0.0106348500000000, 0.0071966600000000 ] - [ -0.0000408100000000, -0.0001397700000000, 0.0001780400000000 ] - [ 0.0005200000000000, 0.0018702600000000, -0.0020718400000000 ] - [ -0.0162055800000000, 0.0030253500000000, -0.0136729200000000 ] - [ 0.0003812900000000, -0.0011467500000000, 0.0035685500000000 ] - [ 0.0002067000000000, -0.0002605400000000, 0.0000318300000000 ] - [ -0.0061973500000000, -0.0148716700000000, -0.0161384000000000 ] - [ -0.0002331200000000, 0.0003906400000000, -0.0008540400000000 ] - [ -0.0009069700000000, 0.0005917700000000, 0.0030296600000000 ] - [ 0.0006714600000000, 0.0003512300000000, 0.0014406900000000 ] - [ 0.0229118500000000, -0.0054772700000000, -0.0231746900000000 ] - [ -0.0004989200000000, -0.0028849400000000, -0.0032625300000000 ] - [ 0.0620008400000000, 0.0253186900000000, -0.4140534400000000 ] - [ -0.0000660700000000, 0.0003193800000000, -0.0012691200000000 ] - [ -0.0022071400000000, -0.0002352700000000, 0.0021062500000000 ] - [ 0.0019631900000000, -0.0005373300000000, 0.0067011500000000 ] - [ 0.0005492800000000, 0.0001541600000000, 0.0116351800000000 ] - [ -0.0004697600000000, -0.0001169800000000, 0.0006947700000000 ] - [ 0.0004493300000000, 0.0013017800000000, 0.0065754200000000 ] - [ -0.0011448400000000, -0.0001152300000000, 0.0002952200000000 ] - [ 0.0083548400000000, 0.0221119100000000, -0.0262331700000000 ] - [ 0.0004704500000000, -0.0002499700000000, -0.0012971200000000 ] - [ -0.0006251300000000, 0.0004449500000000, 0.0023795700000000 ] - [ -0.0004556800000000, -0.0002083100000000, 0.0027708800000000 ] - [ -0.0025193800000000, -0.0044172200000000, -0.0080202300000000 ] - [ 0.0033945600000000, 0.0039426700000000, -0.0080160300000000 ] - [ -0.0065572900000000, 0.0084057600000000, 0.0036881100000000 ] - [ -0.0003287300000000, 0.0011885800000000, 0.0016176600000000 ] - [ -0.0936249700000000, 0.0466003800000000, 0.1210254900000000 ] - [ -0.0005225300000000, -0.0004635200000000, 0.0008659100000000 ] - [ 0.0586631900000000, -0.0362390900000000, 0.0867535500000000 ] - [ 0.0018655500000000, 0.0001486800000000, 0.0007554500000000 ] - [ 0.0074535100000000, 0.0062985100000000, 0.0024737800000000 ] - [ -0.0006487900000000, -0.0004710000000000, 0.0010281100000000 ] - [ 0.0344786700000000, 0.0613807400000000, 0.0880615800000000 ] - [ 0.0001451400000000, -0.0005094700000000, 0.0005584400000000 ] - [ -0.0007006500000000, 0.0003499100000000, -0.0060385900000000 ] - [ -0.0003658200000000, -0.0002319000000000, -0.0004360300000000 ] - [ -0.0019134400000000, 0.0001874300000000, -0.0057919000000000 ] - [ 0.0000754600000000, 0.0000351200000000, -0.0001952200000000 ] - [ -0.0534079200000000, -0.0989162400000000, 0.1228689600000000 ] - [ 0.0001679200000000, 0.0000365800000000, 0.0005072100000000 ] - [ -0.0008113900000000, -0.0003851500000000, -0.0021289800000000 ] - [ -0.0003313600000000, -0.0002108100000000, -0.0008899300000000 ] - [ -0.0003997100000000, -0.0000087400000000, -0.0053400100000000 ] - [ 0.0003034700000000, 0.0007754300000000, -0.0002854600000000 ] - [ 0.0005278400000000, -0.0002200500000000, 0.0016958100000000 ] - [ 0.0060667400000000, -0.0063213100000000, 0.0032041100000000 ] - [ 0.0016013600000000, -0.0030845400000000, 0.0043893100000000 ] - [ 0.0005986600000000, -0.0007253700000000, 0.0002436700000000 ] - [ 0.0006453900000000, -0.0006323600000000, -0.0009786600000000 ] - [ -0.0007554000000000, -0.0004321900000000, -0.0021796200000000 ] - [ -0.0016198300000000, 0.0005669300000000, -0.0033153300000000 ] - [ -0.0004050100000000, 0.0007163400000000, -0.0002444800000000 ] - [ 0.0027327900000000, -0.0031888500000000, 0.0124042600000000 ] - [ -0.0014835300000000, -0.0001436600000000, 0.0020115300000000 ] - [ 0.0010938800000000, 0.0001719700000000, -0.0058994700000000 ] - [ 0.0006705500000000, -0.0005010200000000, -0.0007531200000000 ] - [ -0.0082790400000000, -0.0011510900000000, 0.0023467900000000 ] - [ 0.0079097500000000, 0.0036994900000000, 0.0025383200000000 ] - [ 0.0003127300000000, 0.0017346300000000, 0.0123338100000000 ] - [ -0.0009139500000000, 0.0008283400000000, -0.0000762100000000 ] - [ 0.0009355900000000, -0.0000145800000000, -0.0016263700000000 ] - [ -0.0006336900000000, 0.0001163900000000, -0.0010157700000000 ] - [ 0.0010774000000000, -0.0011735600000000, -0.0019792600000000 ] - [ -0.0013871100000000, -0.0005488400000000, -0.0018031600000000 ] - [ 0.0003161800000000, -0.0002066400000000, -0.0051356500000000 ] - [ -0.0004220400000000, 0.0000075700000000, 0.0001951900000000 ] - [ 0.0016367000000000, 0.0006386400000000, 0.0013513400000000 ] - [ -0.0083793600000000, -0.0075818800000000, 0.0038361300000000 ] - [ 0.0006731900000000, 0.0004019700000000, -0.0007050600000000 ] - [ 0.0019251800000000, 0.0002611000000000, -0.0047510800000000 ] - [ -0.0000697600000000, 0.0001751300000000, -0.0013562300000000 ] - [ 0.0001552000000000, 0.0004469400000000, -0.0027678100000000 ] - [ -0.0010160100000000, -0.0000471000000000, -0.0039163600000000 ] - [ -0.0003286900000000, 0.0003556100000000, -0.0000773500000000 ] - [ -0.0010700100000000, -0.0001761100000000, -0.0027606300000000 ] - [ 0.0001890700000000, -0.0002523400000000, -0.0011075500000000 ] - [ -0.0017254200000000, -0.0029300900000000, 0.0096825200000000 ] - [ 0.0006905900000000, -0.0004529200000000, 0.0002963900000000 ] - [ 0.0016090800000000, 0.0000062200000000, 0.0014963200000000 ] - [ -0.0022733600000000, 0.0015100200000000, 0.0071572200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006144000000000, -0.0000369700000000, 0.0000196400000000 ] - [ -0.0047706000000000, -0.0011686400000000, -0.0034214500000000 ] - [ -0.0032527700000000, -0.0024629200000000, -0.0020342200000000 ] - [ 0.0010250100000000, -0.0002564500000000, -0.0004706100000000 ] - [ -0.0012210100000000, 0.0042134500000000, -0.0036638000000000 ] - [ 0.0001053300000000, 0.0000508400000000, -0.0001384700000000 ] - [ -0.0036460900000000, 0.0047074900000000, -0.0048392300000000 ] - [ 0.0004045100000000, 0.0000815500000000, 0.0000172900000000 ] - [ -0.0013978600000000, 0.0001401100000000, -0.0012347400000000 ] - [ 0.0080186200000000, 0.0065771100000000, -0.0072562000000000 ] - [ 0.0129065400000000, 0.0011227900000000, -0.0084516700000000 ] - [ -0.0015084200000000, 0.0003130000000000, -0.0000112000000000 ] - [ 0.0055463300000000, -0.0029294600000000, -0.0055383600000000 ] - [ -0.0002843700000000, 0.0002286400000000, -0.0001279200000000 ] - [ 0.0021042900000000, -0.0111457200000000, -0.0074278000000000 ] - [ -0.0000711100000000, -0.0003417300000000, -0.0004315400000000 ] - [ -0.0012585200000000, -0.0023030200000000, 0.0026479700000000 ] - [ 0.0154110600000000, -0.0034507500000000, 0.0142004500000000 ] - [ 0.0003771900000000, 0.0007311000000000, -0.0041513300000000 ] - [ 0.0005385100000000, -0.0001749000000000, -0.0006110800000000 ] - [ 0.0054601800000000, 0.0153466800000000, 0.0156212800000000 ] - [ -0.0005162400000000, 0.0000437900000000, 0.0002753600000000 ] - [ 0.0016284400000000, -0.0001513000000000, -0.0024477000000000 ] - [ 0.0000827100000000, 0.0000889900000000, -0.0008610300000000 ] - [ -0.0210378600000000, 0.0051806600000000, 0.0237070800000000 ] - [ 0.0022293700000000, 0.0026321800000000, 0.0039003800000000 ] - [ -0.0626443300000000, -0.0224720700000000, 0.4140471500000000 ] - [ 0.0003393900000000, 0.0001422300000000, 0.0012102600000000 ] - [ 0.0004537200000000, 0.0004853500000000, -0.0014617700000000 ] - [ -0.0036630500000000, 0.0007776600000000, -0.0060548300000000 ] - [ -0.0008301600000000, -0.0006158600000000, -0.0116951200000000 ] - [ 0.0001983200000000, -0.0003444300000000, -0.0007506400000000 ] - [ -0.0022112900000000, -0.0015869800000000, -0.0072273800000000 ] - [ -0.0005932300000000, -0.0001373600000000, -0.0009382500000000 ] - [ -0.0066576300000000, -0.0219821100000000, 0.0256967700000000 ] - [ 0.0012764700000000, 0.0005030500000000, 0.0006553400000000 ] - [ 0.0003347000000000, 0.0000171200000000, -0.0023246200000000 ] - [ 0.0001997700000000, 0.0006641400000000, -0.0027156800000000 ] - [ 0.0028081200000000, 0.0039527000000000, 0.0080742100000000 ] - [ -0.0031382000000000, -0.0044060700000000, 0.0080776100000000 ] - [ 0.0063070600000000, -0.0068705100000000, -0.0038130600000000 ] - [ 0.0001280600000000, 0.0002933900000000, -0.0017529500000000 ] - [ 0.0986992300000000, -0.0489833400000000, -0.1222618600000000 ] - [ 0.0010477700000000, 0.0003850800000000, 0.0001468600000000 ] - [ -0.0602914400000000, 0.0376231100000000, -0.0874715500000000 ] - [ -0.0007691000000000, -0.0003645300000000, -0.0004321700000000 ] - [ -0.0069568800000000, -0.0062507100000000, -0.0034840100000000 ] - [ 0.0011878200000000, 0.0005533800000000, -0.0020362300000000 ] - [ -0.0331452900000000, -0.0600480300000000, -0.0867896400000000 ] - [ -0.0003522300000000, -0.0009791600000000, -0.0004247300000000 ] - [ 0.0000112900000000, -0.0008677000000000, 0.0060307600000000 ] - [ -0.0003127400000000, -0.0002661100000000, 0.0004034600000000 ] - [ 0.0007965100000000, 0.0000398100000000, 0.0060882400000000 ] - [ -0.0011639400000000, 0.0001800200000000, 0.0005211700000000 ] - [ 0.0515543400000000, 0.0950195500000000, -0.1207973600000000 ] - [ 0.0005098100000000, 0.0004611100000000, -0.0005372000000000 ] - [ -0.0002668200000000, 0.0001771100000000, 0.0018069300000000 ] - [ -0.0007679500000000, -0.0000055000000000, 0.0005637900000000 ] - [ 0.0006189500000000, 0.0015197500000000, 0.0054964900000000 ] - [ -0.0000988400000000, 0.0007118700000000, 0.0004181800000000 ] - [ 0.0001423000000000, -0.0002728200000000, -0.0016694100000000 ] - [ -0.0053626700000000, 0.0057968100000000, -0.0031759700000000 ] - [ -0.0004923400000000, 0.0015678800000000, -0.0044204500000000 ] - [ 0.0005234800000000, -0.0008121500000000, -0.0002685700000000 ] - [ -0.0004351100000000, -0.0008576000000000, 0.0008502400000000 ] - [ 0.0009502200000000, -0.0010474100000000, 0.0020467400000000 ] - [ 0.0004962800000000, 0.0009711500000000, 0.0032882900000000 ] - [ -0.0007202600000000, 0.0008212100000000, 0.0002178300000000 ] - [ -0.0041563400000000, 0.0020572600000000, -0.0114678200000000 ] - [ 0.0000165000000000, -0.0009769900000000, -0.0011347000000000 ] - [ 0.0003871500000000, -0.0012779100000000, 0.0050413600000000 ] - [ 0.0007979000000000, -0.0006173500000000, -0.0001119100000000 ] - [ 0.0093523200000000, 0.0026749100000000, -0.0023208300000000 ] - [ -0.0067626600000000, -0.0021528400000000, -0.0025156300000000 ] - [ -0.0017936600000000, -0.0006561900000000, -0.0132699700000000 ] - [ -0.0005592400000000, 0.0002904800000000, -0.0007962200000000 ] - [ -0.0016055600000000, 0.0005073800000000, 0.0016596300000000 ] - [ -0.0000503400000000, 0.0003825500000000, 0.0010521100000000 ] - [ -0.0021905400000000, -0.0003561600000000, 0.0020073700000000 ] - [ 0.0002479000000000, -0.0009916400000000, 0.0018313300000000 ] - [ -0.0008202300000000, 0.0002733200000000, 0.0061359400000000 ] - [ -0.0001120800000000, 0.0000693400000000, 0.0008204000000000 ] - [ -0.0005563200000000, -0.0004299000000000, -0.0016660500000000 ] - [ 0.0095224100000000, 0.0078436000000000, -0.0041731400000000 ] - [ 0.0008000600000000, 0.0007172500000000, 0.0015687100000000 ] - [ -0.0004764000000000, 0.0008664500000000, 0.0056166700000000 ] - [ -0.0004548700000000, -0.0002511400000000, 0.0003377600000000 ] - [ -0.0006974300000000, -0.0005294500000000, 0.0017526300000000 ] - [ 0.0000431000000000, 0.0007223200000000, 0.0039811700000000 ] - [ -0.0006391200000000, 0.0003294900000000, 0.0001328400000000 ] - [ 0.0001127700000000, -0.0005122000000000, 0.0026975500000000 ] - [ -0.0011625900000000, -0.0004341900000000, 0.0010495700000000 ] - [ 0.0027097600000000, 0.0022903300000000, -0.0096677000000000 ] - [ 0.0002801500000000, -0.0002318600000000, -0.0002437100000000 ] - [ -0.0006420200000000, 0.0006797300000000, -0.0015445800000000 ] - [ 0.0032116400000000, -0.0008160500000000, -0.0071808200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013583700000000, -0.0012639900000000, 0.0012491900000000 ] - [ -0.0009775800000000, 0.0000748900000000, -0.0002511500000000 ] - [ 0.0029151200000000, 0.0005582000000000, -0.0001495200000000 ] - [ -0.0008657600000000, -0.0000220500000000, -0.0000124400000000 ] - [ 0.0023594200000000, -0.0009908500000000, 0.0013125800000000 ] - [ -0.0013167500000000, -0.0001491100000000, -0.0004945000000000 ] - [ -0.0004758900000000, -0.0000099300000000, -0.0005727800000000 ] - [ -0.0004014300000000, 0.0010123300000000, 0.0009964000000000 ] - [ 0.0000190800000000, -0.0041952900000000, -0.0052943700000000 ] - [ -0.0021028600000000, -0.0000740600000000, 0.0008971000000000 ] - [ 0.0025224400000000, 0.0009577600000000, -0.0007992600000000 ] - [ -0.0018419800000000, 0.0003653000000000, 0.0003388000000000 ] - [ 0.0012224300000000, -0.0002617800000000, -0.0026924100000000 ] - [ -0.0020316600000000, -0.0000426100000000, 0.0007261400000000 ] - [ -0.0019352600000000, -0.0004651600000000, 0.0011433900000000 ] - [ -0.0019081000000000, 0.0011681400000000, -0.0028964200000000 ] - [ -0.0012545300000000, 0.0034336800000000, 0.0029672200000000 ] - [ -0.0026784900000000, -0.0001067000000000, -0.0001180400000000 ] - [ -0.0004468400000000, -0.0004233600000000, -0.0001022500000000 ] - [ 0.0002539000000000, -0.0001245300000000, -0.0002938700000000 ] - [ 0.0008134800000000, -0.0012462200000000, -0.0025659800000000 ] - [ -0.0026707800000000, 0.0010885800000000, -0.0003341800000000 ] - [ 0.0018762000000000, 0.0000439400000000, 0.0004865400000000 ] - [ -0.0008120600000000, 0.0001894100000000, 0.0004150100000000 ] - [ 0.0425700100000000, -0.0226230500000000, 0.0104583200000000 ] - [ -0.0025472500000000, -0.0000238800000000, 0.0001005300000000 ] - [ -0.0080488100000000, 0.0030107300000000, -0.0064826300000000 ] - [ -0.0026360000000000, -0.0010205700000000, -0.0002601300000000 ] - [ 0.0009274900000000, 0.0007547700000000, -0.0009279800000000 ] - [ -0.0025385500000000, 0.0001637800000000, 0.0008201100000000 ] - [ -0.0000176000000000, 0.0002033100000000, 0.0008238500000000 ] - [ -0.0011796400000000, -0.0007731500000000, -0.0005733500000000 ] - [ 0.0012599700000000, -0.0000606200000000, -0.0000551000000000 ] - [ -0.0028533400000000, -0.0000127900000000, -0.0003744800000000 ] - [ -0.0036894500000000, -0.0006698600000000, -0.0013813900000000 ] - [ -0.0098207300000000, -0.0031964100000000, -0.0009940400000000 ] - [ 0.0038934300000000, 0.0004340300000000, -0.0004705200000000 ] - [ -0.0024948500000000, 0.0002151900000000, 0.0002356700000000 ] - [ 0.0600156000000000, -0.0467183400000000, -0.0333322300000000 ] - [ -0.0035230000000000, -0.0003242300000000, -0.0002150300000000 ] - [ -0.1090863200000000, 0.1017861400000000, 0.0364402000000000 ] - [ 0.0014533000000000, 0.0003185600000000, -0.0000747600000000 ] - [ 0.0039803100000000, -0.0011761400000000, 0.0005826400000000 ] - [ 0.0013102100000000, -0.0005353500000000, 0.0004217200000000 ] - [ 0.0142215300000000, -0.0213988000000000, 0.0046861700000000 ] - [ 0.0030930300000000, -0.0002302800000000, 0.0002643100000000 ] - [ -0.0075940400000000, 0.0058465100000000, 0.0044633200000000 ] - [ 0.0025294100000000, 0.0001596000000000, -0.0002788700000000 ] - [ 0.0018937400000000, -0.0001196100000000, 0.0013812000000000 ] - [ 0.0018941900000000, 0.0016134300000000, -0.0003749700000000 ] - [ 0.0001718700000000, -0.0005071100000000, -0.0008392600000000 ] - [ 0.0003172100000000, 0.0000963500000000, 0.0007392100000000 ] - [ 0.0001809000000000, -0.0001545900000000, 0.0001708900000000 ] - [ -0.0008274300000000, 0.0002028200000000, 0.0002269800000000 ] - [ 0.0002361700000000, -0.0013680900000000, 0.0026303700000000 ] - [ 0.0016736000000000, 0.0004221000000000, -0.0004152100000000 ] - [ -0.0030526600000000, -0.0003189200000000, -0.0004121900000000 ] - [ 0.0010660000000000, 0.0001691000000000, -0.0001793100000000 ] - [ -0.0003325500000000, 0.0005292700000000, -0.0004298900000000 ] - [ 0.0007332100000000, 0.0008550700000000, 0.0002435900000000 ] - [ 0.0022255900000000, -0.0133653900000000, -0.0023062100000000 ] - [ 0.0020663000000000, -0.0005973000000000, 0.0002976000000000 ] - [ 0.0019997000000000, -0.0001878400000000, 0.0014977700000000 ] - [ 0.0048390100000000, -0.0019490200000000, -0.0006651300000000 ] - [ -0.0011232300000000, -0.0008627400000000, -0.0001151300000000 ] - [ 0.0009835200000000, -0.0009807900000000, -0.0000979700000000 ] - [ -0.0006704700000000, 0.0012052100000000, -0.0009036100000000 ] - [ 0.0003797200000000, 0.0004950100000000, 0.0006439400000000 ] - [ -0.0080907300000000, -0.0053367500000000, 0.0062310100000000 ] - [ 0.0006398200000000, -0.0004893400000000, 0.0005315300000000 ] - [ 0.0000170900000000, -0.0006232500000000, 0.0000450700000000 ] - [ 0.0016085600000000, -0.0007356600000000, -0.0005579900000000 ] - [ -0.0072245800000000, 0.0087536100000000, -0.0004444300000000 ] - [ 0.0026838700000000, 0.0013400800000000, 0.0003207500000000 ] - [ 0.0016930400000000, 0.0008841000000000, -0.0006737700000000 ] - [ 0.0045769700000000, 0.0007932000000000, 0.0007103300000000 ] - [ -0.0022769600000000, 0.0008220900000000, 0.0002836800000000 ] - [ 0.0008083600000000, 0.0001383500000000, -0.0002916600000000 ] - [ -0.0023999700000000, -0.0013758600000000, 0.0006632700000000 ] - [ 0.0005955000000000, -0.0005030700000000, -0.0002896900000000 ] - [ -0.0009988500000000, 0.0001101000000000, 0.0007618100000000 ] - [ 0.0008493200000000, 0.0000408700000000, 0.0005451900000000 ] - [ 0.0162063300000000, -0.0058493800000000, -0.0163630400000000 ] - [ 0.0031014200000000, 0.0006822100000000, 0.0000409800000000 ] - [ -0.0001207100000000, 0.0004574900000000, 0.0019772900000000 ] - [ 0.0016415800000000, 0.0005623000000000, -0.0001524900000000 ] - [ -0.0013519100000000, -0.0003340000000000, 0.0012753200000000 ] - [ 0.0010417300000000, 0.0001929700000000, -0.0010127100000000 ] - [ -0.0001667800000000, 0.0003645900000000, 0.0001689800000000 ] - [ -0.0001878400000000, 0.0004250600000000, -0.0006202400000000 ] - [ -0.0024220000000000, -0.0006726700000000, -0.0007422200000000 ] - [ 0.0003224000000000, -0.0003087200000000, -0.0001027300000000 ] - [ 0.0016326100000000, 0.0027798200000000, -0.0001122400000000 ] - [ 0.0016013300000000, -0.0006743100000000, 0.0001166400000000 ] - [ -0.0008037800000000, -0.0005553700000000, -0.0016226300000000 ] - [ 0.0015246100000000, 0.0002888300000000, 0.0003897900000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015463500000000, 0.0013634000000000, -0.0011784300000000 ] - [ 0.0008054700000000, 0.0000170700000000, 0.0003189000000000 ] - [ -0.0027364600000000, -0.0006539300000000, 0.0002149600000000 ] - [ 0.0010380400000000, -0.0000737200000000, 0.0000838400000000 ] - [ -0.0023657500000000, 0.0008698600000000, -0.0015468600000000 ] - [ 0.0011461600000000, 0.0000561700000000, 0.0004264900000000 ] - [ 0.0006523700000000, 0.0001024400000000, 0.0005025000000000 ] - [ 0.0005729500000000, -0.0009242900000000, -0.0010659200000000 ] - [ 0.0000605000000000, 0.0037340500000000, 0.0055516700000000 ] - [ 0.0022163000000000, -0.0004071300000000, -0.0006352900000000 ] - [ -0.0026360000000000, -0.0004788400000000, 0.0010837000000000 ] - [ 0.0017260500000000, 0.0001177500000000, -0.0000816800000000 ] - [ -0.0010845200000000, 0.0007513100000000, 0.0024403800000000 ] - [ 0.0021473800000000, 0.0005268000000000, -0.0009864200000000 ] - [ 0.0018185500000000, -0.0000215700000000, -0.0013974000000000 ] - [ 0.0017882500000000, -0.0016659900000000, 0.0026419700000000 ] - [ 0.0004671000000000, -0.0038892300000000, -0.0023589400000000 ] - [ 0.0019272700000000, -0.0003346400000000, 0.0007174000000000 ] - [ 0.0011997100000000, -0.0000180800000000, -0.0004945200000000 ] - [ 0.0004941300000000, -0.0003172500000000, -0.0003067000000000 ] - [ -0.0015167600000000, 0.0016733200000000, 0.0019334700000000 ] - [ 0.0019201900000000, -0.0006515000000000, -0.0002676300000000 ] - [ -0.0011268200000000, 0.0003985800000000, 0.0001220700000000 ] - [ 0.0015630900000000, 0.0002522600000000, 0.0001866000000000 ] - [ -0.0411747800000000, 0.0225526400000000, -0.0100371800000000 ] - [ 0.0043068900000000, -0.0002212700000000, 0.0005213900000000 ] - [ 0.0083161300000000, -0.0025139000000000, 0.0063874700000000 ] - [ 0.0028929100000000, 0.0015135000000000, 0.0002009100000000 ] - [ -0.0026984300000000, -0.0005124100000000, 0.0015575700000000 ] - [ 0.0007834800000000, 0.0000810500000000, -0.0001943400000000 ] - [ -0.0002353700000000, -0.0006867500000000, -0.0008752300000000 ] - [ 0.0009078600000000, 0.0002930000000000, 0.0005131800000000 ] - [ -0.0030134900000000, -0.0001886300000000, -0.0005519100000000 ] - [ 0.0010927700000000, -0.0002348400000000, -0.0002484900000000 ] - [ 0.0054347000000000, 0.0009174500000000, 0.0007445500000000 ] - [ 0.0116009800000000, 0.0034487200000000, 0.0003517900000000 ] - [ -0.0041696800000000, 0.0000486700000000, 0.0005423800000000 ] - [ 0.0022297400000000, 0.0002665800000000, -0.0001718500000000 ] - [ -0.0597395900000000, 0.0476136100000000, 0.0342747400000000 ] - [ 0.0037887400000000, -0.0001600200000000, 0.0002767700000000 ] - [ 0.1092333400000000, -0.1018192100000000, -0.0372670300000000 ] - [ -0.0016654500000000, 0.0011718100000000, -0.0000530400000000 ] - [ -0.0035351100000000, 0.0011303000000000, 0.0004353300000000 ] - [ -0.0008568300000000, 0.0004913600000000, 0.0005958000000000 ] - [ -0.0129738100000000, 0.0208861000000000, -0.0043460600000000 ] - [ -0.0019946200000000, 0.0000087500000000, 0.0000775100000000 ] - [ 0.0080072300000000, -0.0059003800000000, -0.0055403300000000 ] - [ -0.0020917500000000, -0.0001174200000000, -0.0007343700000000 ] - [ -0.0021083600000000, -0.0013751900000000, -0.0012444900000000 ] - [ -0.0021070800000000, -0.0031161800000000, 0.0005059700000000 ] - [ -0.0008854900000000, -0.0000774200000000, 0.0008060500000000 ] - [ -0.0010260200000000, -0.0006778300000000, -0.0007651200000000 ] - [ -0.0012851500000000, 0.0003724300000000, 0.0001693100000000 ] - [ -0.0002647600000000, 0.0000123300000000, 0.0001129800000000 ] - [ 0.0004488200000000, 0.0019364100000000, -0.0026328400000000 ] - [ -0.0009630200000000, 0.0001586000000000, 0.0003913100000000 ] - [ 0.0019537400000000, 0.0001014700000000, 0.0000668000000000 ] - [ -0.0021646000000000, -0.0003862300000000, -0.0001628400000000 ] - [ 0.0005412600000000, 0.0009602200000000, 0.0005516300000000 ] - [ -0.0005206600000000, 0.0006355800000000, -0.0001151900000000 ] - [ -0.0015263300000000, 0.0129420800000000, 0.0023373000000000 ] - [ -0.0013574000000000, 0.0000175300000000, -0.0002733500000000 ] - [ -0.0008185700000000, -0.0013861500000000, -0.0014796000000000 ] - [ -0.0036671900000000, 0.0003631100000000, 0.0006665200000000 ] - [ 0.0013397600000000, -0.0006262600000000, -0.0000154500000000 ] - [ -0.0007738600000000, -0.0005082100000000, -0.0000305500000000 ] - [ -0.0005135600000000, 0.0003908400000000, 0.0008915300000000 ] - [ -0.0015601000000000, 0.0010967600000000, -0.0006485700000000 ] - [ 0.0065529800000000, 0.0042874900000000, -0.0054194300000000 ] - [ -0.0021102400000000, -0.0006185600000000, 0.0003205800000000 ] - [ 0.0014432100000000, -0.0004830000000000, -0.0009094800000000 ] - [ -0.0001393500000000, -0.0003711800000000, -0.0002897800000000 ] - [ 0.0084635900000000, -0.0071123800000000, 0.0004326300000000 ] - [ -0.0015051700000000, 0.0002498900000000, -0.0003185000000000 ] - [ -0.0031536300000000, 0.0002228600000000, -0.0001765100000000 ] - [ -0.0061124000000000, 0.0003172100000000, -0.0015641000000000 ] - [ 0.0015722900000000, -0.0002434000000000, -0.0002661200000000 ] - [ -0.0015179400000000, 0.0004418800000000, 0.0003150200000000 ] - [ 0.0012280600000000, -0.0002144500000000, -0.0006704700000000 ] - [ -0.0017783500000000, -0.0010888200000000, 0.0002928800000000 ] - [ 0.0005500700000000, -0.0000674200000000, 0.0002376400000000 ] - [ -0.0012886000000000, 0.0000005900000000, 0.0004694100000000 ] - [ -0.0152805300000000, 0.0061682100000000, 0.0163355300000000 ] - [ -0.0020041800000000, -0.0004649200000000, -0.0003799200000000 ] - [ 0.0015950000000000, 0.0006503600000000, -0.0011291600000000 ] - [ -0.0001730100000000, 0.0005454000000000, 0.0009999200000000 ] - [ 0.0009176800000000, 0.0002938800000000, -0.0022973700000000 ] - [ -0.0014832300000000, -0.0002351000000000, -0.0000021800000000 ] - [ -0.0007964500000000, 0.0003104200000000, -0.0001930700000000 ] - [ -0.0007706200000000, 0.0002494400000000, 0.0006024500000000 ] - [ 0.0014594100000000, -0.0000035200000000, 0.0007634400000000 ] - [ -0.0012817300000000, -0.0003681700000000, 0.0001220300000000 ] - [ -0.0006686200000000, -0.0034173500000000, 0.0000945900000000 ] - [ -0.0006438900000000, 0.0000021900000000, -0.0001370300000000 ] - [ 0.0017751200000000, 0.0012333000000000, 0.0016400800000000 ] - [ -0.0005675900000000, 0.0003856700000000, -0.0003681900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014754200000000, 0.0010918200000000, 0.0001821800000000 ] - [ 0.0002841500000000, 0.0001231000000000, 0.0002084000000000 ] - [ -0.0004308400000000, -0.0046747200000000, -0.0002243500000000 ] - [ 0.0003816100000000, -0.0001017600000000, 0.0000420700000000 ] - [ 0.0000300400000000, 0.0040779600000000, -0.0010943300000000 ] - [ 0.0002369000000000, 0.0000765000000000, 0.0001308600000000 ] - [ -0.0000384600000000, -0.0002045700000000, 0.0000365200000000 ] - [ 0.0004939600000000, -0.0005037200000000, -0.0005652400000000 ] - [ -0.0068569500000000, 0.0022424800000000, -0.0047996400000000 ] - [ 0.0010524800000000, -0.0000267700000000, -0.0002691100000000 ] - [ -0.0004518400000000, -0.0074184200000000, -0.0000778100000000 ] - [ 0.0005020200000000, 0.0001244700000000, 0.0000676700000000 ] - [ -0.0001650600000000, 0.0057711400000000, -0.0001942500000000 ] - [ 0.0007852000000000, 0.0004748900000000, -0.0004875100000000 ] - [ -0.0010058900000000, -0.0007250300000000, -0.0000925000000000 ] - [ 0.0033899200000000, -0.0009166900000000, 0.0029455900000000 ] - [ -0.0074890100000000, -0.0165411200000000, 0.0012420900000000 ] - [ 0.0008625300000000, -0.0004905800000000, 0.0006555900000000 ] - [ 0.0004458000000000, 0.0004461800000000, -0.0003314500000000 ] - [ 0.0004916400000000, 0.0001869500000000, -0.0004645900000000 ] - [ -0.0091438000000000, -0.0039316600000000, -0.0006960200000000 ] - [ 0.0005058600000000, -0.0003044700000000, -0.0002655700000000 ] - [ -0.0002268200000000, 0.0005998300000000, -0.0008987200000000 ] - [ 0.0006709600000000, 0.0002764200000000, 0.0002549200000000 ] - [ -0.0255870600000000, 0.1478241800000000, -0.0503999300000000 ] - [ 0.0019475800000000, 0.0000260700000000, 0.0004426700000000 ] - [ 0.0097309900000000, -0.0056274000000000, 0.0075917500000000 ] - [ 0.0003187900000000, 0.0008327800000000, 0.0004083300000000 ] - [ -0.0014919900000000, -0.0010908500000000, 0.0001239500000000 ] - [ -0.0003551100000000, -0.0000337200000000, 0.0001934300000000 ] - [ 0.0004252600000000, -0.0012110200000000, -0.0003357700000000 ] - [ -0.0001409100000000, -0.0004705200000000, -0.0001410700000000 ] - [ -0.0023914100000000, -0.0011155700000000, -0.0003406800000000 ] - [ -0.0002097200000000, -0.0003699100000000, -0.0002733000000000 ] - [ 0.0013109600000000, 0.0037364400000000, 0.0002735600000000 ] - [ 0.0060867700000000, 0.0034961200000000, 0.0014632700000000 ] - [ -0.0003322700000000, 0.0014533600000000, 0.0007937900000000 ] - [ 0.0004928400000000, 0.0002514700000000, -0.0000018300000000 ] - [ -0.0453957100000000, 0.1137835600000000, 0.0629690400000000 ] - [ 0.0011446600000000, -0.0002962700000000, 0.0002635100000000 ] - [ 0.1021364000000000, -0.3606037700000000, -0.0216568700000000 ] - [ -0.0005311900000000, 0.0007878400000000, -0.0001188300000000 ] - [ -0.0028020600000000, 0.0020141800000000, 0.0002880200000000 ] - [ 0.0010886900000000, 0.0031537400000000, 0.0003678600000000 ] - [ -0.0210957500000000, 0.0173182200000000, -0.0055251700000000 ] - [ -0.0002370100000000, -0.0001386100000000, 0.0000972400000000 ] - [ 0.0060535900000000, 0.0176782700000000, 0.0213486700000000 ] - [ -0.0005606300000000, 0.0000433000000000, -0.0005739200000000 ] - [ -0.0024647000000000, -0.0022614000000000, -0.0013644100000000 ] - [ -0.0007283100000000, -0.0022550800000000, 0.0000982600000000 ] - [ -0.0008729300000000, -0.0004598100000000, 0.0004421800000000 ] - [ 0.0001211000000000, -0.0004744000000000, 0.0004068500000000 ] - [ -0.0008679400000000, 0.0004382400000000, 0.0001616400000000 ] - [ -0.0003797000000000, 0.0002362200000000, 0.0002795500000000 ] - [ 0.0014657000000000, 0.0057662400000000, -0.0020373300000000 ] - [ 0.0000746100000000, 0.0004046200000000, -0.0000742000000000 ] - [ 0.0000580900000000, 0.0001173600000000, -0.0015463400000000 ] - [ -0.0010391900000000, -0.0001644000000000, -0.0001581400000000 ] - [ 0.0003214000000000, 0.0019618400000000, 0.0004058100000000 ] - [ -0.0000052100000000, 0.0009200300000000, -0.0000127100000000 ] - [ -0.0153356100000000, 0.0304949200000000, 0.0036264900000000 ] - [ -0.0002247900000000, 0.0000449800000000, -0.0000304800000000 ] - [ 0.0030993900000000, -0.0025353800000000, 0.0002763100000000 ] - [ -0.0013786400000000, -0.0004492900000000, 0.0000924000000000 ] - [ -0.0000131900000000, -0.0002503500000000, 0.0003703900000000 ] - [ -0.0001307800000000, -0.0006105400000000, -0.0000382700000000 ] - [ -0.0000445600000000, 0.0004248900000000, -0.0000009600000000 ] - [ -0.0010678300000000, 0.0006841400000000, -0.0004547600000000 ] - [ -0.0036559000000000, 0.0049422200000000, -0.0148703300000000 ] - [ -0.0011673200000000, -0.0006420400000000, 0.0003637100000000 ] - [ 0.0016013500000000, -0.0002504600000000, 0.0003280900000000 ] - [ 0.0004435800000000, -0.0004229400000000, -0.0003713600000000 ] - [ 0.0170245300000000, 0.0427186900000000, -0.0039065900000000 ] - [ -0.0002546600000000, 0.0005433400000000, -0.0001059800000000 ] - [ -0.0012152200000000, -0.0008329200000000, -0.0004124400000000 ] - [ -0.0018658200000000, -0.0016805000000000, -0.0016129600000000 ] - [ 0.0003550900000000, -0.0011528400000000, 0.0000124400000000 ] - [ -0.0006768500000000, 0.0002817100000000, 0.0001019200000000 ] - [ 0.0001720300000000, 0.0000893400000000, -0.0000439000000000 ] - [ -0.0009326500000000, -0.0008518300000000, 0.0000678800000000 ] - [ -0.0005532600000000, 0.0002735600000000, 0.0000404500000000 ] - [ -0.0004062000000000, 0.0000302900000000, 0.0006231100000000 ] - [ -0.0080540300000000, -0.0050182200000000, 0.0052092500000000 ] - [ 0.0002291200000000, -0.0003943000000000, -0.0002839000000000 ] - [ 0.0013643400000000, 0.0022679400000000, 0.0004313400000000 ] - [ 0.0004812700000000, 0.0007387900000000, 0.0005855700000000 ] - [ -0.0002615800000000, -0.0010783900000000, -0.0011280200000000 ] - [ -0.0004891600000000, -0.0002312700000000, -0.0003819100000000 ] - [ -0.0005316900000000, 0.0000721900000000, -0.0000423300000000 ] - [ -0.0006279600000000, 0.0001616500000000, 0.0003174800000000 ] - [ -0.0002310100000000, -0.0003488000000000, 0.0033287800000000 ] - [ -0.0006914300000000, -0.0003637200000000, 0.0000520700000000 ] - [ 0.0054964500000000, 0.0038275100000000, -0.0007710200000000 ] - [ 0.0000418400000000, -0.0001591300000000, -0.0000035500000000 ] - [ 0.0012915700000000, 0.0038811000000000, -0.0002955300000000 ] - [ 0.0000720000000000, 0.0004721200000000, -0.0002370800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012989100000000, -0.0010104100000000, -0.0001059600000000 ] - [ -0.0004581900000000, -0.0000333200000000, -0.0001424500000000 ] - [ 0.0005964400000000, 0.0045820700000000, 0.0003156400000000 ] - [ -0.0002113100000000, 0.0000098500000000, 0.0000262300000000 ] - [ -0.0002206200000000, -0.0041863300000000, 0.0010463500000000 ] - [ -0.0004134400000000, -0.0001683400000000, -0.0002013200000000 ] - [ 0.0002120600000000, 0.0002986900000000, -0.0001043200000000 ] - [ -0.0003232100000000, 0.0006074000000000, 0.0005011400000000 ] - [ 0.0069759200000000, -0.0027937700000000, 0.0050562900000000 ] - [ -0.0009413000000000, -0.0004587000000000, 0.0005297700000000 ] - [ 0.0003378200000000, 0.0078885400000000, 0.0003309600000000 ] - [ -0.0006184600000000, 0.0003601900000000, 0.0001910800000000 ] - [ 0.0002885100000000, -0.0052765600000000, -0.0000535100000000 ] - [ -0.0006783400000000, 0.0000066800000000, 0.0002345400000000 ] - [ 0.0008874100000000, 0.0002485700000000, -0.0001618700000000 ] - [ -0.0034800900000000, 0.0004554300000000, -0.0031896300000000 ] - [ 0.0067641200000000, 0.0161114400000000, -0.0006705600000000 ] - [ -0.0016204800000000, 0.0000514800000000, -0.0000583300000000 ] - [ 0.0003060600000000, -0.0008876000000000, -0.0002690100000000 ] - [ 0.0002564600000000, -0.0006283000000000, -0.0001316400000000 ] - [ 0.0083828800000000, 0.0043895300000000, 0.0000827800000000 ] - [ -0.0012632700000000, 0.0007576600000000, -0.0003389200000000 ] - [ 0.0009782400000000, -0.0001608600000000, 0.0015013400000000 ] - [ 0.0000785300000000, 0.0001650500000000, 0.0003453300000000 ] - [ 0.0299321800000000, -0.1575446100000000, 0.0557889900000000 ] - [ -0.0001930800000000, -0.0002746800000000, 0.0001803200000000 ] - [ -0.0094833000000000, 0.0061149300000000, -0.0076869100000000 ] - [ -0.0000399200000000, -0.0003704400000000, -0.0004900900000000 ] - [ -0.0002686500000000, 0.0013396000000000, 0.0005133000000000 ] - [ -0.0014054700000000, 0.0002811500000000, 0.0004332400000000 ] - [ -0.0006904300000000, 0.0007255000000000, 0.0002780700000000 ] - [ -0.0001246900000000, -0.0000136300000000, 0.0000806400000000 ] - [ 0.0006329700000000, 0.0008767000000000, -0.0002827400000000 ] - [ -0.0015502300000000, 0.0001253600000000, -0.0003494900000000 ] - [ 0.0004520200000000, -0.0035032300000000, -0.0008978500000000 ] - [ -0.0044075000000000, -0.0032823500000000, -0.0021251100000000 ] - [ 0.0000706000000000, -0.0009627900000000, -0.0007317900000000 ] - [ -0.0007613200000000, 0.0002307600000000, 0.0000644000000000 ] - [ 0.0423509300000000, -0.1094519700000000, -0.0585022300000000 ] - [ -0.0008834400000000, -0.0001829800000000, -0.0002034400000000 ] - [ -0.1015702600000000, 0.3672545700000000, 0.0119775700000000 ] - [ 0.0003213800000000, 0.0007048600000000, -0.0000113200000000 ] - [ 0.0032700500000000, -0.0020659500000000, 0.0007280600000000 ] - [ -0.0006829000000000, -0.0031813200000000, 0.0006519200000000 ] - [ 0.0224833200000000, -0.0177259500000000, 0.0059182300000000 ] - [ 0.0013347200000000, -0.0000739900000000, 0.0002447200000000 ] - [ -0.0055699700000000, -0.0175670500000000, -0.0220834300000000 ] - [ 0.0010126300000000, 0.0000001400000000, -0.0004395900000000 ] - [ 0.0022641600000000, 0.0007814600000000, 0.0015069200000000 ] - [ 0.0005260200000000, 0.0007870500000000, 0.0000379600000000 ] - [ 0.0001638100000000, -0.0001124100000000, -0.0004716300000000 ] - [ -0.0008275100000000, -0.0000958400000000, -0.0004328900000000 ] - [ -0.0002294900000000, -0.0002205200000000, 0.0001763900000000 ] - [ -0.0007201400000000, -0.0000179400000000, 0.0000562800000000 ] - [ -0.0007646300000000, -0.0052005600000000, 0.0020301200000000 ] - [ 0.0006295700000000, 0.0001698300000000, 0.0000521000000000 ] - [ -0.0011584700000000, -0.0003419200000000, 0.0012045600000000 ] - [ -0.0000569500000000, -0.0000519800000000, -0.0001820200000000 ] - [ -0.0001088000000000, -0.0004708300000000, -0.0002795900000000 ] - [ 0.0002155500000000, 0.0005713600000000, 0.0001424500000000 ] - [ 0.0157458000000000, -0.0307367200000000, -0.0035633300000000 ] - [ 0.0009357000000000, -0.0006214900000000, 0.0000583200000000 ] - [ -0.0019323500000000, 0.0009441400000000, -0.0002844800000000 ] - [ 0.0025860800000000, -0.0011440900000000, -0.0000949500000000 ] - [ 0.0002237800000000, -0.0012451000000000, -0.0005048300000000 ] - [ 0.0003427000000000, -0.0008803100000000, -0.0000937700000000 ] - [ -0.0011327000000000, 0.0011573800000000, -0.0000011300000000 ] - [ -0.0001065600000000, 0.0008979800000000, 0.0004477400000000 ] - [ 0.0021977700000000, -0.0059596100000000, 0.0157674300000000 ] - [ -0.0002983900000000, -0.0004638400000000, 0.0004864300000000 ] - [ -0.0001329500000000, -0.0008581500000000, -0.0011741800000000 ] - [ 0.0010256600000000, -0.0006865200000000, -0.0004769900000000 ] - [ -0.0161058600000000, -0.0418381800000000, 0.0039581300000000 ] - [ 0.0014333100000000, 0.0010436300000000, 0.0001107400000000 ] - [ -0.0002558400000000, 0.0019459200000000, -0.0004369500000000 ] - [ 0.0004274300000000, 0.0027841200000000, 0.0007784500000000 ] - [ -0.0010656800000000, 0.0017286300000000, 0.0000113100000000 ] - [ -0.0000276500000000, 0.0002938600000000, -0.0000778700000000 ] - [ -0.0013453400000000, -0.0016710400000000, 0.0000442900000000 ] - [ -0.0002414200000000, -0.0007326300000000, -0.0000644600000000 ] - [ 0.0001046100000000, -0.0002262800000000, 0.0009709300000000 ] - [ -0.0000386400000000, 0.0000168100000000, 0.0003911700000000 ] - [ 0.0093146200000000, 0.0051452800000000, -0.0056379900000000 ] - [ 0.0008698500000000, 0.0006135300000000, -0.0000545200000000 ] - [ 0.0000992100000000, -0.0011567600000000, 0.0004014700000000 ] - [ 0.0009889100000000, 0.0003706700000000, 0.0002605500000000 ] - [ -0.0001812800000000, 0.0010309100000000, 0.0001172600000000 ] - [ 0.0000449800000000, 0.0001883500000000, -0.0006348200000000 ] - [ -0.0004266300000000, 0.0006045800000000, 0.0000264700000000 ] - [ -0.0003278000000000, 0.0005158600000000, -0.0003363600000000 ] - [ -0.0007287100000000, -0.0003147200000000, -0.0033228500000000 ] - [ -0.0002658900000000, -0.0003120600000000, -0.0000390500000000 ] - [ -0.0044903400000000, -0.0044872200000000, 0.0007539500000000 ] - [ 0.0009159000000000, -0.0005194100000000, -0.0000077200000000 ] - [ -0.0003379900000000, -0.0032094100000000, 0.0003375100000000 ] - [ 0.0008883100000000, 0.0002031700000000, 0.0002540300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011355800000000, 0.0006480700000000, -0.0015570800000000 ] - [ -0.0002104900000000, 0.0000645100000000, -0.0000782800000000 ] - [ 0.0002503100000000, 0.0003365500000000, 0.0001290200000000 ] - [ 0.0000630400000000, -0.0000484900000000, 0.0001186300000000 ] - [ 0.0017016000000000, -0.0000479700000000, 0.0007956400000000 ] - [ -0.0003122800000000, -0.0000338500000000, 0.0000732400000000 ] - [ -0.0003104000000000, 0.0000246500000000, -0.0003202600000000 ] - [ 0.0006772200000000, -0.0005505100000000, -0.0007506800000000 ] - [ -0.0072125900000000, -0.0051323400000000, -0.0027262000000000 ] - [ 0.0004268900000000, -0.0003812800000000, 0.0002846200000000 ] - [ -0.0001780800000000, 0.0012458200000000, -0.0034975600000000 ] - [ -0.0000158000000000, 0.0001886700000000, -0.0001049500000000 ] - [ -0.0028939000000000, -0.0009815600000000, -0.0041946300000000 ] - [ 0.0005022300000000, 0.0004023100000000, -0.0007256200000000 ] - [ 0.0008139100000000, 0.0001017800000000, 0.0000828800000000 ] - [ -0.0016577700000000, 0.0004422500000000, 0.0001472500000000 ] - [ -0.0010823500000000, -0.0001327400000000, 0.0027692600000000 ] - [ -0.0003672700000000, -0.0002359200000000, 0.0005608400000000 ] - [ 0.0008684900000000, -0.0003735200000000, -0.0011441900000000 ] - [ -0.0008375700000000, -0.0003539900000000, -0.0013669800000000 ] - [ -0.0049280500000000, -0.0002645600000000, 0.0044981400000000 ] - [ 0.0000791800000000, -0.0004285900000000, 0.0002752200000000 ] - [ 0.0007021200000000, -0.0000375700000000, -0.0042194400000000 ] - [ 0.0003075600000000, 0.0002339800000000, 0.0001866600000000 ] - [ 0.0137544900000000, -0.0601186700000000, 0.0659583100000000 ] - [ 0.0009443400000000, -0.0000513100000000, 0.0005861400000000 ] - [ -0.0000520100000000, -0.0006662400000000, 0.0037400300000000 ] - [ -0.0000030400000000, 0.0010168300000000, 0.0016582200000000 ] - [ -0.0005730300000000, 0.0004873500000000, -0.0018862900000000 ] - [ -0.0008917900000000, 0.0001264900000000, -0.0000383400000000 ] - [ -0.0003833300000000, -0.0001432200000000, -0.0021427600000000 ] - [ -0.0004942800000000, -0.0007397100000000, -0.0009447700000000 ] - [ 0.0008634800000000, 0.0008940900000000, -0.0039218300000000 ] - [ -0.0012546100000000, 0.0000078400000000, -0.0008312100000000 ] - [ -0.0000320600000000, 0.0006395900000000, 0.0017542900000000 ] - [ 0.0082628300000000, 0.0033403200000000, 0.0076758600000000 ] - [ -0.0003903000000000, 0.0007358000000000, -0.0053802000000000 ] - [ -0.0000704800000000, 0.0002623800000000, -0.0003215700000000 ] - [ -0.0366320000000000, 0.0683337300000000, 0.0878731400000000 ] - [ 0.0002042800000000, -0.0002559600000000, 0.0005233300000000 ] - [ 0.0372952700000000, -0.0169226600000000, -0.1624499200000000 ] - [ -0.0001168800000000, 0.0006949900000000, -0.0002527400000000 ] - [ -0.0000334700000000, 0.0001347000000000, -0.0002787000000000 ] - [ 0.0011576500000000, -0.0002579700000000, -0.0005341700000000 ] - [ -0.0048591600000000, 0.0047720000000000, -0.0065556700000000 ] - [ 0.0005606600000000, -0.0001266900000000, -0.0002347200000000 ] - [ 0.0032727000000000, 0.0179220300000000, 0.0071347300000000 ] - [ -0.0001524100000000, 0.0001304900000000, -0.0005817200000000 ] - [ 0.0003319700000000, -0.0007188900000000, -0.0009545100000000 ] - [ -0.0014187100000000, -0.0021873000000000, -0.0009531300000000 ] - [ -0.0007495000000000, 0.0000218300000000, 0.0008782700000000 ] - [ 0.0005936700000000, -0.0000447900000000, 0.0008153800000000 ] - [ -0.0004673800000000, 0.0001694800000000, 0.0006619500000000 ] - [ -0.0006431200000000, 0.0001417600000000, 0.0008125500000000 ] - [ 0.0026879400000000, 0.0014178800000000, -0.0020873700000000 ] - [ 0.0002470000000000, 0.0003607600000000, -0.0003041300000000 ] - [ -0.0011841200000000, -0.0012969300000000, 0.0030421700000000 ] - [ -0.0004138400000000, -0.0001117900000000, -0.0000638800000000 ] - [ -0.0003834000000000, 0.0004060400000000, 0.0010956000000000 ] - [ 0.0002848100000000, 0.0008252200000000, 0.0002542400000000 ] - [ 0.0037563800000000, -0.0062384100000000, -0.0061327400000000 ] - [ 0.0002129300000000, -0.0002619600000000, -0.0002541400000000 ] - [ 0.0025249600000000, -0.0011659500000000, -0.0010550500000000 ] - [ -0.0022873800000000, -0.0003243000000000, -0.0009231900000000 ] - [ 0.0001543300000000, -0.0011843300000000, 0.0016857600000000 ] - [ 0.0001398300000000, -0.0007754300000000, 0.0001201200000000 ] - [ -0.0014268400000000, 0.0003443900000000, 0.0013009500000000 ] - [ 0.0000130200000000, 0.0006000400000000, 0.0002890200000000 ] - [ 0.0041464700000000, -0.0182529000000000, 0.0124793000000000 ] - [ -0.0008139900000000, -0.0006174000000000, 0.0003731500000000 ] - [ 0.0012396700000000, -0.0007384700000000, 0.0025560800000000 ] - [ 0.0007349600000000, -0.0005126100000000, -0.0000244500000000 ] - [ 0.0036127600000000, 0.0080901400000000, -0.0086681100000000 ] - [ 0.0005301900000000, 0.0007947400000000, -0.0001502100000000 ] - [ -0.0013938800000000, 0.0005161100000000, -0.0014980800000000 ] - [ 0.0012086500000000, -0.0001045300000000, -0.0039312500000000 ] - [ -0.0009049900000000, 0.0006296400000000, 0.0030490100000000 ] - [ -0.0004088700000000, 0.0003031800000000, 0.0002082100000000 ] - [ -0.0012042100000000, -0.0006610300000000, 0.0025230000000000 ] - [ -0.0005717400000000, -0.0007861500000000, 0.0001377400000000 ] - [ 0.0002064800000000, -0.0000762700000000, 0.0032755800000000 ] - [ -0.0000409100000000, 0.0000036800000000, 0.0008818000000000 ] - [ -0.0177239200000000, 0.0047328100000000, 0.0044206500000000 ] - [ 0.0009576300000000, 0.0000693800000000, -0.0004986300000000 ] - [ 0.0010182800000000, 0.0010344600000000, 0.0016266400000000 ] - [ 0.0006230800000000, 0.0005300800000000, 0.0005551300000000 ] - [ 0.0012174400000000, -0.0005754700000000, 0.0022071400000000 ] - [ -0.0004883300000000, -0.0000253100000000, -0.0003424100000000 ] - [ -0.0001260300000000, 0.0003410000000000, 0.0006791900000000 ] - [ -0.0004724300000000, 0.0003295800000000, 0.0011042100000000 ] - [ -0.0007463200000000, 0.0020897400000000, 0.0058176300000000 ] - [ -0.0004470100000000, -0.0003319500000000, 0.0000441500000000 ] - [ -0.0007644600000000, -0.0021916900000000, -0.0026156700000000 ] - [ 0.0006075800000000, -0.0002805700000000, -0.0004478900000000 ] - [ -0.0004613900000000, 0.0004560100000000, -0.0017101400000000 ] - [ 0.0005943300000000, 0.0003546100000000, -0.0000646200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013041700000000, -0.0005546200000000, 0.0016290100000000 ] - [ 0.0000381600000000, 0.0000262700000000, 0.0001462300000000 ] - [ -0.0000731400000000, -0.0004368300000000, -0.0000727100000000 ] - [ 0.0001104600000000, -0.0000450300000000, -0.0000503700000000 ] - [ -0.0016981100000000, -0.0000654900000000, -0.0010030600000000 ] - [ 0.0001390500000000, -0.0000589400000000, -0.0001436900000000 ] - [ 0.0004849500000000, 0.0000702200000000, 0.0002538100000000 ] - [ -0.0005045300000000, 0.0006436900000000, 0.0006839000000000 ] - [ 0.0073318300000000, 0.0046669200000000, 0.0029464900000000 ] - [ -0.0003113300000000, -0.0001010800000000, -0.0000311700000000 ] - [ 0.0000643200000000, -0.0007581400000000, 0.0037629100000000 ] - [ -0.0000991300000000, 0.0002950000000000, 0.0003656100000000 ] - [ 0.0029980700000000, 0.0014587100000000, 0.0039401500000000 ] - [ -0.0003861800000000, 0.0000811300000000, 0.0004703400000000 ] - [ -0.0009282700000000, -0.0005869800000000, -0.0003486100000000 ] - [ 0.0015382000000000, -0.0009324500000000, -0.0004211000000000 ] - [ 0.0002909900000000, -0.0003099600000000, -0.0021330700000000 ] - [ -0.0003807700000000, -0.0002063400000000, 0.0000422400000000 ] - [ -0.0001210800000000, -0.0000669100000000, 0.0005441000000000 ] - [ 0.0015967400000000, -0.0000868300000000, 0.0007670400000000 ] - [ 0.0041692800000000, 0.0007191400000000, -0.0050800400000000 ] - [ -0.0008313900000000, 0.0008686100000000, -0.0008745300000000 ] - [ 0.0000486200000000, 0.0004800500000000, 0.0048294600000000 ] - [ 0.0004444900000000, 0.0002074200000000, 0.0004142300000000 ] - [ -0.0116533000000000, 0.0585766100000000, -0.0656469000000000 ] - [ 0.0008156400000000, -0.0001928900000000, 0.0000387400000000 ] - [ 0.0003533100000000, 0.0011342100000000, -0.0037611300000000 ] - [ 0.0002603400000000, -0.0005295600000000, -0.0017134400000000 ] - [ -0.0011802900000000, -0.0002418100000000, 0.0025065100000000 ] - [ -0.0008721200000000, 0.0001187400000000, 0.0006599700000000 ] - [ 0.0001085800000000, -0.0003383200000000, 0.0020778800000000 ] - [ 0.0002315200000000, 0.0002580100000000, 0.0008827400000000 ] - [ -0.0026348600000000, -0.0011447300000000, 0.0033018600000000 ] - [ -0.0005052600000000, -0.0002528600000000, 0.0002088300000000 ] - [ 0.0018014500000000, -0.0003921600000000, -0.0023743300000000 ] - [ -0.0065041600000000, -0.0030822400000000, -0.0082770900000000 ] - [ 0.0001291200000000, -0.0002600900000000, 0.0054579600000000 ] - [ -0.0001961300000000, 0.0002220500000000, 0.0003844200000000 ] - [ 0.0354273200000000, -0.0660505300000000, -0.0869713600000000 ] - [ 0.0000631500000000, -0.0002279900000000, -0.0004589800000000 ] - [ -0.0364136800000000, 0.0167500700000000, 0.1615772300000000 ] - [ -0.0000946400000000, 0.0007955000000000, 0.0001255200000000 ] - [ 0.0004667700000000, -0.0001734500000000, 0.0012914000000000 ] - [ -0.0006981000000000, 0.0002102600000000, 0.0015508800000000 ] - [ 0.0059170800000000, -0.0049317000000000, 0.0068844200000000 ] - [ 0.0005389600000000, -0.0000913300000000, 0.0005755700000000 ] - [ -0.0027614200000000, -0.0176128000000000, -0.0080584600000000 ] - [ 0.0005940400000000, -0.0000864100000000, -0.0004332800000000 ] - [ -0.0005468800000000, -0.0007723100000000, 0.0010760800000000 ] - [ 0.0012080600000000, 0.0006915400000000, 0.0010783700000000 ] - [ 0.0000467000000000, -0.0005986300000000, -0.0008988800000000 ] - [ -0.0013069900000000, -0.0005331400000000, -0.0008411000000000 ] - [ -0.0006261000000000, 0.0000457600000000, -0.0003203800000000 ] - [ -0.0004569200000000, 0.0000746400000000, -0.0004703500000000 ] - [ -0.0019728000000000, -0.0008346800000000, 0.0020513600000000 ] - [ 0.0004616000000000, 0.0002161300000000, 0.0002787500000000 ] - [ 0.0000899300000000, 0.0010909400000000, -0.0033942700000000 ] - [ -0.0006839300000000, -0.0001037600000000, -0.0002770800000000 ] - [ 0.0005972100000000, 0.0010846300000000, -0.0009629700000000 ] - [ -0.0000753100000000, 0.0006639600000000, -0.0001245600000000 ] - [ -0.0030476300000000, 0.0056625900000000, 0.0061375400000000 ] - [ 0.0004943000000000, -0.0003145000000000, 0.0002790900000000 ] - [ -0.0013510300000000, -0.0004225400000000, 0.0010460400000000 ] - [ 0.0034522300000000, -0.0012593400000000, 0.0009188200000000 ] - [ 0.0000532300000000, -0.0003026000000000, -0.0018158100000000 ] - [ 0.0000711200000000, -0.0007140900000000, -0.0002483500000000 ] - [ 0.0002563600000000, 0.0012440700000000, -0.0013018100000000 ] - [ -0.0011926200000000, 0.0009892200000000, -0.0002888400000000 ] - [ -0.0055351100000000, 0.0168677700000000, -0.0113976600000000 ] - [ -0.0006560900000000, -0.0004906600000000, 0.0004772500000000 ] - [ 0.0002342900000000, -0.0003698900000000, -0.0034103900000000 ] - [ 0.0007335600000000, -0.0005948400000000, -0.0008271100000000 ] - [ -0.0024212600000000, -0.0063858100000000, 0.0086698300000000 ] - [ 0.0006451000000000, 0.0007903900000000, 0.0001521000000000 ] - [ -0.0000794200000000, 0.0005899600000000, 0.0006479000000000 ] - [ -0.0026723200000000, 0.0012118400000000, 0.0030797000000000 ] - [ 0.0001969800000000, -0.0000505300000000, -0.0030285100000000 ] - [ -0.0002984300000000, 0.0002734100000000, -0.0001849600000000 ] - [ 0.0000225300000000, -0.0009285800000000, -0.0025216700000000 ] - [ -0.0006041900000000, -0.0007999000000000, -0.0001357300000000 ] - [ -0.0006437900000000, 0.0001185100000000, -0.0022608300000000 ] - [ -0.0004051200000000, 0.0000405100000000, 0.0001315200000000 ] - [ 0.0185835000000000, -0.0044512400000000, -0.0047014500000000 ] - [ 0.0001381400000000, 0.0001468300000000, 0.0001574400000000 ] - [ 0.0004499800000000, 0.0000693300000000, -0.0007679400000000 ] - [ 0.0008475100000000, 0.0005779900000000, 0.0002973500000000 ] - [ -0.0016741000000000, 0.0005364800000000, -0.0032312600000000 ] - [ 0.0000455800000000, -0.0000181300000000, -0.0006690800000000 ] - [ -0.0008296300000000, 0.0003348200000000, -0.0007014700000000 ] - [ -0.0004877300000000, 0.0003458900000000, -0.0011276200000000 ] - [ -0.0002068500000000, -0.0027961100000000, -0.0058372700000000 ] - [ -0.0005113900000000, -0.0003450400000000, -0.0000239400000000 ] - [ 0.0017167200000000, 0.0015091700000000, 0.0026012800000000 ] - [ 0.0003507400000000, -0.0003938200000000, 0.0004285500000000 ] - [ 0.0014173000000000, 0.0002189100000000, 0.0017129400000000 ] - [ 0.0003625700000000, 0.0003206900000000, 0.0000832500000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014492700000000, 0.0001322800000000, 0.0003327500000000 ] - [ 0.0018229000000000, -0.0006191100000000, -0.0004352800000000 ] - [ -0.0017018300000000, -0.0006694600000000, -0.0014951600000000 ] - [ -0.0018336500000000, 0.0006220700000000, 0.0020520700000000 ] - [ 0.0007277500000000, 0.0011009300000000, -0.0019524900000000 ] - [ -0.0014170700000000, -0.0003101400000000, 0.0005583300000000 ] - [ 0.0035070700000000, -0.0001434500000000, 0.0004252300000000 ] - [ -0.0011975200000000, 0.0000505800000000, -0.0000541100000000 ] - [ -0.0029192100000000, 0.0000294200000000, -0.0007288400000000 ] - [ 0.0077808100000000, -0.0054772700000000, 0.0053106300000000 ] - [ -0.0035569600000000, 0.0002081600000000, 0.0037626100000000 ] - [ -0.0023885100000000, 0.0006057200000000, -0.0022935700000000 ] - [ 0.0009731700000000, 0.0007193900000000, 0.0018330600000000 ] - [ -0.0018479600000000, -0.0000513400000000, -0.0011642000000000 ] - [ 0.0114922800000000, 0.0012998800000000, 0.0012072600000000 ] - [ -0.0027985300000000, -0.0003561300000000, -0.0002520400000000 ] - [ -0.0036065300000000, -0.0008117700000000, 0.0004055200000000 ] - [ 0.0495278300000000, -0.0072472300000000, 0.0141310000000000 ] - [ 0.0029837500000000, 0.0000979000000000, 0.0002724200000000 ] - [ -0.0013182300000000, -0.0002346300000000, -0.0004161000000000 ] - [ -0.0015091300000000, -0.0068657300000000, 0.0008800700000000 ] - [ -0.0029390400000000, 0.0004883800000000, -0.0005217700000000 ] - [ 0.0001137400000000, 0.0002118900000000, 0.0000317900000000 ] - [ -0.0001506600000000, 0.0001548400000000, 0.0010795900000000 ] - [ -0.0113179500000000, 0.0022730300000000, 0.0043595800000000 ] - [ -0.0072394300000000, -0.0073453000000000, -0.0048788300000000 ] - [ 0.1513838700000000, -0.0544125800000000, -0.0933499700000000 ] - [ -0.0058773800000000, 0.0010846600000000, -0.0008677000000000 ] - [ -0.0038103100000000, 0.0001189000000000, 0.0004090000000000 ] - [ 0.0027710200000000, -0.0004670400000000, 0.0025985800000000 ] - [ 0.0042673000000000, 0.0002324900000000, -0.0006525300000000 ] - [ -0.0032827600000000, -0.0002958800000000, 0.0000786300000000 ] - [ 0.0005543700000000, -0.0014720500000000, 0.0003914600000000 ] - [ -0.0029812200000000, 0.0000282800000000, -0.0005579700000000 ] - [ 0.0109197200000000, 0.0042120100000000, -0.0028830300000000 ] - [ -0.0037847700000000, -0.0004695900000000, -0.0001396200000000 ] - [ -0.0022076200000000, 0.0003550200000000, 0.0002713600000000 ] - [ 0.0006218800000000, 0.0006026300000000, 0.0005025300000000 ] - [ -0.0046570800000000, 0.0007236800000000, 0.0009899400000000 ] - [ 0.0007514600000000, 0.0055830300000000, -0.0071336600000000 ] - [ 0.0036428400000000, -0.0022803800000000, -0.0003106400000000 ] - [ 0.0009776600000000, 0.0016332100000000, 0.0008684900000000 ] - [ -0.2856463200000000, 0.0860066100000000, 0.0940470700000000 ] - [ 0.0037074800000000, -0.0005236200000000, 0.0002018500000000 ] - [ 0.0247683400000000, -0.0147688700000000, -0.0065473600000000 ] - [ 0.0075650400000000, -0.0001662900000000, 0.0008353500000000 ] - [ 0.0024711100000000, 0.0013897500000000, -0.0010506800000000 ] - [ 0.0024635300000000, -0.0005322200000000, 0.0016201900000000 ] - [ -0.0078676300000000, -0.0066134600000000, -0.0029938600000000 ] - [ 0.0022082200000000, 0.0000451600000000, 0.0004377900000000 ] - [ -0.0034853900000000, -0.0009582700000000, 0.0000287700000000 ] - [ 0.0012699400000000, -0.0000608400000000, 0.0002237100000000 ] - [ -0.0042736600000000, 0.0009447200000000, -0.0005773500000000 ] - [ 0.0017004100000000, -0.0003042800000000, 0.0001716200000000 ] - [ 0.0113252900000000, 0.0037253400000000, -0.0178387000000000 ] - [ 0.0025302800000000, 0.0002832200000000, 0.0000689900000000 ] - [ -0.0000893700000000, 0.0001293000000000, 0.0001005900000000 ] - [ 0.0001523500000000, -0.0001773800000000, -0.0008089100000000 ] - [ -0.0010260800000000, 0.0007830200000000, 0.0015088300000000 ] - [ 0.0013662900000000, 0.0010085400000000, -0.0002059600000000 ] - [ 0.0026979700000000, -0.0006932300000000, 0.0004322100000000 ] - [ 0.0121924400000000, -0.0183866000000000, 0.0017982000000000 ] - [ -0.0028706200000000, 0.0009443400000000, 0.0000043200000000 ] - [ 0.0030973500000000, -0.0014433200000000, -0.0002305700000000 ] - [ 0.0011742500000000, -0.0009266900000000, -0.0002441300000000 ] - [ -0.0006728300000000, -0.0010701900000000, -0.0004858500000000 ] - [ -0.0030945100000000, 0.0013309600000000, -0.0006069200000000 ] - [ 0.0010247400000000, 0.0003863800000000, 0.0002555600000000 ] - [ 0.0016591600000000, -0.0016400800000000, -0.0026335500000000 ] - [ 0.0012922100000000, 0.0009325000000000, 0.0035640300000000 ] - [ 0.0001414100000000, 0.0002553000000000, -0.0020306200000000 ] - [ 0.0017658500000000, -0.0007063700000000, 0.0001984200000000 ] - [ 0.0056372300000000, 0.0020423100000000, 0.0005154500000000 ] - [ 0.0324519800000000, 0.0138447900000000, 0.0028364800000000 ] - [ -0.0059035700000000, -0.0004843300000000, 0.0011874400000000 ] - [ 0.0013221800000000, 0.0006529000000000, -0.0006144500000000 ] - [ 0.0004200100000000, 0.0000280900000000, -0.0004342400000000 ] - [ -0.0005713000000000, 0.0004443700000000, 0.0000424100000000 ] - [ 0.0009239500000000, -0.0006346100000000, -0.0008481700000000 ] - [ -0.0012142000000000, -0.0006030400000000, -0.0000100400000000 ] - [ -0.0012671000000000, -0.0001964800000000, -0.0005382400000000 ] - [ 0.0011740900000000, -0.0001162800000000, 0.0010035000000000 ] - [ 0.0040909200000000, 0.0006887700000000, -0.0004815700000000 ] - [ -0.0049108300000000, -0.0027362800000000, 0.0014005300000000 ] - [ 0.0020926900000000, 0.0007150400000000, 0.0005146700000000 ] - [ -0.0004045100000000, -0.0003814800000000, -0.0052987800000000 ] - [ 0.0014312600000000, 0.0001018400000000, -0.0005461000000000 ] - [ -0.0021137000000000, 0.0003528800000000, -0.0015112300000000 ] - [ -0.0018599300000000, 0.0002063000000000, -0.0006280100000000 ] - [ 0.0005521300000000, 0.0003312100000000, 0.0001498300000000 ] - [ 0.0000651400000000, -0.0004276600000000, 0.0007660300000000 ] - [ 0.0001257200000000, -0.0000723200000000, -0.0013081000000000 ] - [ 0.0033538500000000, 0.0056310300000000, 0.0009023400000000 ] - [ 0.0021783100000000, -0.0004970700000000, -0.0002431400000000 ] - [ 0.0020229800000000, 0.0004590800000000, -0.0000670300000000 ] - [ 0.0038286600000000, -0.0015818300000000, 0.0113029200000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012756600000000, -0.0000403500000000, -0.0002668500000000 ] - [ -0.0019864700000000, 0.0007125000000000, 0.0005091400000000 ] - [ 0.0018752800000000, 0.0005812600000000, 0.0015713900000000 ] - [ 0.0020043300000000, -0.0007109600000000, -0.0019757400000000 ] - [ -0.0009120100000000, -0.0011996200000000, 0.0018940200000000 ] - [ 0.0012467500000000, 0.0002155000000000, -0.0006232700000000 ] - [ -0.0033371300000000, 0.0002371300000000, -0.0004857800000000 ] - [ 0.0013724500000000, 0.0000441300000000, -0.0000161800000000 ] - [ 0.0030359700000000, -0.0005137900000000, 0.0009940200000000 ] - [ -0.0075773800000000, 0.0050455700000000, -0.0051163900000000 ] - [ 0.0034372400000000, 0.0002777800000000, -0.0035103000000000 ] - [ 0.0022844600000000, -0.0001202000000000, 0.0025446700000000 ] - [ -0.0008821700000000, -0.0002344100000000, -0.0020867500000000 ] - [ 0.0019669900000000, 0.0005333000000000, 0.0009018600000000 ] - [ -0.0115769800000000, -0.0017360100000000, -0.0014406400000000 ] - [ 0.0026845400000000, -0.0001269500000000, -0.0000023600000000 ] - [ 0.0028580900000000, 0.0003748800000000, 0.0001929900000000 ] - [ -0.0464563000000000, 0.0056869300000000, -0.0116595600000000 ] - [ -0.0022311500000000, -0.0005367300000000, -0.0008749600000000 ] - [ 0.0020698200000000, -0.0002077200000000, -0.0001849700000000 ] - [ 0.0007349600000000, 0.0073238300000000, -0.0014871700000000 ] - [ 0.0021902800000000, -0.0000447600000000, -0.0000813200000000 ] - [ 0.0006306700000000, 0.0002293700000000, 0.0005723900000000 ] - [ 0.0009088600000000, 0.0002866800000000, -0.0004777000000000 ] - [ 0.0131229100000000, -0.0025189100000000, -0.0037702300000000 ] - [ 0.0090079400000000, 0.0070792000000000, 0.0054837400000000 ] - [ -0.1560969800000000, 0.0583947000000000, 0.0991021700000000 ] - [ 0.0061357600000000, -0.0005934300000000, 0.0007964500000000 ] - [ 0.0020459300000000, 0.0001261500000000, 0.0002166500000000 ] - [ -0.0045268400000000, 0.0007117000000000, -0.0019935900000000 ] - [ -0.0045462700000000, -0.0007239300000000, 0.0005774700000000 ] - [ 0.0030211400000000, -0.0001895500000000, -0.0001396500000000 ] - [ -0.0023338700000000, 0.0012277200000000, -0.0010187900000000 ] - [ 0.0012268800000000, -0.0002707000000000, -0.0000646800000000 ] - [ -0.0091343200000000, -0.0039038300000000, 0.0022475400000000 ] - [ 0.0055482000000000, 0.0007106000000000, -0.0004849800000000 ] - [ 0.0019354000000000, 0.0001299700000000, -0.0002073200000000 ] - [ -0.0008690600000000, -0.0001151700000000, -0.0004431800000000 ] - [ 0.0049194000000000, -0.0012201000000000, -0.0009385400000000 ] - [ -0.0004555800000000, -0.0060775400000000, 0.0071851100000000 ] - [ -0.0038742000000000, 0.0037962500000000, 0.0001831200000000 ] - [ -0.0011908200000000, -0.0001328800000000, -0.0009944300000000 ] - [ 0.2868556800000000, -0.0885994700000000, -0.1009842900000000 ] - [ -0.0032625700000000, 0.0004770300000000, 0.0008136000000000 ] - [ -0.0240149000000000, 0.0148279000000000, 0.0069624300000000 ] - [ -0.0064350300000000, -0.0000452900000000, -0.0004901700000000 ] - [ -0.0020161500000000, -0.0013427800000000, 0.0000418900000000 ] - [ -0.0020241400000000, 0.0005768200000000, -0.0026290500000000 ] - [ 0.0077343500000000, 0.0050037800000000, 0.0030473800000000 ] - [ -0.0024160700000000, -0.0015332600000000, -0.0003027700000000 ] - [ 0.0027846300000000, 0.0003800700000000, -0.0000410600000000 ] - [ -0.0019778200000000, -0.0005139500000000, -0.0002491600000000 ] - [ 0.0031768800000000, -0.0007271300000000, 0.0009192200000000 ] - [ -0.0027971500000000, 0.0005192600000000, 0.0001686900000000 ] - [ -0.0106620100000000, -0.0031918700000000, 0.0180506100000000 ] - [ -0.0018254800000000, 0.0002882600000000, -0.0000870400000000 ] - [ -0.0009980600000000, -0.0003426800000000, -0.0004428700000000 ] - [ -0.0012564400000000, -0.0000392300000000, 0.0004655700000000 ] - [ 0.0012459700000000, 0.0007074600000000, -0.0013754000000000 ] - [ -0.0011582800000000, 0.0004796000000000, 0.0003343200000000 ] - [ -0.0019912100000000, 0.0001190300000000, -0.0004067200000000 ] - [ -0.0113952200000000, 0.0176404700000000, -0.0017538900000000 ] - [ 0.0040679100000000, -0.0025532900000000, -0.0000086000000000 ] - [ -0.0019234700000000, -0.0001409100000000, 0.0002309900000000 ] - [ -0.0009616200000000, -0.0005645600000000, 0.0001134600000000 ] - [ 0.0008786000000000, -0.0004187700000000, 0.0003566500000000 ] - [ 0.0019317300000000, 0.0002544700000000, 0.0006131800000000 ] - [ -0.0022019400000000, 0.0011994600000000, -0.0002574900000000 ] - [ -0.0031306300000000, 0.0005335700000000, 0.0035093000000000 ] - [ -0.0027624500000000, -0.0020333000000000, -0.0026955600000000 ] - [ 0.0013347700000000, -0.0013670600000000, 0.0011852200000000 ] - [ -0.0002991500000000, -0.0004016000000000, -0.0010464800000000 ] - [ -0.0044813800000000, -0.0004636600000000, -0.0005132500000000 ] - [ -0.0307600200000000, -0.0120899300000000, -0.0027958000000000 ] - [ 0.0044335600000000, 0.0015683700000000, -0.0020432200000000 ] - [ -0.0027926000000000, 0.0004568400000000, -0.0002361700000000 ] - [ -0.0011221800000000, 0.0005483400000000, 0.0004579700000000 ] - [ -0.0001419000000000, 0.0001312800000000, -0.0000164000000000 ] - [ -0.0020959500000000, -0.0009496900000000, 0.0008493900000000 ] - [ 0.0000325200000000, -0.0009838000000000, 0.0000135500000000 ] - [ 0.0008323500000000, 0.0002413600000000, 0.0015552900000000 ] - [ -0.0016235700000000, 0.0001608100000000, 0.0000123000000000 ] - [ -0.0029954200000000, -0.0004712700000000, 0.0001435400000000 ] - [ 0.0059808700000000, 0.0029381500000000, -0.0017355000000000 ] - [ -0.0006219900000000, 0.0003918600000000, 0.0003333800000000 ] - [ 0.0018553400000000, 0.0014843200000000, 0.0061405300000000 ] - [ -0.0018735800000000, -0.0001440700000000, -0.0004709400000000 ] - [ 0.0016559800000000, -0.0003925900000000, 0.0005059000000000 ] - [ 0.0009020100000000, 0.0004675100000000, 0.0006051400000000 ] - [ -0.0015112100000000, 0.0003449900000000, -0.0001693000000000 ] - [ -0.0010208700000000, -0.0002485600000000, -0.0007505800000000 ] - [ -0.0010903900000000, -0.0006037100000000, 0.0013244200000000 ] - [ -0.0024131500000000, -0.0063701100000000, -0.0009288100000000 ] - [ -0.0012198700000000, -0.0001791700000000, 0.0002223200000000 ] - [ -0.0010648300000000, 0.0002151100000000, 0.0000900200000000 ] - [ -0.0029168300000000, 0.0022479300000000, -0.0112631400000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001542800000000, 0.0000262000000000, -0.0001082000000000 ] - [ -0.0014858200000000, 0.0001867500000000, -0.0009610400000000 ] - [ -0.0002021700000000, 0.0008464100000000, 0.0001739800000000 ] - [ 0.0008989500000000, 0.0009402100000000, -0.0003704700000000 ] - [ 0.0003043100000000, -0.0017517100000000, 0.0008491300000000 ] - [ 0.0000589700000000, -0.0002899600000000, -0.0000827600000000 ] - [ -0.0002090400000000, -0.0004265300000000, 0.0009410900000000 ] - [ 0.0002489200000000, 0.0000629100000000, -0.0000638200000000 ] - [ 0.0006279900000000, -0.0003664600000000, 0.0005302200000000 ] - [ -0.0035798100000000, 0.0007206200000000, 0.0053756700000000 ] - [ -0.0007294900000000, 0.0011212300000000, 0.0002906500000000 ] - [ 0.0006250700000000, 0.0007515300000000, 0.0004864600000000 ] - [ 0.0013858300000000, -0.0014089500000000, -0.0016220200000000 ] - [ 0.0002887300000000, -0.0001522800000000, -0.0000023600000000 ] - [ -0.0019869100000000, 0.0051218300000000, 0.0002688200000000 ] - [ 0.0003301900000000, -0.0001917800000000, -0.0000842200000000 ] - [ 0.0001620700000000, 0.0004744100000000, 0.0000572400000000 ] - [ -0.0058997600000000, 0.0230297900000000, -0.0018281600000000 ] - [ 0.0002828400000000, -0.0018444100000000, -0.0009281300000000 ] - [ 0.0005772900000000, -0.0003138000000000, -0.0002821400000000 ] - [ -0.0023222100000000, -0.0022320300000000, 0.0029627100000000 ] - [ 0.0006188400000000, 0.0004128400000000, -0.0002043000000000 ] - [ 0.0005751200000000, 0.0002431700000000, 0.0004274300000000 ] - [ 0.0005267000000000, 0.0003168600000000, 0.0006402500000000 ] - [ 0.0067702900000000, -0.0019488800000000, -0.0021766200000000 ] - [ -0.0006880800000000, -0.0029881700000000, -0.0007596600000000 ] - [ -0.0581240200000000, 0.0644357100000000, 0.0481913200000000 ] - [ 0.0003902300000000, 0.0006898300000000, -0.0004366000000000 ] - [ -0.0006731100000000, 0.0002400800000000, 0.0003901200000000 ] - [ -0.0014257000000000, 0.0005524700000000, -0.0009875600000000 ] - [ -0.0000768000000000, 0.0018703100000000, 0.0002325100000000 ] - [ 0.0001798100000000, -0.0000619100000000, 0.0000181300000000 ] - [ -0.0020311600000000, 0.0006280400000000, -0.0012854400000000 ] - [ -0.0002898000000000, -0.0000198800000000, -0.0003147900000000 ] - [ -0.0028129300000000, -0.0152798100000000, 0.0015865600000000 ] - [ 0.0015111200000000, -0.0001500600000000, -0.0004244100000000 ] - [ -0.0002867500000000, -0.0002141800000000, -0.0001977400000000 ] - [ -0.0000703600000000, -0.0002537900000000, -0.0004660500000000 ] - [ -0.0000697500000000, -0.0014899100000000, -0.0005028200000000 ] - [ 0.0010594700000000, -0.0083079100000000, 0.0062785000000000 ] - [ -0.0012604900000000, 0.0027873700000000, 0.0000899400000000 ] - [ -0.0006167600000000, 0.0039030300000000, -0.0002986800000000 ] - [ 0.0879870800000000, -0.1152686400000000, -0.0653074100000000 ] - [ -0.0002790500000000, -0.0002186600000000, 0.0005694800000000 ] - [ -0.0146472800000000, 0.0029321200000000, 0.0036331900000000 ] - [ 0.0013382100000000, 0.0002725300000000, 0.0003039500000000 ] - [ 0.0007810900000000, 0.0007527200000000, -0.0008324100000000 ] - [ -0.0011429300000000, 0.0007459600000000, -0.0022527900000000 ] - [ -0.0060204100000000, 0.0169186100000000, 0.0179838500000000 ] - [ -0.0002461900000000, -0.0007261400000000, 0.0001743400000000 ] - [ -0.0006292700000000, -0.0001156100000000, -0.0017027000000000 ] - [ -0.0005275200000000, -0.0003114900000000, -0.0001263100000000 ] - [ 0.0001234600000000, -0.0006573100000000, 0.0005232800000000 ] - [ -0.0007805800000000, 0.0001003500000000, 0.0001690200000000 ] - [ 0.0084075100000000, -0.0049931700000000, -0.0072545500000000 ] - [ -0.0000188100000000, -0.0000832700000000, 0.0001287400000000 ] - [ 0.0000139300000000, 0.0000081400000000, -0.0000170300000000 ] - [ -0.0008515900000000, 0.0000106300000000, 0.0001772800000000 ] - [ 0.0004188800000000, -0.0003049400000000, 0.0006215400000000 ] - [ -0.0001059700000000, 0.0005379000000000, 0.0000702300000000 ] - [ 0.0003868700000000, -0.0002747800000000, -0.0000358400000000 ] - [ -0.0171683900000000, 0.0134658000000000, -0.0025141000000000 ] - [ -0.0001317900000000, 0.0046055100000000, -0.0009526900000000 ] - [ 0.0000312500000000, -0.0005420000000000, 0.0000438200000000 ] - [ 0.0001271800000000, -0.0007390600000000, -0.0000484800000000 ] - [ 0.0001968200000000, -0.0004938900000000, 0.0000262900000000 ] - [ 0.0009329700000000, 0.0019478300000000, 0.0019926800000000 ] - [ -0.0008879100000000, 0.0009057500000000, -0.0000537800000000 ] - [ -0.0019383400000000, -0.0007404600000000, 0.0019631200000000 ] - [ -0.0005087700000000, -0.0003180200000000, 0.0008030900000000 ] - [ 0.0009549800000000, -0.0003890700000000, -0.0000503500000000 ] - [ 0.0004803800000000, -0.0005283500000000, -0.0005408100000000 ] - [ -0.0016444200000000, 0.0000495900000000, -0.0000708100000000 ] - [ 0.0107801000000000, -0.0014391700000000, 0.0007848600000000 ] - [ 0.0001401300000000, 0.0106325800000000, -0.0023043900000000 ] - [ -0.0010037900000000, 0.0007276600000000, -0.0003975500000000 ] - [ -0.0005218500000000, 0.0005582400000000, 0.0002550900000000 ] - [ -0.0004136700000000, 0.0005170100000000, 0.0001759600000000 ] - [ -0.0007050000000000, -0.0010459800000000, -0.0000572300000000 ] - [ -0.0007007700000000, -0.0012214200000000, 0.0002820700000000 ] - [ -0.0004430600000000, -0.0004890700000000, 0.0007524200000000 ] - [ -0.0003595200000000, -0.0000274300000000, 0.0003725600000000 ] - [ 0.0001507300000000, 0.0002775600000000, -0.0000368300000000 ] - [ 0.0037602200000000, 0.0039701700000000, -0.0010992200000000 ] - [ 0.0006169500000000, 0.0004164600000000, 0.0003125400000000 ] - [ -0.0002918700000000, -0.0021456600000000, 0.0029230900000000 ] - [ -0.0003448000000000, 0.0001100800000000, -0.0005405400000000 ] - [ -0.0005863700000000, 0.0022675500000000, 0.0000040300000000 ] - [ -0.0003253500000000, 0.0009908600000000, 0.0009417500000000 ] - [ -0.0006102700000000, 0.0003774800000000, -0.0000099400000000 ] - [ -0.0006772600000000, -0.0003205800000000, -0.0003432500000000 ] - [ 0.0000182400000000, -0.0003827300000000, -0.0005254800000000 ] - [ 0.0060191200000000, 0.0029133500000000, -0.0006611800000000 ] - [ -0.0001660100000000, -0.0003899600000000, 0.0000306100000000 ] - [ 0.0003705000000000, 0.0001445600000000, 0.0002045300000000 ] - [ -0.0020938700000000, -0.0026593300000000, -0.0038904800000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003296900000000, 0.0000656400000000, 0.0001776600000000 ] - [ 0.0013085600000000, -0.0000865600000000, 0.0010342600000000 ] - [ 0.0003738000000000, -0.0009421800000000, -0.0001080600000000 ] - [ -0.0007279100000000, -0.0010417100000000, 0.0004357900000000 ] - [ -0.0004667000000000, 0.0016622200000000, -0.0009187700000000 ] - [ -0.0002320800000000, 0.0001996200000000, 0.0000127700000000 ] - [ 0.0003881800000000, 0.0005054500000000, -0.0010027000000000 ] - [ -0.0000763000000000, 0.0000290900000000, -0.0000037300000000 ] - [ -0.0005132100000000, -0.0001157100000000, -0.0002742700000000 ] - [ 0.0037532800000000, -0.0010672800000000, -0.0052299500000000 ] - [ 0.0005895700000000, -0.0006341400000000, -0.0000069400000000 ] - [ -0.0007263800000000, -0.0002718600000000, -0.0002167100000000 ] - [ -0.0012605900000000, 0.0018900500000000, 0.0013670900000000 ] - [ -0.0001762500000000, 0.0006367300000000, -0.0002521900000000 ] - [ 0.0018941900000000, -0.0061946400000000, -0.0009952000000000 ] - [ -0.0004472200000000, -0.0002919100000000, -0.0001766300000000 ] - [ -0.0009151600000000, -0.0009157200000000, 0.0005400500000000 ] - [ 0.0053179100000000, -0.0233982700000000, 0.0023970800000000 ] - [ 0.0004726000000000, 0.0014127800000000, 0.0003402700000000 ] - [ 0.0001731600000000, -0.0001269900000000, -0.0003173300000000 ] - [ 0.0015818900000000, 0.0026088800000000, -0.0036019300000000 ] - [ -0.0013731900000000, 0.0000264600000000, -0.0003976800000000 ] - [ 0.0001789500000000, 0.0001993100000000, 0.0001744600000000 ] - [ 0.0002212800000000, 0.0001273100000000, -0.0000364700000000 ] - [ -0.0050314800000000, 0.0017069400000000, 0.0027965300000000 ] - [ 0.0024637200000000, 0.0027769700000000, 0.0013941200000000 ] - [ 0.0571772800000000, -0.0642762400000000, -0.0474012400000000 ] - [ -0.0001204500000000, -0.0002123100000000, 0.0003752900000000 ] - [ -0.0010890600000000, 0.0000043200000000, 0.0002370800000000 ] - [ -0.0003347000000000, -0.0003096000000000, 0.0016317600000000 ] - [ -0.0001832100000000, -0.0023451100000000, -0.0002836800000000 ] - [ -0.0004492600000000, -0.0004200900000000, -0.0000798400000000 ] - [ 0.0002932100000000, -0.0008915400000000, 0.0006802300000000 ] - [ -0.0014767400000000, -0.0002288000000000, -0.0003061700000000 ] - [ 0.0045810100000000, 0.0155393100000000, -0.0022727000000000 ] - [ 0.0002454800000000, 0.0003978900000000, -0.0002021200000000 ] - [ 0.0000246400000000, 0.0006954100000000, 0.0002646300000000 ] - [ -0.0002146200000000, 0.0007249700000000, 0.0005460200000000 ] - [ 0.0003310800000000, 0.0010072100000000, 0.0005570600000000 ] - [ -0.0008094100000000, 0.0078323500000000, -0.0062344900000000 ] - [ 0.0010476900000000, -0.0012956400000000, -0.0002172000000000 ] - [ 0.0004125000000000, -0.0024346100000000, 0.0001710300000000 ] - [ -0.0865309100000000, 0.1159370500000000, 0.0659576500000000 ] - [ 0.0007218200000000, 0.0001757900000000, 0.0004467100000000 ] - [ 0.0156280000000000, -0.0031584100000000, -0.0032774500000000 ] - [ -0.0002526800000000, -0.0004923300000000, 0.0000346800000000 ] - [ -0.0003273000000000, -0.0006919800000000, -0.0001762100000000 ] - [ 0.0015907500000000, -0.0006987300000000, 0.0012485600000000 ] - [ 0.0057281600000000, -0.0183234700000000, -0.0175532700000000 ] - [ 0.0000334900000000, -0.0007660000000000, -0.0000446700000000 ] - [ -0.0000851600000000, -0.0004703200000000, 0.0016698400000000 ] - [ -0.0001783300000000, -0.0002648000000000, 0.0001020500000000 ] - [ -0.0012235000000000, 0.0008720100000000, -0.0001933100000000 ] - [ -0.0003148700000000, 0.0001152600000000, 0.0001695900000000 ] - [ -0.0075808800000000, 0.0056099400000000, 0.0071484800000000 ] - [ 0.0007251100000000, 0.0006617000000000, -0.0001525700000000 ] - [ -0.0011211100000000, -0.0002244500000000, -0.0003257600000000 ] - [ -0.0002382400000000, -0.0002245700000000, -0.0005207200000000 ] - [ -0.0002109000000000, 0.0018013100000000, -0.0004931400000000 ] - [ 0.0003199000000000, 0.0009540000000000, 0.0000613200000000 ] - [ 0.0003216400000000, -0.0003024600000000, 0.0000655700000000 ] - [ 0.0181016000000000, -0.0141250600000000, 0.0025462300000000 ] - [ 0.0012903200000000, -0.0061886500000000, 0.0009689000000000 ] - [ 0.0011501500000000, -0.0010476400000000, -0.0000491300000000 ] - [ 0.0000844400000000, -0.0007509500000000, -0.0000848600000000 ] - [ 0.0000165100000000, -0.0009908300000000, -0.0001662200000000 ] - [ -0.0021398800000000, -0.0003613900000000, -0.0020244100000000 ] - [ -0.0002882200000000, 0.0006832200000000, 0.0000493900000000 ] - [ 0.0004728400000000, -0.0003763500000000, -0.0011136000000000 ] - [ -0.0009644000000000, -0.0007999300000000, 0.0000407100000000 ] - [ 0.0005091300000000, -0.0007099300000000, -0.0008150800000000 ] - [ 0.0009896000000000, -0.0005780600000000, -0.0003112100000000 ] - [ 0.0028191800000000, 0.0015364800000000, 0.0000777600000000 ] - [ -0.0096640100000000, 0.0029536400000000, -0.0007779700000000 ] - [ -0.0016104600000000, -0.0094818300000000, 0.0014720700000000 ] - [ -0.0004643900000000, 0.0003792700000000, -0.0004498600000000 ] - [ -0.0001881200000000, 0.0000192400000000, -0.0002303700000000 ] - [ -0.0002862500000000, 0.0000580400000000, -0.0001581300000000 ] - [ -0.0004714500000000, -0.0005458600000000, 0.0000561200000000 ] - [ -0.0004749700000000, -0.0003687600000000, -0.0002878300000000 ] - [ -0.0000051900000000, 0.0005292900000000, 0.0002539400000000 ] - [ -0.0000831400000000, 0.0000705100000000, 0.0006378500000000 ] - [ 0.0009510600000000, -0.0000589100000000, -0.0003026000000000 ] - [ -0.0026542900000000, -0.0037545800000000, 0.0007700800000000 ] - [ 0.0008525600000000, 0.0006921000000000, 0.0005342500000000 ] - [ 0.0017660500000000, 0.0032737800000000, -0.0020815400000000 ] - [ -0.0000988500000000, -0.0001541600000000, -0.0004743600000000 ] - [ 0.0001577800000000, -0.0023191500000000, -0.0010393900000000 ] - [ -0.0006348400000000, -0.0003151400000000, -0.0009609400000000 ] - [ -0.0003478400000000, 0.0002984400000000, -0.0000055800000000 ] - [ -0.0002846100000000, -0.0003570500000000, 0.0003567300000000 ] - [ -0.0009697000000000, -0.0002961600000000, 0.0005382700000000 ] - [ -0.0051284000000000, -0.0035909300000000, 0.0006533500000000 ] - [ 0.0011284000000000, -0.0002849700000000, -0.0000444700000000 ] - [ 0.0005907600000000, 0.0005302700000000, -0.0001892700000000 ] - [ 0.0029972400000000, 0.0033744100000000, 0.0038466800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001967000000000, -0.0000020500000000, -0.0001939000000000 ] - [ -0.0013765500000000, -0.0007347000000000, -0.0019798000000000 ] - [ -0.0008437100000000, -0.0000679500000000, 0.0005153100000000 ] - [ 0.0013444500000000, -0.0002579300000000, 0.0006179800000000 ] - [ -0.0011694200000000, 0.0002641600000000, 0.0005495800000000 ] - [ 0.0002913900000000, 0.0000004600000000, 0.0002256100000000 ] - [ -0.0003554700000000, 0.0014385900000000, -0.0029114900000000 ] - [ 0.0002821500000000, 0.0000685800000000, -0.0002004100000000 ] - [ 0.0002027800000000, -0.0002755000000000, 0.0005292200000000 ] - [ 0.0040655900000000, 0.0064780900000000, 0.0002812100000000 ] - [ 0.0029885300000000, -0.0002026400000000, -0.0032830000000000 ] - [ -0.0020466100000000, 0.0002004100000000, -0.0017201900000000 ] - [ 0.0013770900000000, -0.0002695200000000, -0.0029311100000000 ] - [ 0.0002537600000000, 0.0002645300000000, -0.0007860900000000 ] - [ -0.0009036700000000, -0.0008215200000000, 0.0068002300000000 ] - [ 0.0002958000000000, -0.0002131600000000, 0.0002274100000000 ] - [ 0.0000616100000000, -0.0002598000000000, 0.0006771000000000 ] - [ 0.0114537000000000, -0.0025191700000000, 0.0299193500000000 ] - [ 0.0000359100000000, 0.0003702600000000, -0.0025367400000000 ] - [ 0.0006284400000000, -0.0002648500000000, -0.0004315100000000 ] - [ 0.0019895000000000, 0.0058100600000000, 0.0048890800000000 ] - [ -0.0005096700000000, 0.0001751300000000, 0.0000185100000000 ] - [ -0.0000736900000000, 0.0002233900000000, -0.0002483300000000 ] - [ 0.0010783600000000, 0.0002474100000000, -0.0007052100000000 ] - [ 0.0015341400000000, -0.0007831000000000, 0.0022141900000000 ] - [ 0.0006357100000000, -0.0002368200000000, 0.0015402700000000 ] - [ -0.0979088500000000, 0.0483865600000000, 0.1226216200000000 ] - [ 0.0005813900000000, 0.0001123900000000, 0.0003309500000000 ] - [ -0.0004216600000000, 0.0002824800000000, -0.0000601000000000 ] - [ -0.0012459600000000, 0.0005697700000000, -0.0075197200000000 ] - [ -0.0024480100000000, -0.0002391000000000, -0.0056606000000000 ] - [ 0.0006370900000000, -0.0001785300000000, -0.0003455300000000 ] - [ -0.0035268600000000, -0.0011295400000000, -0.0037001300000000 ] - [ 0.0004423500000000, -0.0000211900000000, -0.0009805400000000 ] - [ -0.0036731100000000, -0.0088306200000000, 0.0107539300000000 ] - [ 0.0015131000000000, 0.0002194900000000, -0.0000300700000000 ] - [ -0.0005877900000000, -0.0000042100000000, -0.0008151200000000 ] - [ 0.0020604800000000, 0.0002648500000000, -0.0022266800000000 ] - [ 0.0014578100000000, 0.0001528200000000, 0.0015700200000000 ] - [ -0.0013707600000000, 0.0000823700000000, 0.0030314500000000 ] - [ -0.0000270100000000, 0.0005202300000000, -0.0008532900000000 ] - [ -0.0001939000000000, 0.0006015900000000, -0.0011101500000000 ] - [ 0.0997682300000000, -0.0666512100000000, -0.1792552200000000 ] - [ -0.0000865200000000, 0.0000413100000000, 0.0003202500000000 ] - [ 0.0042914700000000, -0.0017940100000000, -0.0059438800000000 ] - [ 0.0000923000000000, -0.0000855400000000, -0.0001063600000000 ] - [ -0.0019078600000000, -0.0017341100000000, -0.0012120000000000 ] - [ 0.0007651300000000, -0.0003073900000000, -0.0012144600000000 ] - [ -0.0051445500000000, 0.0211109900000000, 0.0077092500000000 ] - [ -0.0003349200000000, -0.0008141200000000, -0.0000087500000000 ] - [ 0.0011633600000000, -0.0013938900000000, 0.0033642400000000 ] - [ -0.0006749600000000, -0.0003352100000000, -0.0000332100000000 ] - [ 0.0002538300000000, 0.0000861300000000, 0.0033398700000000 ] - [ -0.0009810500000000, 0.0001728900000000, 0.0003286900000000 ] - [ -0.0202858100000000, -0.0030702500000000, 0.0097150400000000 ] - [ 0.0003881100000000, 0.0003222000000000, -0.0001460200000000 ] - [ 0.0005707300000000, 0.0002734400000000, 0.0003772400000000 ] - [ -0.0018699100000000, -0.0000949800000000, 0.0002435600000000 ] - [ 0.0018854500000000, 0.0013655800000000, 0.0027803600000000 ] - [ -0.0003994500000000, 0.0006189100000000, 0.0002297700000000 ] - [ -0.0000315500000000, -0.0002267300000000, -0.0005674400000000 ] - [ -0.0013701300000000, 0.0010046200000000, -0.0060256000000000 ] - [ 0.0000559900000000, 0.0005829900000000, -0.0017321000000000 ] - [ 0.0004180300000000, -0.0007861200000000, 0.0000353400000000 ] - [ 0.0000663700000000, -0.0008614000000000, 0.0003094200000000 ] - [ -0.0001544000000000, -0.0002836500000000, 0.0026973400000000 ] - [ 0.0015045200000000, 0.0011152500000000, 0.0022226000000000 ] - [ -0.0011107400000000, 0.0008893600000000, -0.0000110300000000 ] - [ -0.0017366800000000, 0.0002165800000000, -0.0002741400000000 ] - [ -0.0001871800000000, -0.0002817800000000, -0.0000947900000000 ] - [ 0.0012227700000000, -0.0007231400000000, 0.0024646500000000 ] - [ 0.0005204500000000, -0.0007452600000000, 0.0002044600000000 ] - [ 0.0003426700000000, 0.0008031700000000, -0.0006078400000000 ] - [ -0.0008912300000000, 0.0005681900000000, -0.0064283100000000 ] - [ 0.0004971800000000, 0.0009647400000000, -0.0068112300000000 ] - [ -0.0009583800000000, 0.0005330900000000, -0.0006696800000000 ] - [ -0.0004590400000000, 0.0003838600000000, 0.0006581500000000 ] - [ -0.0009911300000000, 0.0004581800000000, 0.0011003500000000 ] - [ -0.0009090200000000, -0.0005556400000000, 0.0008139300000000 ] - [ -0.0013571100000000, -0.0013244900000000, 0.0029236100000000 ] - [ 0.0008223300000000, -0.0002267400000000, 0.0027824900000000 ] - [ -0.0007148600000000, 0.0001542700000000, 0.0009367600000000 ] - [ -0.0002378300000000, -0.0000890100000000, -0.0003440200000000 ] - [ 0.0029053600000000, 0.0016095300000000, -0.0018536700000000 ] - [ 0.0006902700000000, 0.0005041500000000, 0.0004659500000000 ] - [ -0.0041355200000000, 0.0019015600000000, 0.0109242100000000 ] - [ -0.0002588100000000, 0.0000121100000000, -0.0004427200000000 ] - [ -0.0012262200000000, -0.0005413200000000, 0.0018651800000000 ] - [ -0.0001322600000000, 0.0003583300000000, 0.0023360400000000 ] - [ -0.0006156500000000, 0.0003387100000000, 0.0001283700000000 ] - [ -0.0000533600000000, -0.0003954100000000, 0.0001586500000000 ] - [ -0.0017681200000000, -0.0004493200000000, 0.0006906600000000 ] - [ 0.0026861000000000, 0.0006605500000000, -0.0041685800000000 ] - [ 0.0003423800000000, -0.0003188500000000, -0.0002919200000000 ] - [ -0.0000055500000000, 0.0003549300000000, -0.0001690700000000 ] - [ 0.0130116100000000, -0.0027377200000000, 0.0102023300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003674500000000, 0.0000925400000000, 0.0002618300000000 ] - [ 0.0012003500000000, 0.0008229000000000, 0.0020490200000000 ] - [ 0.0010160600000000, -0.0000266300000000, -0.0004540700000000 ] - [ -0.0011743400000000, 0.0001642400000000, -0.0005627800000000 ] - [ 0.0010010000000000, -0.0003556600000000, -0.0006281900000000 ] - [ -0.0004606800000000, -0.0000898300000000, -0.0002943200000000 ] - [ 0.0005284700000000, -0.0013385200000000, 0.0028437000000000 ] - [ -0.0001108800000000, 0.0000243100000000, 0.0001359000000000 ] - [ -0.0000895800000000, -0.0002073800000000, -0.0002758000000000 ] - [ -0.0038748500000000, -0.0068486500000000, -0.0001689600000000 ] - [ -0.0030960000000000, 0.0006813100000000, 0.0035432900000000 ] - [ 0.0019226100000000, 0.0002820400000000, 0.0019877600000000 ] - [ -0.0012561400000000, 0.0007533600000000, 0.0026782300000000 ] - [ -0.0001412000000000, 0.0002196000000000, 0.0005352900000000 ] - [ 0.0007992100000000, -0.0000079900000000, -0.0072710900000000 ] - [ -0.0004102700000000, -0.0002707100000000, -0.0004902200000000 ] - [ -0.0008137200000000, -0.0001849600000000, -0.0000725600000000 ] - [ -0.0116276400000000, 0.0019148700000000, -0.0294300100000000 ] - [ 0.0007159700000000, -0.0008152700000000, 0.0019400700000000 ] - [ 0.0001225100000000, -0.0001764200000000, -0.0001694500000000 ] - [ -0.0027531600000000, -0.0053596900000000, -0.0054593300000000 ] - [ -0.0002397900000000, 0.0002659100000000, -0.0006172100000000 ] - [ 0.0008301700000000, 0.0002167000000000, 0.0008471700000000 ] - [ -0.0003339200000000, 0.0001920300000000, 0.0013069900000000 ] - [ 0.0001837100000000, 0.0005451000000000, -0.0015601600000000 ] - [ 0.0011521900000000, 0.0000244800000000, -0.0008876300000000 ] - [ 0.0937267800000000, -0.0456721900000000, -0.1206652300000000 ] - [ -0.0003089600000000, 0.0003668100000000, -0.0003871100000000 ] - [ -0.0013362200000000, -0.0000368200000000, 0.0006809500000000 ] - [ -0.0005181000000000, -0.0003261800000000, 0.0081566800000000 ] - [ 0.0021955600000000, -0.0002470300000000, 0.0056132800000000 ] - [ -0.0009061200000000, -0.0003054900000000, 0.0002810700000000 ] - [ 0.0017788100000000, 0.0008920900000000, 0.0030804000000000 ] - [ -0.0022110100000000, -0.0002250100000000, 0.0003574500000000 ] - [ 0.0054153200000000, 0.0090649400000000, -0.0113395700000000 ] - [ 0.0002492100000000, 0.0000273800000000, -0.0005916200000000 ] - [ 0.0003284900000000, 0.0004892400000000, 0.0008774400000000 ] - [ -0.0023426600000000, 0.0002222000000000, 0.0022927100000000 ] - [ -0.0011919800000000, -0.0006303700000000, -0.0014963300000000 ] - [ 0.0016419000000000, -0.0005885100000000, -0.0029300400000000 ] - [ -0.0001746200000000, 0.0009609600000000, 0.0007170500000000 ] - [ -0.0000192700000000, 0.0008861900000000, 0.0009757000000000 ] - [ -0.0952653400000000, 0.0646230600000000, 0.1784334700000000 ] - [ 0.0005258500000000, -0.0000819800000000, 0.0006942700000000 ] - [ -0.0031115600000000, 0.0015474500000000, 0.0062403000000000 ] - [ 0.0009846000000000, -0.0001330600000000, 0.0004405500000000 ] - [ 0.0023415600000000, 0.0017671600000000, 0.0001923400000000 ] - [ -0.0003257700000000, 0.0003488000000000, 0.0001903100000000 ] - [ 0.0048589100000000, -0.0223202700000000, -0.0074824400000000 ] - [ 0.0001224400000000, -0.0006784600000000, 0.0001404100000000 ] - [ -0.0018792000000000, 0.0008253800000000, -0.0034014400000000 ] - [ -0.0000339000000000, -0.0002430000000000, 0.0000116900000000 ] - [ -0.0013533800000000, 0.0001306800000000, -0.0030075700000000 ] - [ -0.0001164000000000, 0.0000436500000000, 0.0000096300000000 ] - [ 0.0207133900000000, 0.0035818900000000, -0.0096499300000000 ] - [ 0.0003205400000000, 0.0002587300000000, 0.0001184200000000 ] - [ -0.0016763700000000, -0.0004924500000000, -0.0007137700000000 ] - [ 0.0007812800000000, -0.0001209200000000, -0.0005794700000000 ] - [ -0.0016883900000000, 0.0001202800000000, -0.0026566900000000 ] - [ 0.0006108300000000, 0.0008726300000000, -0.0000949700000000 ] - [ 0.0007418000000000, -0.0003531500000000, 0.0005908700000000 ] - [ 0.0020145800000000, -0.0015228000000000, 0.0060578700000000 ] - [ 0.0011205100000000, -0.0021523000000000, 0.0017195200000000 ] - [ 0.0007604300000000, -0.0008017000000000, -0.0000391900000000 ] - [ 0.0001417300000000, -0.0006295600000000, -0.0004408200000000 ] - [ 0.0003684200000000, -0.0012144500000000, -0.0028385400000000 ] - [ -0.0026915500000000, 0.0004708900000000, -0.0022270900000000 ] - [ -0.0000667900000000, 0.0006982000000000, 0.0000115700000000 ] - [ 0.0002683800000000, -0.0013233900000000, 0.0011093600000000 ] - [ -0.0012848500000000, -0.0008272400000000, 0.0009312300000000 ] - [ 0.0002438900000000, -0.0003868200000000, -0.0033172400000000 ] - [ 0.0009511300000000, -0.0003635500000000, -0.0010564500000000 ] - [ 0.0008472800000000, 0.0007883000000000, 0.0006079900000000 ] - [ 0.0019317500000000, 0.0009741300000000, 0.0064304900000000 ] - [ -0.0019673800000000, 0.0001193700000000, 0.0059713500000000 ] - [ -0.0005124100000000, 0.0005737900000000, -0.0001789700000000 ] - [ -0.0002532400000000, 0.0001958600000000, -0.0006348600000000 ] - [ 0.0002870300000000, 0.0001203600000000, -0.0010803100000000 ] - [ -0.0002733100000000, -0.0010315400000000, -0.0008119200000000 ] - [ 0.0001864500000000, -0.0002566100000000, -0.0029302600000000 ] - [ -0.0012714000000000, 0.0002728000000000, -0.0017738200000000 ] - [ 0.0002758300000000, -0.0001098600000000, 0.0000750700000000 ] - [ 0.0013340400000000, 0.0003045400000000, 0.0000037000000000 ] - [ -0.0017977500000000, -0.0013850900000000, 0.0015071400000000 ] - [ 0.0007784900000000, 0.0006034400000000, 0.0003857900000000 ] - [ 0.0056749500000000, -0.0008175700000000, -0.0101657400000000 ] - [ -0.0001845900000000, -0.0000555500000000, -0.0005690400000000 ] - [ 0.0007898400000000, 0.0005016000000000, -0.0028861300000000 ] - [ -0.0008254000000000, 0.0003183500000000, -0.0023609700000000 ] - [ -0.0003430600000000, 0.0003366100000000, -0.0001485600000000 ] - [ -0.0009066400000000, -0.0002798800000000, -0.0001339900000000 ] - [ 0.0008170800000000, -0.0002268100000000, -0.0006682000000000 ] - [ -0.0017013400000000, -0.0013161500000000, 0.0041551200000000 ] - [ 0.0006117700000000, -0.0003555500000000, 0.0002719900000000 ] - [ 0.0009606400000000, 0.0003203800000000, 0.0001869600000000 ] - [ -0.0118851400000000, 0.0033654300000000, -0.0100493500000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014670000000000, 0.0002364000000000, 0.0014441700000000 ] - [ -0.0018698400000000, -0.0001557200000000, -0.0017879900000000 ] - [ 0.0027761700000000, -0.0030479000000000, -0.0027766200000000 ] - [ -0.0016713000000000, 0.0000142500000000, 0.0004997000000000 ] - [ 0.0057714900000000, 0.0003040600000000, -0.0008635200000000 ] - [ -0.0017555000000000, -0.0000655800000000, -0.0000289500000000 ] - [ 0.0004882300000000, 0.0005061300000000, -0.0014192100000000 ] - [ -0.0011000600000000, -0.0000046100000000, 0.0005079900000000 ] - [ -0.0049350300000000, 0.0015566100000000, -0.0055607700000000 ] - [ -0.0037879400000000, -0.0016520800000000, 0.0045825000000000 ] - [ 0.0058108300000000, -0.0032460200000000, 0.0017647600000000 ] - [ -0.0032590700000000, 0.0004387600000000, -0.0004829000000000 ] - [ 0.0076829300000000, 0.0021678900000000, 0.0004378500000000 ] - [ -0.0029149000000000, 0.0001114100000000, -0.0001205800000000 ] - [ 0.0014343700000000, 0.0022306600000000, 0.0044692500000000 ] - [ -0.0029547200000000, -0.0007877300000000, -0.0017266600000000 ] - [ -0.0067485500000000, -0.0081698500000000, 0.0041452600000000 ] - [ -0.0091776700000000, 0.0007148000000000, -0.0028861900000000 ] - [ 0.0013412700000000, -0.0009264500000000, -0.0001472700000000 ] - [ -0.0010705100000000, 0.0000611300000000, -0.0005775100000000 ] - [ 0.0069303800000000, 0.0035650900000000, 0.0006432500000000 ] - [ -0.0035688400000000, 0.0000711500000000, -0.0000550100000000 ] - [ 0.0026450700000000, -0.0001539100000000, -0.0009741900000000 ] - [ -0.0015462200000000, 0.0002557600000000, 0.0006046400000000 ] - [ 0.1501199300000000, -0.0313730100000000, -0.0490722800000000 ] - [ -0.0054573400000000, -0.0004139700000000, -0.0003897200000000 ] - [ 0.1197444900000000, -0.0509586800000000, 0.0616187800000000 ] - [ -0.0069402600000000, 0.0009720700000000, 0.0012855000000000 ] - [ -0.0018597500000000, 0.0000028700000000, -0.0011453600000000 ] - [ -0.0013655300000000, 0.0000626700000000, 0.0017925600000000 ] - [ 0.0050908100000000, 0.0002422300000000, 0.0013231200000000 ] - [ -0.0037595300000000, -0.0006028000000000, -0.0006456400000000 ] - [ 0.0040066600000000, 0.0002959600000000, 0.0000535400000000 ] - [ -0.0044298100000000, -0.0003078700000000, -0.0006851700000000 ] - [ -0.0007905900000000, -0.0138775300000000, -0.0009507800000000 ] - [ -0.0046771000000000, 0.0005489900000000, 0.0007152000000000 ] - [ 0.0015100400000000, 0.0011673300000000, -0.0002404300000000 ] - [ -0.0028655000000000, 0.0001336900000000, 0.0002464900000000 ] - [ -0.0001399700000000, 0.0081512700000000, 0.0089584500000000 ] - [ -0.0057888900000000, 0.0005092300000000, -0.0010726300000000 ] - [ 0.0134224200000000, -0.0209069300000000, -0.0054265100000000 ] - [ 0.0024373500000000, -0.0000409400000000, -0.0000536500000000 ] - [ 0.0247904300000000, -0.0153046500000000, 0.0042273100000000 ] - [ 0.0072085900000000, 0.0007689200000000, 0.0000631600000000 ] - [ -0.3568448500000000, 0.1163177600000000, -0.0198285300000000 ] - [ 0.0053310500000000, -0.0010612800000000, 0.0002057000000000 ] - [ -0.0052083700000000, -0.0031755600000000, -0.0028512500000000 ] - [ 0.0037639800000000, 0.0004219000000000, 0.0002782700000000 ] - [ 0.0156954100000000, 0.0079692500000000, 0.0183647900000000 ] - [ 0.0024462800000000, -0.0004239800000000, -0.0003422000000000 ] - [ -0.0021600400000000, -0.0003200100000000, -0.0024025700000000 ] - [ 0.0017364300000000, -0.0000111400000000, 0.0010433400000000 ] - [ -0.0018731800000000, 0.0000427600000000, 0.0005385900000000 ] - [ 0.0012133400000000, -0.0001555200000000, 0.0003123500000000 ] - [ -0.0080958300000000, -0.0074096900000000, 0.0078738600000000 ] - [ 0.0032275700000000, 0.0008077900000000, -0.0009534800000000 ] - [ -0.0034237200000000, -0.0009496400000000, 0.0004755700000000 ] - [ 0.0018756200000000, 0.0003284700000000, -0.0003420400000000 ] - [ -0.0023997600000000, 0.0001378500000000, -0.0005681000000000 ] - [ 0.0017203700000000, 0.0012347900000000, 0.0001991400000000 ] - [ 0.0017081100000000, -0.0001300300000000, -0.0003574800000000 ] - [ 0.0044450300000000, -0.0025132900000000, 0.0001961300000000 ] - [ -0.0039983300000000, 0.0016196500000000, 0.0015005200000000 ] - [ 0.0036651400000000, -0.0016466700000000, -0.0007567400000000 ] - [ -0.0001726900000000, -0.0005747700000000, 0.0000272700000000 ] - [ 0.0008355100000000, -0.0010625400000000, -0.0001456300000000 ] - [ -0.0032934600000000, 0.0013388500000000, -0.0011222500000000 ] - [ 0.0014687600000000, 0.0003015600000000, 0.0006630900000000 ] - [ 0.0009806200000000, -0.0037636400000000, -0.0168032800000000 ] - [ 0.0017426600000000, -0.0004369700000000, 0.0010868500000000 ] - [ -0.0016637000000000, -0.0008247900000000, -0.0006553500000000 ] - [ 0.0022990800000000, -0.0006100300000000, -0.0001082300000000 ] - [ 0.0364011800000000, 0.0092923000000000, -0.0031630500000000 ] - [ 0.0056671600000000, 0.0025359200000000, 0.0003122400000000 ] - [ 0.0030527300000000, 0.0071523700000000, -0.0020241200000000 ] - [ 0.0019355000000000, -0.0000455300000000, -0.0005204600000000 ] - [ -0.0014763000000000, -0.0003629400000000, -0.0003310700000000 ] - [ 0.0011459000000000, 0.0001751000000000, -0.0001134300000000 ] - [ -0.0010896000000000, -0.0003647400000000, -0.0000991300000000 ] - [ 0.0007409700000000, -0.0004820100000000, -0.0001958800000000 ] - [ -0.0039469900000000, 0.0006940100000000, -0.0002970200000000 ] - [ 0.0020255800000000, -0.0002109900000000, 0.0009407100000000 ] - [ 0.0039595900000000, -0.0004219400000000, -0.0021005900000000 ] - [ 0.0039530500000000, 0.0024092200000000, 0.0003023000000000 ] - [ 0.0015459800000000, 0.0012979800000000, 0.0023081400000000 ] - [ 0.0016359300000000, 0.0003754000000000, -0.0018312300000000 ] - [ 0.0002361800000000, -0.0005881400000000, 0.0006106000000000 ] - [ 0.0004794200000000, 0.0002835700000000, -0.0018352000000000 ] - [ -0.0014812500000000, 0.0008211700000000, 0.0006149400000000 ] - [ 0.0004606300000000, 0.0002451800000000, -0.0000051400000000 ] - [ -0.0014049000000000, -0.0005237400000000, 0.0032872900000000 ] - [ 0.0008461900000000, -0.0002835700000000, -0.0005070600000000 ] - [ -0.0036017500000000, -0.0017779800000000, -0.0004016700000000 ] - [ 0.0023528300000000, -0.0002211600000000, -0.0002039900000000 ] - [ 0.0014705900000000, 0.0017152700000000, -0.0026789800000000 ] - [ 0.0027603300000000, -0.0002589700000000, 0.0021095300000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012808600000000, -0.0001438800000000, -0.0013750400000000 ] - [ 0.0016995400000000, 0.0002471000000000, 0.0018553900000000 ] - [ -0.0026404500000000, 0.0029493000000000, 0.0028416100000000 ] - [ 0.0018455400000000, -0.0001079000000000, -0.0004287700000000 ] - [ -0.0059707400000000, -0.0004374100000000, 0.0008306700000000 ] - [ 0.0015826000000000, -0.0000274900000000, -0.0000389800000000 ] - [ -0.0002984300000000, -0.0004185400000000, 0.0013588900000000 ] - [ 0.0012746300000000, 0.0000996100000000, -0.0005804600000000 ] - [ 0.0050676300000000, -0.0020523000000000, 0.0058534600000000 ] - [ 0.0038978200000000, 0.0011555500000000, -0.0043060800000000 ] - [ -0.0059614700000000, 0.0037220100000000, -0.0014915900000000 ] - [ 0.0031484100000000, 0.0000444600000000, 0.0007384700000000 ] - [ -0.0075634800000000, -0.0016813100000000, -0.0006844600000000 ] - [ 0.0030309600000000, 0.0003710700000000, -0.0001401200000000 ] - [ -0.0015305200000000, -0.0026963000000000, -0.0047158000000000 ] - [ 0.0028421000000000, 0.0003066800000000, 0.0014744600000000 ] - [ 0.0060168300000000, 0.0077668200000000, -0.0035693100000000 ] - [ 0.0084160500000000, -0.0011584000000000, 0.0034709500000000 ] - [ -0.0005826500000000, 0.0004878800000000, -0.0004535000000000 ] - [ 0.0018197300000000, -0.0005041500000000, -0.0000202900000000 ] - [ -0.0077105700000000, -0.0031793500000000, -0.0012630000000000 ] - [ 0.0028203900000000, 0.0003710500000000, -0.0005465800000000 ] - [ -0.0019015800000000, 0.0005946100000000, 0.0015806600000000 ] - [ 0.0023000200000000, 0.0001853000000000, -0.0000039400000000 ] - [ -0.1574062100000000, 0.0342382800000000, 0.0543174400000000 ] - [ 0.0072182500000000, 0.0001625300000000, 0.0010122400000000 ] - [ -0.1148263000000000, 0.0479665800000000, -0.0573855600000000 ] - [ 0.0072183800000000, -0.0004947100000000, -0.0013560300000000 ] - [ 0.0000884600000000, 0.0002409000000000, 0.0017824200000000 ] - [ -0.0003790700000000, 0.0001823600000000, -0.0011609200000000 ] - [ -0.0053483500000000, -0.0007207000000000, -0.0013914700000000 ] - [ 0.0034936900000000, 0.0001242500000000, 0.0005876600000000 ] - [ -0.0057726900000000, -0.0005505700000000, -0.0006728200000000 ] - [ 0.0026749300000000, 0.0000615000000000, 0.0000606800000000 ] - [ 0.0025894100000000, 0.0140958800000000, 0.0003226300000000 ] - [ 0.0064381200000000, -0.0003090100000000, -0.0013504500000000 ] - [ -0.0017957800000000, -0.0006863600000000, 0.0003098000000000 ] - [ 0.0026063000000000, 0.0003454400000000, -0.0001832100000000 ] - [ 0.0003858100000000, -0.0086387500000000, -0.0089357200000000 ] - [ 0.0060625500000000, -0.0009844200000000, 0.0011267500000000 ] - [ -0.0137719900000000, 0.0226732600000000, 0.0053477400000000 ] - [ -0.0026527900000000, 0.0015326200000000, -0.0000751900000000 ] - [ -0.0239932700000000, 0.0149738600000000, -0.0031774700000000 ] - [ -0.0067929100000000, -0.0008202700000000, 0.0009529000000000 ] - [ 0.3628083300000000, -0.1161826900000000, 0.0108600600000000 ] - [ -0.0042374600000000, 0.0008468200000000, 0.0001343800000000 ] - [ 0.0056823100000000, 0.0032380200000000, 0.0018539400000000 ] - [ -0.0033237100000000, -0.0003803500000000, -0.0012914500000000 ] - [ -0.0157939000000000, -0.0094017400000000, -0.0179444800000000 ] - [ -0.0026613000000000, -0.0010651900000000, 0.0004771400000000 ] - [ 0.0014384800000000, -0.0002581400000000, 0.0023761300000000 ] - [ -0.0024468800000000, -0.0005660300000000, -0.0010755600000000 ] - [ 0.0007639500000000, 0.0001731500000000, -0.0002022500000000 ] - [ -0.0023074000000000, 0.0003703400000000, 0.0000257800000000 ] - [ 0.0086898800000000, 0.0081225100000000, -0.0080170800000000 ] - [ -0.0025254100000000, -0.0002328200000000, 0.0009318700000000 ] - [ 0.0023362800000000, 0.0007361500000000, -0.0008180000000000 ] - [ -0.0029777300000000, -0.0005451700000000, 0.0000008800000000 ] - [ 0.0026090200000000, 0.0013568600000000, 0.0007069300000000 ] - [ -0.0015094500000000, 0.0002549400000000, -0.0000695300000000 ] - [ -0.0010029700000000, -0.0004497500000000, 0.0003889800000000 ] - [ -0.0037290200000000, 0.0019253900000000, -0.0001676400000000 ] - [ 0.0051537900000000, -0.0031827300000000, -0.0015065000000000 ] - [ -0.0024899200000000, 0.0000595500000000, 0.0007540100000000 ] - [ 0.0003917700000000, -0.0009175300000000, -0.0001589000000000 ] - [ -0.0006289900000000, -0.0004267300000000, 0.0000125900000000 ] - [ 0.0021082800000000, 0.0002485500000000, 0.0011171200000000 ] - [ -0.0026477800000000, 0.0012866500000000, -0.0006710300000000 ] - [ -0.0023506000000000, 0.0026757900000000, 0.0177028400000000 ] - [ -0.0032128300000000, -0.0006698500000000, -0.0002371900000000 ] - [ 0.0031358200000000, -0.0002766400000000, -0.0002005200000000 ] - [ -0.0008326900000000, -0.0004979600000000, -0.0007381600000000 ] - [ -0.0359258200000000, -0.0078629700000000, 0.0032106200000000 ] - [ -0.0044857200000000, -0.0009460000000000, -0.0003068200000000 ] - [ -0.0045113000000000, -0.0059889000000000, 0.0011717200000000 ] - [ -0.0034079500000000, 0.0011574700000000, -0.0003250600000000 ] - [ 0.0007763600000000, 0.0009374700000000, 0.0003509500000000 ] - [ -0.0018557700000000, 0.0004024800000000, 0.0001401400000000 ] - [ -0.0000771400000000, -0.0012202900000000, 0.0000953600000000 ] - [ -0.0019244800000000, -0.0011081000000000, 0.0002012500000000 ] - [ 0.0035042500000000, -0.0006536200000000, 0.0013059200000000 ] - [ -0.0024716600000000, 0.0002544600000000, 0.0000736900000000 ] - [ -0.0028605100000000, 0.0006359600000000, 0.0017742300000000 ] - [ -0.0028663700000000, -0.0021940900000000, -0.0006395600000000 ] - [ -0.0000742800000000, -0.0001937100000000, -0.0014748200000000 ] - [ -0.0001709200000000, 0.0007326400000000, 0.0026688000000000 ] - [ -0.0006725100000000, 0.0005490900000000, -0.0016344500000000 ] - [ -0.0009294400000000, -0.0003280400000000, 0.0008185200000000 ] - [ 0.0005171900000000, -0.0001434200000000, -0.0006267300000000 ] - [ -0.0014187300000000, 0.0004305800000000, -0.0000065900000000 ] - [ 0.0004562800000000, -0.0001528900000000, -0.0032886600000000 ] - [ -0.0018071000000000, -0.0003935400000000, 0.0005168400000000 ] - [ 0.0045546900000000, 0.0011234000000000, 0.0003988300000000 ] - [ -0.0013950200000000, -0.0004554700000000, 0.0001924700000000 ] - [ -0.0005079000000000, -0.0010434000000000, 0.0027096500000000 ] - [ -0.0018057100000000, 0.0009324100000000, -0.0020887100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003943500000000, 0.0001302200000000, -0.0003840400000000 ] - [ -0.0001464400000000, 0.0002934700000000, -0.0000190400000000 ] - [ -0.0025892100000000, -0.0011409300000000, -0.0019706300000000 ] - [ 0.0005023700000000, -0.0001078700000000, -0.0001008400000000 ] - [ -0.0015288800000000, 0.0045297700000000, -0.0019295000000000 ] - [ 0.0002392400000000, -0.0000047100000000, 0.0000024100000000 ] - [ 0.0010799400000000, -0.0010905800000000, 0.0010287000000000 ] - [ 0.0003195500000000, -0.0000971800000000, -0.0001784500000000 ] - [ 0.0011862600000000, 0.0011450500000000, 0.0006754700000000 ] - [ 0.0001265600000000, 0.0021124600000000, -0.0006459400000000 ] - [ -0.0043979900000000, 0.0019860800000000, 0.0020582600000000 ] - [ 0.0007245400000000, 0.0001913200000000, 0.0003218200000000 ] - [ -0.0011618200000000, -0.0011247400000000, -0.0018133000000000 ] - [ 0.0006263700000000, 0.0003034000000000, -0.0001872000000000 ] - [ 0.0005706000000000, -0.0038811800000000, -0.0016268900000000 ] - [ 0.0006603600000000, -0.0006381100000000, 0.0002918000000000 ] - [ -0.0005607100000000, -0.0016427700000000, 0.0003975700000000 ] - [ 0.0042235400000000, -0.0012604700000000, 0.0020220400000000 ] - [ 0.0001325200000000, -0.0002973500000000, -0.0000696100000000 ] - [ 0.0007477100000000, -0.0001959200000000, -0.0002869800000000 ] - [ -0.0031995600000000, -0.0089057600000000, -0.0009371400000000 ] - [ 0.0002463300000000, 0.0000295300000000, -0.0002777300000000 ] - [ -0.0001538200000000, 0.0004998100000000, 0.0008508100000000 ] - [ 0.0007345800000000, 0.0003375400000000, 0.0002460300000000 ] - [ -0.0306282800000000, 0.0409459600000000, 0.0132708800000000 ] - [ 0.0021120000000000, 0.0006870000000000, 0.0006773400000000 ] - [ -0.0482996900000000, 0.0610867100000000, -0.0364186900000000 ] - [ 0.0009981700000000, 0.0005466800000000, 0.0002263100000000 ] - [ -0.0007230300000000, 0.0001616900000000, 0.0003693300000000 ] - [ -0.0004032500000000, 0.0001009400000000, 0.0000170300000000 ] - [ -0.0006370800000000, 0.0014630600000000, -0.0001012900000000 ] - [ 0.0004762200000000, -0.0001284900000000, 0.0000406500000000 ] - [ -0.0017429500000000, -0.0016103500000000, 0.0000861800000000 ] - [ -0.0002093400000000, -0.0001812100000000, -0.0002503700000000 ] - [ -0.0026553100000000, -0.0017944400000000, -0.0039979700000000 ] - [ 0.0031182500000000, 0.0006946500000000, -0.0003294300000000 ] - [ -0.0005660200000000, -0.0004121500000000, 0.0003177100000000 ] - [ 0.0002367700000000, -0.0000968200000000, 0.0001347000000000 ] - [ 0.0017559500000000, -0.0101006800000000, -0.0076947800000000 ] - [ 0.0002116000000000, -0.0014502200000000, 0.0005631800000000 ] - [ -0.0214090100000000, 0.0183640100000000, 0.0047854400000000 ] - [ -0.0002245900000000, 0.0007133700000000, -0.0000806800000000 ] - [ -0.0145005300000000, 0.0030181700000000, -0.0011625900000000 ] - [ 0.0001697700000000, 0.0003646600000000, 0.0005324800000000 ] - [ 0.1159876500000000, -0.1182895200000000, 0.0378998100000000 ] - [ -0.0004029100000000, -0.0001479500000000, 0.0000987400000000 ] - [ 0.0030553400000000, 0.0038857100000000, 0.0009968000000000 ] - [ -0.0003575700000000, 0.0001906500000000, -0.0007042900000000 ] - [ 0.0058597500000000, -0.0058541200000000, 0.0046348500000000 ] - [ -0.0006782600000000, -0.0012499700000000, 0.0000252300000000 ] - [ 0.0002254900000000, -0.0011192100000000, -0.0004306600000000 ] - [ -0.0006722800000000, -0.0004174700000000, -0.0001436000000000 ] - [ -0.0006129700000000, -0.0003148100000000, -0.0002337300000000 ] - [ -0.0008099500000000, 0.0001230300000000, 0.0002128400000000 ] - [ -0.0059750500000000, 0.0143514800000000, -0.0192693600000000 ] - [ -0.0000625100000000, 0.0002558800000000, 0.0000230300000000 ] - [ 0.0002910200000000, 0.0006923400000000, -0.0005634500000000 ] - [ -0.0009845200000000, -0.0000938400000000, -0.0001500600000000 ] - [ 0.0003161500000000, 0.0009772100000000, 0.0012532000000000 ] - [ -0.0001716600000000, 0.0006893400000000, 0.0000677100000000 ] - [ -0.0004133700000000, 0.0029437500000000, 0.0002260900000000 ] - [ -0.0008065500000000, 0.0016100200000000, -0.0001050400000000 ] - [ 0.0011448300000000, 0.0032419700000000, 0.0010766200000000 ] - [ -0.0003381200000000, -0.0005321500000000, 0.0001537500000000 ] - [ 0.0001998600000000, -0.0006162700000000, -0.0000984100000000 ] - [ -0.0001571000000000, -0.0004152900000000, -0.0001261100000000 ] - [ -0.0001912300000000, 0.0016644800000000, -0.0003259800000000 ] - [ -0.0010166500000000, 0.0009281300000000, -0.0001404300000000 ] - [ -0.0048288000000000, -0.0074872200000000, 0.0074074000000000 ] - [ -0.0011479100000000, -0.0008090500000000, 0.0002000900000000 ] - [ 0.0014433600000000, 0.0004157100000000, -0.0011797900000000 ] - [ 0.0004230100000000, -0.0004775900000000, -0.0004805500000000 ] - [ 0.0075506600000000, -0.0059329100000000, 0.0004955200000000 ] - [ -0.0014645100000000, -0.0002869500000000, -0.0001147200000000 ] - [ 0.0044272600000000, 0.0031786500000000, -0.0005433900000000 ] - [ -0.0017593000000000, 0.0004262700000000, -0.0005507500000000 ] - [ -0.0000948200000000, 0.0005745400000000, 0.0001458100000000 ] - [ -0.0005416900000000, 0.0003163200000000, 0.0000647900000000 ] - [ -0.0004093000000000, -0.0012615400000000, -0.0000728700000000 ] - [ -0.0009668200000000, -0.0010035000000000, 0.0000976800000000 ] - [ 0.0006113700000000, -0.0007402300000000, 0.0005262200000000 ] - [ -0.0006342200000000, 0.0000152100000000, 0.0004424000000000 ] - [ -0.0017584000000000, 0.0005770600000000, 0.0015716500000000 ] - [ 0.0010744900000000, 0.0005734500000000, 0.0003272200000000 ] - [ 0.0007659200000000, 0.0005101200000000, 0.0003518000000000 ] - [ 0.0003390800000000, 0.0005338900000000, 0.0011014500000000 ] - [ -0.0004596800000000, 0.0000943800000000, -0.0008924200000000 ] - [ -0.0001521000000000, 0.0000959800000000, -0.0005220100000000 ] - [ -0.0003576800000000, 0.0004170400000000, 0.0000372600000000 ] - [ -0.0007162900000000, 0.0003388100000000, 0.0000546700000000 ] - [ -0.0007238400000000, -0.0010268800000000, -0.0012444200000000 ] - [ -0.0006986000000000, -0.0004117100000000, 0.0001015200000000 ] - [ 0.0008719400000000, 0.0049416600000000, 0.0006028700000000 ] - [ 0.0001406900000000, -0.0002388600000000, -0.0000001100000000 ] - [ 0.0004991800000000, 0.0003057600000000, 0.0001255900000000 ] - [ -0.0007184100000000, 0.0003145800000000, -0.0008835500000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005768100000000, -0.0000367600000000, 0.0004558500000000 ] - [ -0.0000210500000000, -0.0002020800000000, 0.0000923300000000 ] - [ 0.0027692900000000, 0.0010247800000000, 0.0020364100000000 ] - [ -0.0003314100000000, 0.0000149600000000, 0.0001683500000000 ] - [ 0.0013531700000000, -0.0043855800000000, 0.0015933500000000 ] - [ -0.0004123600000000, -0.0000860200000000, -0.0000702900000000 ] - [ -0.0009094600000000, 0.0011835000000000, -0.0010962000000000 ] - [ -0.0001467100000000, 0.0001889000000000, 0.0001116600000000 ] - [ -0.0010721700000000, -0.0016122300000000, -0.0004270000000000 ] - [ -0.0000156300000000, -0.0025947600000000, 0.0009064800000000 ] - [ 0.0043020800000000, -0.0015316800000000, -0.0017987100000000 ] - [ -0.0008413500000000, 0.0002919200000000, -0.0000622700000000 ] - [ 0.0012905000000000, 0.0016343800000000, 0.0015564600000000 ] - [ -0.0005134900000000, 0.0001808900000000, -0.0000699300000000 ] - [ -0.0007025500000000, 0.0034001700000000, 0.0013771500000000 ] - [ -0.0007734000000000, 0.0001510600000000, -0.0005511900000000 ] - [ -0.0002023600000000, 0.0011629200000000, 0.0002118500000000 ] - [ -0.0049725600000000, 0.0008203900000000, -0.0014252400000000 ] - [ 0.0006161500000000, -0.0001402400000000, -0.0005249000000000 ] - [ 0.0000034800000000, -0.0002437100000000, -0.0003127900000000 ] - [ 0.0024485200000000, 0.0093561600000000, 0.0003075100000000 ] - [ -0.0009996800000000, 0.0004111000000000, -0.0003227300000000 ] - [ 0.0009076400000000, -0.0000583100000000, -0.0002430300000000 ] - [ 0.0000150000000000, 0.0001045100000000, 0.0003553300000000 ] - [ 0.0322400700000000, -0.0415779500000000, -0.0126996000000000 ] - [ -0.0003568000000000, -0.0009325900000000, -0.0000557900000000 ] - [ 0.0502105300000000, -0.0607353400000000, 0.0374360300000000 ] - [ -0.0007422200000000, -0.0000603400000000, -0.0002854500000000 ] - [ -0.0010375300000000, 0.0000815000000000, 0.0002565100000000 ] - [ -0.0013591300000000, 0.0001444000000000, 0.0006113600000000 ] - [ 0.0003742000000000, -0.0019520000000000, 0.0000468800000000 ] - [ -0.0007460300000000, -0.0003532200000000, -0.0001030600000000 ] - [ -0.0000115300000000, 0.0013639000000000, -0.0007010700000000 ] - [ -0.0015530700000000, -0.0000647800000000, -0.0003734500000000 ] - [ 0.0043707800000000, 0.0021134700000000, 0.0033188500000000 ] - [ -0.0013566200000000, -0.0004420400000000, -0.0002976500000000 ] - [ 0.0003056500000000, 0.0009004900000000, -0.0002465900000000 ] - [ -0.0005078300000000, 0.0005798500000000, -0.0000702800000000 ] - [ -0.0014653600000000, 0.0096055200000000, 0.0077298700000000 ] - [ 0.0000531300000000, 0.0009706600000000, -0.0005072000000000 ] - [ 0.0208757800000000, -0.0166813500000000, -0.0049198600000000 ] - [ 0.0000154500000000, 0.0007773800000000, -0.0000462600000000 ] - [ 0.0150943300000000, -0.0030729200000000, 0.0021781000000000 ] - [ 0.0002901600000000, -0.0004009900000000, 0.0004852900000000 ] - [ -0.1164014800000000, 0.1183610600000000, -0.0384734900000000 ] - [ 0.0015043400000000, -0.0000705900000000, 0.0002452100000000 ] - [ -0.0026197900000000, -0.0038388500000000, -0.0019971600000000 ] - [ 0.0008026400000000, -0.0001459200000000, -0.0003101000000000 ] - [ -0.0061569100000000, 0.0043081000000000, -0.0045473900000000 ] - [ 0.0004695500000000, -0.0002436000000000, 0.0001042300000000 ] - [ -0.0009343100000000, 0.0005422200000000, 0.0004019500000000 ] - [ -0.0000338600000000, -0.0001573000000000, 0.0001193100000000 ] - [ -0.0004818600000000, 0.0005351500000000, 0.0005751900000000 ] - [ -0.0002840300000000, 0.0000944500000000, 0.0001285600000000 ] - [ 0.0067769600000000, -0.0139103900000000, 0.0195637300000000 ] - [ 0.0007729800000000, 0.0003213300000000, -0.0000497900000000 ] - [ -0.0013948100000000, -0.0009106100000000, 0.0002155600000000 ] - [ -0.0001093800000000, -0.0001219300000000, -0.0001929500000000 ] - [ -0.0001048500000000, 0.0005172100000000, -0.0011329300000000 ] - [ 0.0003838800000000, 0.0008021000000000, 0.0000617500000000 ] - [ 0.0011083300000000, -0.0034933800000000, -0.0001980700000000 ] - [ 0.0015183100000000, -0.0021861100000000, 0.0001351700000000 ] - [ 0.0000527600000000, -0.0048303000000000, -0.0010578300000000 ] - [ 0.0015156100000000, -0.0010538400000000, -0.0001587300000000 ] - [ 0.0000091900000000, -0.0008716500000000, -0.0000322400000000 ] - [ 0.0003696200000000, -0.0010747200000000, -0.0000043000000000 ] - [ -0.0009839900000000, -0.0000755000000000, 0.0003137200000000 ] - [ -0.0001591200000000, 0.0006595000000000, 0.0001366100000000 ] - [ 0.0034139500000000, 0.0063063000000000, -0.0066123300000000 ] - [ -0.0003202500000000, -0.0002984900000000, 0.0006487800000000 ] - [ 0.0000219200000000, -0.0015272200000000, 0.0003323900000000 ] - [ 0.0010470800000000, -0.0006298600000000, -0.0003688300000000 ] - [ -0.0062966500000000, 0.0075484700000000, -0.0004992800000000 ] - [ 0.0026471100000000, 0.0018762300000000, 0.0001208200000000 ] - [ -0.0058393000000000, -0.0020671400000000, -0.0003055800000000 ] - [ 0.0002868000000000, 0.0006799800000000, -0.0002963400000000 ] - [ -0.0006137300000000, -0.0000023800000000, -0.0001279800000000 ] - [ -0.0001653400000000, 0.0002606800000000, -0.0000402300000000 ] - [ -0.0007669200000000, -0.0003214800000000, 0.0000712900000000 ] - [ -0.0002086100000000, -0.0005810900000000, -0.0000956800000000 ] - [ -0.0010607500000000, 0.0007892900000000, 0.0004812600000000 ] - [ 0.0001910300000000, 0.0000297100000000, 0.0005722400000000 ] - [ 0.0028451700000000, -0.0003651300000000, -0.0019000200000000 ] - [ 0.0000165200000000, -0.0003694600000000, -0.0006624400000000 ] - [ 0.0007036700000000, 0.0006016200000000, 0.0004954000000000 ] - [ 0.0011330600000000, 0.0005763200000000, -0.0002573400000000 ] - [ 0.0000137800000000, -0.0001391300000000, -0.0001255700000000 ] - [ -0.0002895600000000, -0.0001399400000000, -0.0004963300000000 ] - [ -0.0006008200000000, 0.0002565600000000, -0.0000623400000000 ] - [ -0.0002417000000000, 0.0003372200000000, -0.0000743400000000 ] - [ -0.0002384100000000, 0.0003475000000000, 0.0012597700000000 ] - [ -0.0002582800000000, -0.0002636700000000, -0.0000840700000000 ] - [ 0.0000946900000000, -0.0056665700000000, -0.0006182100000000 ] - [ 0.0008190900000000, -0.0004344100000000, -0.0000173500000000 ] - [ 0.0004603000000000, 0.0003783100000000, -0.0001123800000000 ] - [ 0.0016775700000000, 0.0003633800000000, 0.0009035700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015903500000000, -0.0001184300000000, -0.0007393300000000 ] - [ -0.0010819700000000, 0.0000005600000000, -0.0010372100000000 ] - [ -0.0027965700000000, -0.0035393800000000, -0.0010982800000000 ] - [ 0.0001909900000000, -0.0000569200000000, 0.0001041700000000 ] - [ 0.0002096400000000, -0.0013708200000000, 0.0032509100000000 ] - [ -0.0001000000000000, -0.0000378700000000, 0.0000221000000000 ] - [ -0.0009449600000000, 0.0004812500000000, -0.0012261800000000 ] - [ 0.0002386800000000, 0.0000630900000000, -0.0001233200000000 ] - [ -0.0019411200000000, 0.0000497700000000, 0.0000366900000000 ] - [ 0.0025439900000000, -0.0001011800000000, 0.0003129100000000 ] - [ 0.0019175800000000, 0.0033403300000000, -0.0033802800000000 ] - [ -0.0002998000000000, 0.0002748900000000, -0.0001177500000000 ] - [ -0.0011695400000000, -0.0026724200000000, -0.0038409800000000 ] - [ 0.0000304800000000, 0.0002208100000000, -0.0003023400000000 ] - [ 0.0011947700000000, -0.0007466700000000, 0.0000998700000000 ] - [ -0.0003780900000000, -0.0003536000000000, -0.0000661100000000 ] - [ -0.0009357300000000, -0.0013363400000000, 0.0017875800000000 ] - [ 0.0004960500000000, -0.0001304500000000, 0.0017490400000000 ] - [ 0.0011375700000000, 0.0009022700000000, -0.0019715700000000 ] - [ 0.0002199600000000, -0.0002376700000000, -0.0006003600000000 ] - [ 0.0019165600000000, 0.0041864500000000, 0.0051153200000000 ] - [ -0.0004681100000000, 0.0001529500000000, -0.0001166700000000 ] - [ 0.0002196700000000, 0.0002061200000000, -0.0036041900000000 ] - [ 0.0004195300000000, 0.0002249600000000, 0.0000728000000000 ] - [ -0.0591416200000000, 0.0163339900000000, 0.0658768000000000 ] - [ 0.0007198500000000, 0.0000778500000000, 0.0008515700000000 ] - [ 0.0683158000000000, -0.0418455600000000, 0.0874459400000000 ] - [ -0.0000655000000000, 0.0004953200000000, 0.0005741500000000 ] - [ -0.0005409800000000, 0.0004299600000000, -0.0010352100000000 ] - [ -0.0005762700000000, -0.0000042200000000, -0.0008308000000000 ] - [ -0.0001232400000000, -0.0006948300000000, -0.0059534700000000 ] - [ -0.0001294100000000, -0.0003216300000000, -0.0003834300000000 ] - [ -0.0017985500000000, -0.0016191400000000, -0.0038908300000000 ] - [ -0.0008193500000000, -0.0000924700000000, -0.0005522100000000 ] - [ -0.0012049700000000, -0.0066587400000000, 0.0085681800000000 ] - [ 0.0013555900000000, 0.0002043100000000, 0.0004952700000000 ] - [ -0.0005753500000000, -0.0000612200000000, -0.0019462400000000 ] - [ 0.0003022700000000, 0.0003513700000000, -0.0007033300000000 ] - [ 0.0007631800000000, 0.0001737400000000, 0.0040501400000000 ] - [ -0.0006661100000000, -0.0007576100000000, 0.0015338400000000 ] - [ 0.0044339800000000, -0.0049889200000000, -0.0067919500000000 ] - [ -0.0000118800000000, 0.0006752200000000, -0.0004699600000000 ] - [ -0.0065358900000000, 0.0034289400000000, -0.0055924500000000 ] - [ 0.0008943100000000, 0.0001144500000000, 0.0002353600000000 ] - [ -0.0155959000000000, 0.0385462900000000, -0.1667160200000000 ] - [ 0.0005832200000000, -0.0001835800000000, -0.0000054500000000 ] - [ -0.0013502500000000, -0.0009143100000000, -0.0021940900000000 ] - [ 0.0005355100000000, 0.0001555300000000, -0.0006826100000000 ] - [ 0.0163594000000000, 0.0047111000000000, 0.0046594700000000 ] - [ -0.0003160100000000, -0.0008642400000000, -0.0002650100000000 ] - [ -0.0020002500000000, -0.0006232700000000, 0.0035416800000000 ] - [ -0.0001680600000000, -0.0002648400000000, 0.0002105600000000 ] - [ -0.0009123800000000, 0.0005121900000000, 0.0018342000000000 ] - [ -0.0006907000000000, 0.0000667900000000, 0.0004924200000000 ] - [ 0.0064540500000000, -0.0153550100000000, 0.0063983100000000 ] - [ 0.0004222000000000, 0.0003009300000000, -0.0001696100000000 ] - [ 0.0000973700000000, 0.0002794400000000, 0.0011681200000000 ] - [ -0.0007159400000000, -0.0001300800000000, -0.0000422500000000 ] - [ -0.0001322200000000, 0.0021179100000000, 0.0032765400000000 ] - [ 0.0000974600000000, 0.0007368700000000, 0.0001722700000000 ] - [ 0.0006380100000000, -0.0001743400000000, -0.0009703100000000 ] - [ -0.0001905700000000, 0.0001570200000000, -0.0007444000000000 ] - [ 0.0011290900000000, -0.0012054200000000, -0.0017800300000000 ] - [ 0.0004727300000000, -0.0007793800000000, -0.0001099300000000 ] - [ 0.0000472100000000, -0.0008605700000000, 0.0005766500000000 ] - [ 0.0001067700000000, -0.0007411200000000, 0.0004264300000000 ] - [ -0.0008287800000000, 0.0004248100000000, 0.0013341500000000 ] - [ -0.0005164600000000, 0.0007881300000000, 0.0000966900000000 ] - [ -0.0184090900000000, 0.0044721300000000, 0.0149063300000000 ] - [ -0.0004701500000000, -0.0006059500000000, 0.0002807400000000 ] - [ 0.0010632100000000, -0.0003961100000000, 0.0025031800000000 ] - [ 0.0007278300000000, -0.0005605600000000, -0.0002477600000000 ] - [ 0.0081263300000000, 0.0034372800000000, -0.0079365800000000 ] - [ 0.0002272500000000, 0.0006347000000000, -0.0005234300000000 ] - [ -0.0033476000000000, -0.0009524100000000, -0.0042436200000000 ] - [ -0.0005589300000000, 0.0004164000000000, -0.0008905200000000 ] - [ -0.0006964600000000, 0.0006859200000000, 0.0023963800000000 ] - [ -0.0004130900000000, 0.0003479500000000, 0.0003536000000000 ] - [ -0.0009979300000000, -0.0008462700000000, 0.0021288500000000 ] - [ -0.0006712900000000, -0.0008755500000000, 0.0004419200000000 ] - [ 0.0005248700000000, -0.0003358500000000, 0.0036794200000000 ] - [ -0.0002229200000000, 0.0000240000000000, 0.0006669600000000 ] - [ 0.0000763800000000, 0.0006055300000000, -0.0015663200000000 ] - [ 0.0024875800000000, 0.0018499900000000, -0.0015631700000000 ] - [ 0.0011629100000000, 0.0007203100000000, 0.0011489700000000 ] - [ 0.0002229400000000, 0.0007323700000000, 0.0009494100000000 ] - [ 0.0000475400000000, -0.0001763300000000, 0.0000397600000000 ] - [ -0.0008572200000000, -0.0003700900000000, -0.0000952700000000 ] - [ -0.0002434700000000, 0.0002150300000000, 0.0016721400000000 ] - [ -0.0005645600000000, 0.0003838400000000, 0.0002266700000000 ] - [ 0.0017563400000000, -0.0007995000000000, 0.0040326000000000 ] - [ -0.0006451000000000, -0.0003441000000000, 0.0001361200000000 ] - [ -0.0000024700000000, 0.0005563800000000, -0.0029286600000000 ] - [ 0.0005389200000000, -0.0003089500000000, -0.0001333100000000 ] - [ -0.0001976400000000, 0.0000390200000000, -0.0011095400000000 ] - [ 0.0010045200000000, 0.0001074400000000, -0.0006408500000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017607700000000, 0.0002110000000000, 0.0008102000000000 ] - [ 0.0009054800000000, 0.0000917200000000, 0.0011037300000000 ] - [ 0.0029746800000000, 0.0034409400000000, 0.0011437500000000 ] - [ -0.0000204300000000, -0.0000358700000000, -0.0000394400000000 ] - [ -0.0003793900000000, 0.0015722600000000, -0.0035443400000000 ] - [ -0.0000748800000000, -0.0000544500000000, -0.0000922400000000 ] - [ 0.0011199600000000, -0.0003877200000000, 0.0011584600000000 ] - [ -0.0000644800000000, 0.0000307800000000, 0.0000567200000000 ] - [ 0.0020540300000000, -0.0005271900000000, 0.0001979600000000 ] - [ -0.0024408800000000, -0.0003805900000000, -0.0000619200000000 ] - [ -0.0020282600000000, -0.0028494800000000, 0.0036458300000000 ] - [ 0.0001826600000000, 0.0002088500000000, 0.0003776900000000 ] - [ 0.0012794900000000, 0.0031467000000000, 0.0035854400000000 ] - [ 0.0000814200000000, 0.0002621300000000, 0.0000457600000000 ] - [ -0.0013163100000000, 0.0002636800000000, -0.0003696700000000 ] - [ 0.0002605400000000, -0.0001314500000000, -0.0001998400000000 ] - [ 0.0001661800000000, 0.0008635700000000, -0.0011680500000000 ] - [ -0.0012299800000000, -0.0003136400000000, -0.0011362200000000 ] - [ -0.0003922900000000, -0.0013499600000000, 0.0013720200000000 ] - [ 0.0005331300000000, -0.0002031000000000, -0.0000018500000000 ] - [ -0.0026556400000000, -0.0037397700000000, -0.0057025000000000 ] - [ -0.0002860200000000, 0.0002880700000000, -0.0004837400000000 ] - [ 0.0005358700000000, 0.0002355600000000, 0.0042092500000000 ] - [ 0.0003295000000000, 0.0002165600000000, 0.0005267900000000 ] - [ 0.0596415800000000, -0.0161721400000000, -0.0655972100000000 ] - [ 0.0010370900000000, -0.0003219500000000, -0.0002248300000000 ] - [ -0.0653785300000000, 0.0408005800000000, -0.0867935400000000 ] - [ 0.0003209600000000, -0.0000091100000000, -0.0006301100000000 ] - [ -0.0012110500000000, -0.0001808700000000, 0.0016552800000000 ] - [ -0.0011931200000000, 0.0002522000000000, 0.0014532900000000 ] - [ -0.0001512800000000, 0.0002161800000000, 0.0059088500000000 ] - [ -0.0001363300000000, -0.0001620200000000, 0.0003178900000000 ] - [ 0.0000437000000000, 0.0013836600000000, 0.0032700900000000 ] - [ -0.0009438500000000, -0.0001532900000000, -0.0000727000000000 ] - [ 0.0029855300000000, 0.0068900100000000, -0.0091631400000000 ] - [ 0.0003997300000000, 0.0000433400000000, -0.0011160400000000 ] - [ 0.0003211400000000, 0.0005396600000000, 0.0020063900000000 ] - [ -0.0005732100000000, 0.0001310300000000, 0.0007653200000000 ] - [ -0.0005038600000000, -0.0006274400000000, -0.0039464400000000 ] - [ 0.0009278800000000, 0.0002723800000000, -0.0014646900000000 ] - [ -0.0045976300000000, 0.0064473900000000, 0.0066484000000000 ] - [ -0.0001982700000000, 0.0008154400000000, 0.0003377400000000 ] - [ 0.0069723800000000, -0.0034808300000000, 0.0065892400000000 ] - [ -0.0004342500000000, -0.0001530200000000, 0.0007790000000000 ] - [ 0.0151405900000000, -0.0378194800000000, 0.1665453800000000 ] - [ 0.0005171500000000, -0.0000355700000000, 0.0003445200000000 ] - [ 0.0017837900000000, 0.0009533400000000, 0.0011676800000000 ] - [ -0.0000925100000000, -0.0001120200000000, -0.0003352700000000 ] - [ -0.0163360700000000, -0.0061284200000000, -0.0044606500000000 ] - [ 0.0001067800000000, -0.0006279300000000, 0.0003931700000000 ] - [ 0.0013060400000000, 0.0000489300000000, -0.0035849800000000 ] - [ -0.0005402900000000, -0.0003143800000000, -0.0002346300000000 ] - [ -0.0001772200000000, -0.0002984400000000, -0.0014977400000000 ] - [ -0.0004082800000000, 0.0001500600000000, -0.0001517100000000 ] - [ -0.0056754000000000, 0.0156878900000000, -0.0063468100000000 ] - [ 0.0002901500000000, 0.0002796000000000, 0.0001410500000000 ] - [ -0.0012009700000000, -0.0004977300000000, -0.0015080100000000 ] - [ -0.0003769700000000, -0.0000856400000000, -0.0002976300000000 ] - [ 0.0003457400000000, -0.0006399300000000, -0.0031590000000000 ] - [ 0.0001136200000000, 0.0007535500000000, -0.0000399300000000 ] - [ 0.0000739000000000, -0.0004027900000000, 0.0009945300000000 ] - [ 0.0008974400000000, -0.0007322200000000, 0.0007684600000000 ] - [ 0.0000490400000000, -0.0003913400000000, 0.0017680400000000 ] - [ 0.0007095800000000, -0.0008108000000000, 0.0001027000000000 ] - [ 0.0001599400000000, -0.0006292100000000, -0.0007074300000000 ] - [ 0.0001066400000000, -0.0007494000000000, -0.0005577300000000 ] - [ -0.0003475900000000, 0.0011658900000000, -0.0013376200000000 ] - [ -0.0006630500000000, 0.0008021200000000, -0.0000993000000000 ] - [ 0.0166438800000000, -0.0054869100000000, -0.0137855300000000 ] - [ -0.0009974100000000, -0.0005026800000000, 0.0005637000000000 ] - [ 0.0004039200000000, -0.0007138200000000, -0.0033528200000000 ] - [ 0.0007420300000000, -0.0005474500000000, -0.0005980300000000 ] - [ -0.0068444700000000, -0.0018520100000000, 0.0079437000000000 ] - [ 0.0009507300000000, 0.0009513300000000, 0.0005270400000000 ] - [ 0.0018659800000000, 0.0020588200000000, 0.0034005400000000 ] - [ -0.0009060400000000, 0.0006907000000000, 0.0000430000000000 ] - [ -0.0000177400000000, -0.0001001800000000, -0.0023681400000000 ] - [ -0.0002934000000000, 0.0002310700000000, -0.0003302800000000 ] - [ -0.0001889400000000, -0.0007482000000000, -0.0021241900000000 ] - [ -0.0005049700000000, -0.0007130300000000, -0.0004393700000000 ] - [ -0.0009671300000000, 0.0003795800000000, -0.0026684200000000 ] - [ -0.0002174800000000, 0.0000200700000000, 0.0003476500000000 ] - [ 0.0010222400000000, -0.0003859100000000, 0.0012167600000000 ] - [ -0.0013825800000000, -0.0016225400000000, 0.0012197400000000 ] - [ 0.0003025900000000, 0.0003883200000000, -0.0002978800000000 ] - [ 0.0012500000000000, 0.0003753600000000, -0.0001012800000000 ] - [ -0.0004935100000000, 0.0001329800000000, -0.0010505800000000 ] - [ 0.0004194800000000, 0.0003289200000000, -0.0009175000000000 ] - [ -0.0007125700000000, 0.0004623800000000, -0.0016945300000000 ] - [ -0.0003941900000000, 0.0002917900000000, -0.0002464400000000 ] - [ -0.0027377000000000, 0.0001301800000000, -0.0040320700000000 ] - [ -0.0003113500000000, -0.0003319400000000, -0.0001161000000000 ] - [ 0.0009567800000000, -0.0012309900000000, 0.0029121100000000 ] - [ 0.0004206100000000, -0.0003648600000000, 0.0001127800000000 ] - [ 0.0011541000000000, 0.0006364500000000, 0.0011165800000000 ] - [ -0.0000471300000000, 0.0005667300000000, 0.0006558500000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012078300000000, 0.0001467500000000, -0.0003757900000000 ] - [ 0.0004475300000000, 0.0000315500000000, 0.0011958300000000 ] - [ -0.0007825200000000, -0.0007750200000000, 0.0012646000000000 ] - [ -0.0010734600000000, 0.0002063500000000, -0.0004322800000000 ] - [ 0.0033584700000000, 0.0008309600000000, 0.0014982000000000 ] - [ -0.0013521300000000, -0.0001263400000000, -0.0002460300000000 ] - [ 0.0016775800000000, 0.0000183000000000, 0.0002651500000000 ] - [ -0.0009209700000000, -0.0000012100000000, -0.0001394500000000 ] - [ -0.0028169700000000, -0.0000864200000000, 0.0010759700000000 ] - [ 0.0145269800000000, 0.0014468300000000, 0.0029849900000000 ] - [ -0.0010583600000000, -0.0022906600000000, -0.0029268300000000 ] - [ -0.0014440000000000, 0.0004816000000000, 0.0008476800000000 ] - [ 0.0025316800000000, 0.0034925700000000, -0.0033311100000000 ] - [ -0.0019178600000000, 0.0000724100000000, 0.0003853000000000 ] - [ 0.0056641000000000, -0.0009951800000000, -0.0007312200000000 ] - [ -0.0020892000000000, -0.0003716700000000, 0.0000812100000000 ] - [ -0.0016526400000000, -0.0003409300000000, 0.0001411000000000 ] - [ 0.0011780700000000, 0.0003350900000000, -0.0003407100000000 ] - [ 0.0278896800000000, 0.0084282100000000, -0.0037054300000000 ] - [ -0.0017396400000000, -0.0001656700000000, -0.0003892100000000 ] - [ 0.0009792800000000, -0.0001677600000000, -0.0002370000000000 ] - [ -0.0015653100000000, 0.0002963800000000, -0.0003381700000000 ] - [ -0.0066978000000000, 0.0013698900000000, -0.0002824700000000 ] - [ -0.0020788300000000, 0.0006269500000000, 0.0015788700000000 ] - [ 0.0007545700000000, -0.0002744600000000, -0.0000116200000000 ] - [ -0.0020402200000000, -0.0008044000000000, -0.0008010100000000 ] - [ 0.0056225300000000, -0.0001938000000000, -0.0004084100000000 ] - [ -0.0027771800000000, 0.0003481400000000, -0.0000756400000000 ] - [ -0.0049114000000000, -0.0006447800000000, 0.0006768800000000 ] - [ 0.0002175200000000, 0.0027562400000000, 0.0053596000000000 ] - [ 0.0758544400000000, 0.0592758200000000, 0.0517924500000000 ] - [ -0.0039748100000000, -0.0001978600000000, 0.0001250900000000 ] - [ -0.0009099200000000, -0.0053685100000000, -0.0035355400000000 ] - [ -0.0048034600000000, -0.0005172400000000, -0.0000079600000000 ] - [ 0.0040069500000000, 0.0004551300000000, -0.0026377300000000 ] - [ -0.0015162800000000, 0.0000050300000000, -0.0000401300000000 ] - [ -0.0033814200000000, 0.0014664100000000, 0.0002403900000000 ] - [ -0.0063167000000000, -0.0017662300000000, 0.0057764000000000 ] - [ -0.0012244400000000, 0.0001982700000000, 0.0003385800000000 ] - [ 0.0001846900000000, -0.0005524200000000, -0.0012291100000000 ] - [ 0.0004244600000000, 0.0002269000000000, -0.0004625600000000 ] - [ 0.0005681600000000, 0.0012228900000000, 0.0008893000000000 ] - [ -0.0029181100000000, -0.0002959300000000, 0.0020297400000000 ] - [ 0.0018478200000000, -0.0001973000000000, 0.0001874200000000 ] - [ -0.0012479000000000, 0.0004711400000000, -0.0014842600000000 ] - [ 0.0026451500000000, -0.0004276800000000, 0.0003555700000000 ] - [ 0.0000108300000000, 0.0000864700000000, 0.0001331200000000 ] - [ 0.0009936800000000, 0.0001902900000000, -0.0004019400000000 ] - [ -0.0020296300000000, -0.0014546700000000, 0.0006213100000000 ] - [ 0.0010597400000000, -0.0004194800000000, 0.0001218200000000 ] - [ -0.1293098700000000, -0.0969155500000000, -0.0710167000000000 ] - [ 0.0014459000000000, -0.0000450400000000, 0.0002575200000000 ] - [ -0.0089849300000000, -0.0062114600000000, -0.0058687100000000 ] - [ 0.0023286200000000, -0.0003098500000000, 0.0001017100000000 ] - [ -0.0016392900000000, 0.0004438500000000, 0.0008210900000000 ] - [ 0.0016051100000000, 0.0004068000000000, -0.0002472300000000 ] - [ 0.0008137500000000, 0.0006539200000000, 0.0001130500000000 ] - [ 0.0035395400000000, 0.0010557500000000, -0.0007147000000000 ] - [ 0.0019818700000000, 0.0162111300000000, 0.0034622200000000 ] - [ 0.0018173300000000, 0.0013238200000000, -0.0000755900000000 ] - [ 0.0011624400000000, -0.0003489400000000, -0.0000251600000000 ] - [ -0.0000348600000000, -0.0004592700000000, 0.0007040100000000 ] - [ -0.0017207500000000, -0.0002171900000000, 0.0010863400000000 ] - [ 0.0020223900000000, -0.0011211100000000, -0.0003314900000000 ] - [ 0.0014254500000000, -0.0010223800000000, 0.0000421600000000 ] - [ -0.0000151900000000, 0.0003810400000000, -0.0024057700000000 ] - [ -0.0075161900000000, -0.0034460300000000, -0.0002971200000000 ] - [ 0.0016501200000000, 0.0002493900000000, 0.0002860000000000 ] - [ -0.0002840400000000, -0.0008419400000000, 0.0020535100000000 ] - [ 0.0000901900000000, -0.0003666200000000, 0.0007336500000000 ] - [ -0.0003813000000000, 0.0007998700000000, 0.0012422000000000 ] - [ 0.0021231900000000, -0.0004631000000000, -0.0006821500000000 ] - [ 0.0014221500000000, 0.0011633600000000, -0.0001453300000000 ] - [ 0.0025744200000000, -0.0005813400000000, 0.0031214200000000 ] - [ -0.0038674200000000, 0.0022058800000000, 0.0027456100000000 ] - [ 0.0004387000000000, 0.0004509500000000, -0.0007648300000000 ] - [ 0.0016596600000000, -0.0015340500000000, 0.0005982700000000 ] - [ 0.0016542200000000, 0.0001100100000000, -0.0016679600000000 ] - [ 0.0030678200000000, 0.0007750300000000, 0.0001098500000000 ] - [ 0.0003796000000000, -0.0014276600000000, -0.0016269800000000 ] - [ 0.0107363300000000, 0.0079787600000000, 0.0208689400000000 ] - [ 0.0019542000000000, -0.0003496300000000, 0.0004723000000000 ] - [ 0.0020516600000000, 0.0002973000000000, -0.0001075700000000 ] - [ -0.0005808800000000, -0.0001510400000000, 0.0001751600000000 ] - [ 0.0024318100000000, 0.0009518200000000, -0.0000708000000000 ] - [ 0.0019707000000000, -0.0056961700000000, 0.0002207500000000 ] - [ 0.0021226600000000, -0.0000532400000000, -0.0008944100000000 ] - [ 0.0116200300000000, 0.0177270600000000, -0.0021988100000000 ] - [ -0.0063391200000000, 0.0026657200000000, -0.0041552600000000 ] - [ 0.0006445000000000, 0.0003178300000000, 0.0001524300000000 ] - [ 0.0043594300000000, -0.0003219300000000, -0.0006341900000000 ] - [ 0.0016869400000000, -0.0005413700000000, -0.0007688400000000 ] - [ -0.0006401300000000, -0.0001374700000000, -0.0005047300000000 ] - [ 0.0013190100000000, -0.0003569000000000, 0.0000206800000000 ] - [ 0.0012829100000000, 0.0004267100000000, 0.0003575100000000 ] - [ -0.0000635800000000, 0.0002723000000000, 0.0000630000000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010324500000000, -0.0000551100000000, 0.0004434600000000 ] - [ -0.0006062400000000, 0.0000596900000000, -0.0011336500000000 ] - [ 0.0009525300000000, 0.0006867800000000, -0.0011970600000000 ] - [ 0.0012432700000000, -0.0002956800000000, 0.0005016600000000 ] - [ -0.0036365600000000, -0.0008371300000000, -0.0014455500000000 ] - [ 0.0011770300000000, 0.0000327800000000, 0.0001783400000000 ] - [ -0.0015016600000000, 0.0000726100000000, -0.0003486200000000 ] - [ 0.0010937600000000, 0.0000943800000000, 0.0000720500000000 ] - [ 0.0029353500000000, -0.0003968300000000, -0.0008204200000000 ] - [ -0.0137305300000000, -0.0019557400000000, -0.0021205200000000 ] - [ 0.0009359300000000, 0.0027786600000000, 0.0031799600000000 ] - [ 0.0013343900000000, 0.0000035000000000, -0.0005931200000000 ] - [ -0.0024400300000000, -0.0030166500000000, 0.0030593700000000 ] - [ 0.0020324300000000, 0.0004095600000000, -0.0006444500000000 ] - [ -0.0057581800000000, 0.0005116000000000, 0.0004827800000000 ] - [ 0.0019723900000000, -0.0001117300000000, -0.0003395100000000 ] - [ 0.0008997800000000, -0.0000993500000000, 0.0004581100000000 ] - [ -0.0019166100000000, -0.0007663900000000, 0.0009300600000000 ] - [ -0.0272332300000000, -0.0086324800000000, 0.0031094800000000 ] - [ 0.0024893400000000, -0.0002764700000000, -0.0002105300000000 ] - [ -0.0017326700000000, 0.0006089800000000, -0.0003648300000000 ] - [ 0.0008135900000000, 0.0001455000000000, -0.0002632500000000 ] - [ 0.0074517400000000, -0.0009243400000000, 0.0009106200000000 ] - [ 0.0028267400000000, -0.0001833900000000, -0.0009634100000000 ] - [ 0.0010011100000000, 0.0000286300000000, 0.0006300200000000 ] - [ 0.0037844800000000, 0.0005484000000000, 0.0014099900000000 ] - [ -0.0053523200000000, 0.0006757100000000, 0.0003364800000000 ] - [ 0.0030371700000000, 0.0001360500000000, 0.0000099700000000 ] - [ 0.0031462900000000, 0.0008934100000000, -0.0000485500000000 ] - [ -0.0018684800000000, -0.0024909900000000, -0.0046624900000000 ] - [ -0.0759744400000000, -0.0614017900000000, -0.0531144100000000 ] - [ 0.0037051600000000, -0.0002837100000000, -0.0001853800000000 ] - [ -0.0008967700000000, 0.0051259500000000, 0.0029022900000000 ] - [ 0.0030431900000000, 0.0002720100000000, -0.0006140400000000 ] - [ -0.0022372800000000, -0.0002105900000000, 0.0019950200000000 ] - [ 0.0032731400000000, 0.0002397800000000, -0.0005856100000000 ] - [ 0.0031048900000000, -0.0009915800000000, -0.0001762300000000 ] - [ 0.0060593300000000, 0.0022363400000000, -0.0056852900000000 ] - [ 0.0014846500000000, -0.0006831300000000, -0.0002775100000000 ] - [ 0.0000913000000000, 0.0000647300000000, 0.0012804100000000 ] - [ -0.0006333500000000, 0.0012654000000000, 0.0003328300000000 ] - [ -0.0007765600000000, 0.0002763100000000, -0.0010120500000000 ] - [ 0.0033503700000000, 0.0002488300000000, -0.0010125200000000 ] - [ -0.0014009800000000, 0.0001524200000000, 0.0008281900000000 ] - [ 0.0023492300000000, -0.0006891900000000, 0.0018257600000000 ] - [ -0.0015397400000000, 0.0002107300000000, -0.0000147300000000 ] - [ 0.0004386400000000, -0.0000419300000000, -0.0011444300000000 ] - [ -0.0005504700000000, -0.0001445900000000, -0.0006089200000000 ] - [ 0.0018185800000000, -0.0000362200000000, -0.0004792800000000 ] - [ -0.0012675300000000, -0.0010708000000000, 0.0000117900000000 ] - [ 0.1279592500000000, 0.0977783000000000, 0.0715989800000000 ] - [ -0.0021504900000000, -0.0005297500000000, -0.0002821600000000 ] - [ 0.0078031500000000, 0.0065402400000000, 0.0062637000000000 ] - [ -0.0034215800000000, 0.0005249300000000, 0.0002368500000000 ] - [ 0.0023474300000000, 0.0001293200000000, -0.0008386800000000 ] - [ -0.0008967900000000, 0.0001678200000000, 0.0002241800000000 ] - [ -0.0018955800000000, -0.0008670500000000, -0.0004538200000000 ] - [ -0.0046328000000000, -0.0012689800000000, 0.0003701200000000 ] - [ -0.0017681900000000, -0.0148658100000000, -0.0033398200000000 ] - [ -0.0016051200000000, 0.0001661100000000, 0.0002074100000000 ] - [ -0.0004517100000000, -0.0002272400000000, 0.0000507800000000 ] - [ 0.0007382300000000, -0.0001187900000000, -0.0006754100000000 ] - [ 0.0028971500000000, -0.0013688800000000, -0.0010786600000000 ] - [ -0.0008421400000000, -0.0004660100000000, 0.0003277700000000 ] - [ -0.0012101300000000, -0.0004697900000000, -0.0001741000000000 ] - [ 0.0001995200000000, -0.0018518600000000, 0.0022544000000000 ] - [ 0.0063926900000000, 0.0049400000000000, 0.0002906100000000 ] - [ -0.0028257000000000, 0.0013378600000000, -0.0002902000000000 ] - [ -0.0011823100000000, -0.0002644700000000, -0.0012039700000000 ] - [ -0.0015581800000000, -0.0007397200000000, 0.0001225400000000 ] - [ 0.0018683300000000, -0.0019118900000000, -0.0020865700000000 ] - [ -0.0006542000000000, -0.0006444200000000, -0.0001664500000000 ] - [ -0.0002421500000000, 0.0004228900000000, 0.0001505200000000 ] - [ -0.0013769600000000, 0.0021460800000000, -0.0030863600000000 ] - [ 0.0023768700000000, -0.0010868200000000, -0.0035870800000000 ] - [ -0.0019057200000000, 0.0006582100000000, -0.0000827300000000 ] - [ -0.0023597300000000, 0.0021131900000000, -0.0005783400000000 ] - [ -0.0023649100000000, 0.0004703600000000, 0.0016861800000000 ] - [ -0.0042363300000000, -0.0023620500000000, -0.0001119300000000 ] - [ -0.0015709100000000, -0.0001775000000000, 0.0016158600000000 ] - [ -0.0112500800000000, -0.0080109300000000, -0.0201312300000000 ] - [ -0.0023988700000000, 0.0003937200000000, 0.0005394400000000 ] - [ -0.0009506000000000, -0.0000789200000000, -0.0002308000000000 ] - [ 0.0016701300000000, 0.0003676400000000, -0.0005064400000000 ] - [ -0.0009604000000000, 0.0001539200000000, 0.0009176700000000 ] - [ -0.0005123600000000, 0.0067404000000000, 0.0006185000000000 ] - [ -0.0025639300000000, 0.0000126000000000, -0.0001211900000000 ] - [ -0.0119651300000000, -0.0175417700000000, 0.0011855400000000 ] - [ 0.0053406200000000, -0.0020533100000000, 0.0042156500000000 ] - [ -0.0016001200000000, 0.0003576600000000, -0.0001723200000000 ] - [ -0.0053607800000000, -0.0003569400000000, 0.0006498400000000 ] - [ -0.0026324100000000, -0.0001340400000000, 0.0007764300000000 ] - [ 0.0015976700000000, -0.0005374500000000, 0.0004833800000000 ] - [ -0.0003597800000000, -0.0003180900000000, -0.0000401300000000 ] - [ -0.0003243100000000, 0.0002475300000000, -0.0003361700000000 ] - [ 0.0010147800000000, 0.0004007600000000, -0.0000340500000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002717500000000, 0.0001296600000000, -0.0000669200000000 ] - [ -0.0002633800000000, 0.0017418500000000, 0.0002114600000000 ] - [ -0.0009646500000000, -0.0005065700000000, 0.0010570100000000 ] - [ 0.0005232200000000, -0.0002351600000000, 0.0003126000000000 ] - [ 0.0013233300000000, 0.0028724200000000, -0.0009302900000000 ] - [ -0.0003879000000000, 0.0000198700000000, -0.0000888400000000 ] - [ 0.0001386600000000, -0.0023024500000000, -0.0006762700000000 ] - [ -0.0000657400000000, 0.0000066700000000, -0.0000661200000000 ] - [ -0.0002927900000000, -0.0000827000000000, 0.0003191100000000 ] - [ -0.0013766900000000, 0.0089458300000000, -0.0016521800000000 ] - [ -0.0007636500000000, -0.0005189100000000, -0.0008829000000000 ] - [ 0.0004235700000000, -0.0000420000000000, -0.0002259800000000 ] - [ 0.0027163600000000, 0.0014802600000000, 0.0006875900000000 ] - [ -0.0004943100000000, 0.0002823900000000, 0.0000944700000000 ] - [ -0.0005771700000000, -0.0072354400000000, -0.0013083600000000 ] - [ -0.0003844100000000, -0.0003462900000000, -0.0000667000000000 ] - [ -0.0005620800000000, -0.0002858400000000, 0.0002740700000000 ] - [ 0.0003736200000000, -0.0004886700000000, 0.0000823300000000 ] - [ 0.0102151300000000, 0.0490645200000000, -0.0165040400000000 ] - [ 0.0000412300000000, -0.0001374500000000, -0.0002992100000000 ] - [ 0.0000149900000000, -0.0005961700000000, -0.0005076600000000 ] - [ -0.0005870700000000, 0.0001542100000000, -0.0003107200000000 ] - [ -0.0014199700000000, 0.0016262200000000, 0.0010713400000000 ] - [ 0.0004704500000000, 0.0021788600000000, 0.0007804600000000 ] - [ 0.0008359300000000, 0.0004300500000000, 0.0000222200000000 ] - [ 0.0005051000000000, 0.0003434500000000, 0.0001127000000000 ] - [ 0.0004040100000000, 0.0016083300000000, 0.0005408000000000 ] - [ -0.0002616000000000, 0.0003056400000000, -0.0000560500000000 ] - [ -0.0018100200000000, -0.0002650900000000, 0.0003934300000000 ] - [ 0.0114413700000000, -0.0054635600000000, -0.0000225300000000 ] - [ 0.0631083900000000, 0.1444440800000000, 0.0941120800000000 ] - [ -0.0006097400000000, -0.0002486500000000, 0.0001394500000000 ] - [ 0.0068624500000000, -0.0194012400000000, 0.0001135400000000 ] - [ -0.0018659500000000, -0.0005610200000000, -0.0000137100000000 ] - [ 0.0016351500000000, 0.0008747500000000, -0.0023661500000000 ] - [ 0.0005787700000000, 0.0001722000000000, -0.0002671100000000 ] - [ -0.0003725500000000, 0.0003255300000000, 0.0000562100000000 ] - [ -0.0064120800000000, -0.0047882300000000, 0.0061358600000000 ] - [ 0.0002192500000000, -0.0004348900000000, -0.0000595500000000 ] - [ -0.0007128900000000, -0.0009566400000000, -0.0001853700000000 ] - [ -0.0003188800000000, 0.0005668000000000, 0.0002494200000000 ] - [ 0.0002823200000000, 0.0005507700000000, 0.0001821000000000 ] - [ -0.0004505000000000, 0.0001636700000000, -0.0006034700000000 ] - [ 0.0004451300000000, -0.0000426100000000, 0.0004625400000000 ] - [ 0.0005196800000000, -0.0009366100000000, -0.0001720300000000 ] - [ 0.0008253000000000, -0.0002385700000000, 0.0001947200000000 ] - [ 0.0000613600000000, 0.0002501900000000, -0.0003383000000000 ] - [ 0.0004789600000000, 0.0002895600000000, -0.0004140100000000 ] - [ -0.0006394000000000, -0.0021842300000000, 0.0004012100000000 ] - [ 0.0000469300000000, -0.0007480300000000, 0.0000764600000000 ] - [ -0.0964606100000000, -0.2820328700000000, -0.0894638000000000 ] - [ -0.0001135400000000, -0.0003113300000000, -0.0000331600000000 ] - [ -0.0082837700000000, 0.0141982100000000, 0.0155615700000000 ] - [ -0.0000262600000000, 0.0000766600000000, 0.0001582500000000 ] - [ 0.0005124200000000, 0.0005252600000000, 0.0005204700000000 ] - [ 0.0004761500000000, 0.0003330600000000, 0.0000279600000000 ] - [ -0.0007338200000000, 0.0030947200000000, -0.0002861000000000 ] - [ 0.0016802500000000, 0.0017932400000000, -0.0006137000000000 ] - [ 0.0131202500000000, 0.0312093400000000, 0.0059824200000000 ] - [ 0.0004128100000000, 0.0010767900000000, 0.0000356700000000 ] - [ 0.0004173200000000, -0.0001747600000000, -0.0000456900000000 ] - [ 0.0005285400000000, 0.0005469500000000, 0.0001661400000000 ] - [ -0.0002620700000000, -0.0001863600000000, 0.0003295900000000 ] - [ 0.0008181700000000, -0.0008202600000000, -0.0000738700000000 ] - [ 0.0002344500000000, -0.0006224100000000, -0.0001352600000000 ] - [ -0.0015461300000000, 0.0047434100000000, -0.0011902700000000 ] - [ -0.0112692800000000, 0.0352067900000000, -0.0022849900000000 ] - [ -0.0000957000000000, 0.0007033100000000, 0.0000182200000000 ] - [ -0.0006280200000000, -0.0008963200000000, 0.0007996900000000 ] - [ -0.0006582500000000, -0.0008475000000000, 0.0005448500000000 ] - [ -0.0003051300000000, 0.0035245500000000, -0.0002555100000000 ] - [ 0.0009624400000000, -0.0003058500000000, -0.0006369600000000 ] - [ 0.0007310200000000, 0.0007046400000000, -0.0000877500000000 ] - [ 0.0007172600000000, 0.0002262100000000, 0.0004279100000000 ] - [ 0.0000337300000000, 0.0011784600000000, 0.0039613000000000 ] - [ -0.0005820700000000, 0.0005260600000000, -0.0004860000000000 ] - [ -0.0001741400000000, -0.0002490800000000, 0.0001129300000000 ] - [ 0.0014704200000000, -0.0002445300000000, -0.0014042200000000 ] - [ 0.0003978900000000, -0.0005483200000000, 0.0000389900000000 ] - [ -0.0034435800000000, -0.0019626500000000, 0.0005866200000000 ] - [ 0.0032868600000000, -0.0052359500000000, 0.0038794500000000 ] - [ -0.0002209200000000, -0.0003517800000000, 0.0004767500000000 ] - [ 0.0006629700000000, 0.0001367100000000, -0.0001108100000000 ] - [ 0.0012004000000000, 0.0003972400000000, 0.0002240800000000 ] - [ 0.0011195200000000, 0.0006682600000000, 0.0002944400000000 ] - [ -0.0060914200000000, 0.0063496300000000, -0.0011248300000000 ] - [ 0.0001857500000000, -0.0000080000000000, -0.0005716900000000 ] - [ 0.0178816100000000, 0.0138184600000000, -0.0017752500000000 ] - [ 0.0007542900000000, 0.0052042500000000, -0.0137936400000000 ] - [ -0.0003075600000000, 0.0003052300000000, 0.0000201600000000 ] - [ -0.0002277200000000, -0.0014110500000000, -0.0004214900000000 ] - [ -0.0001219900000000, -0.0012558900000000, -0.0001912600000000 ] - [ 0.0000949300000000, 0.0005669600000000, 0.0001479300000000 ] - [ 0.0006141500000000, -0.0002872700000000, -0.0000057900000000 ] - [ 0.0006006400000000, 0.0003760500000000, 0.0001041600000000 ] - [ 0.0000122600000000, 0.0004809400000000, 0.0005737400000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000987500000000, -0.0000381400000000, 0.0001325400000000 ] - [ 0.0000895800000000, -0.0016499000000000, -0.0001439000000000 ] - [ 0.0011465100000000, 0.0004047000000000, -0.0009976200000000 ] - [ -0.0003533900000000, 0.0001384200000000, -0.0002475100000000 ] - [ -0.0015582600000000, -0.0029111800000000, 0.0009225900000000 ] - [ 0.0002140600000000, -0.0001120400000000, 0.0000186000000000 ] - [ 0.0000358900000000, 0.0023990200000000, 0.0006123900000000 ] - [ 0.0002405100000000, 0.0000874900000000, -0.0000021900000000 ] - [ 0.0004034400000000, -0.0003994000000000, -0.0000593800000000 ] - [ 0.0014254100000000, -0.0093894000000000, 0.0018692800000000 ] - [ 0.0006459400000000, 0.0009760200000000, 0.0011351300000000 ] - [ -0.0005406300000000, 0.0005228600000000, 0.0004867300000000 ] - [ -0.0025994200000000, -0.0009673100000000, -0.0009502600000000 ] - [ 0.0006081600000000, 0.0002014400000000, -0.0003508100000000 ] - [ 0.0004390900000000, 0.0067479400000000, 0.0010134200000000 ] - [ 0.0002694700000000, -0.0001372200000000, -0.0001925200000000 ] - [ -0.0001903800000000, -0.0001577700000000, 0.0003267700000000 ] - [ -0.0011252000000000, 0.0000406200000000, 0.0005229000000000 ] - [ -0.0081516800000000, -0.0455539300000000, 0.0139861000000000 ] - [ 0.0007104600000000, -0.0003027400000000, -0.0003010400000000 ] - [ -0.0007665300000000, 0.0010363500000000, -0.0000991600000000 ] - [ -0.0001647400000000, 0.0002868000000000, -0.0002902400000000 ] - [ 0.0021313300000000, -0.0011727800000000, -0.0004569600000000 ] - [ 0.0002824900000000, -0.0017354900000000, -0.0001836400000000 ] - [ 0.0009143100000000, -0.0006730500000000, 0.0005983200000000 ] - [ 0.0012622100000000, -0.0005844400000000, 0.0005166700000000 ] - [ -0.0001334400000000, -0.0011335200000000, -0.0005923300000000 ] - [ 0.0005283700000000, 0.0001758500000000, -0.0000056500000000 ] - [ 0.0000483100000000, 0.0004991100000000, 0.0002355700000000 ] - [ -0.0132318000000000, 0.0056834400000000, 0.0006355700000000 ] - [ -0.0671313900000000, -0.1495973000000000, -0.0997711600000000 ] - [ 0.0003420600000000, -0.0002355000000000, -0.0002009000000000 ] - [ -0.0085844200000000, 0.0191928100000000, -0.0006876000000000 ] - [ 0.0000992600000000, 0.0003131300000000, -0.0006067000000000 ] - [ 0.0001260500000000, -0.0006236600000000, 0.0017493000000000 ] - [ 0.0011797100000000, 0.0000746000000000, -0.0003561100000000 ] - [ 0.0001257500000000, 0.0001751900000000, 0.0000248500000000 ] - [ 0.0061421500000000, 0.0052783600000000, -0.0060660700000000 ] - [ 0.0000466800000000, -0.0000436000000000, 0.0001215800000000 ] - [ 0.0009764500000000, 0.0004789600000000, 0.0002502500000000 ] - [ 0.0001084100000000, 0.0009194800000000, -0.0003767900000000 ] - [ -0.0004958100000000, 0.0009357200000000, -0.0003124900000000 ] - [ 0.0008860700000000, -0.0001915200000000, 0.0016149600000000 ] - [ -0.0000102200000000, 0.0000032600000000, 0.0005535400000000 ] - [ 0.0005831400000000, 0.0007222400000000, 0.0005009900000000 ] - [ 0.0002695400000000, 0.0000205100000000, 0.0001471900000000 ] - [ 0.0003721600000000, -0.0002099800000000, -0.0006754200000000 ] - [ -0.0000426400000000, -0.0002500100000000, -0.0006014300000000 ] - [ 0.0004234100000000, 0.0006902400000000, -0.0002717300000000 ] - [ -0.0002589600000000, -0.0007433500000000, 0.0000534900000000 ] - [ 0.0983140600000000, 0.2818935400000000, 0.0972115500000000 ] - [ -0.0005973500000000, -0.0002728600000000, 0.0000099000000000 ] - [ 0.0072481300000000, -0.0140638100000000, -0.0154798200000000 ] - [ -0.0010682400000000, 0.0001413800000000, 0.0001812200000000 ] - [ 0.0001969100000000, 0.0000656100000000, -0.0005454800000000 ] - [ 0.0002354000000000, 0.0002523400000000, -0.0000525300000000 ] - [ -0.0004136000000000, -0.0033428600000000, -0.0000601200000000 ] - [ -0.0027598000000000, -0.0020043100000000, 0.0002721100000000 ] - [ -0.0131865300000000, -0.0300167400000000, -0.0059119800000000 ] - [ -0.0001990500000000, 0.0004163900000000, 0.0000946100000000 ] - [ 0.0002938000000000, -0.0004103400000000, 0.0000733300000000 ] - [ 0.0001857200000000, -0.0011297300000000, -0.0001368500000000 ] - [ 0.0014445400000000, -0.0014092200000000, -0.0003315100000000 ] - [ 0.0003663300000000, -0.0007735000000000, 0.0000707400000000 ] - [ -0.0000264300000000, -0.0008651700000000, 0.0000025600000000 ] - [ 0.0017610400000000, -0.0062314400000000, 0.0010558000000000 ] - [ 0.0099996500000000, -0.0331742700000000, 0.0022566900000000 ] - [ -0.0010864000000000, 0.0008897000000000, -0.0000203800000000 ] - [ -0.0008361900000000, -0.0002134900000000, 0.0000547600000000 ] - [ -0.0008115700000000, -0.0002604200000000, 0.0003011500000000 ] - [ 0.0017612100000000, -0.0046383100000000, -0.0006340700000000 ] - [ 0.0005090200000000, -0.0008006100000000, -0.0002094700000000 ] - [ 0.0004560800000000, 0.0008910500000000, 0.0000933900000000 ] - [ 0.0004572400000000, 0.0013754900000000, -0.0004377500000000 ] - [ -0.0014941800000000, -0.0000868500000000, -0.0047941800000000 ] - [ -0.0008870100000000, 0.0005807200000000, -0.0003628700000000 ] - [ -0.0005330700000000, 0.0008182100000000, -0.0000919800000000 ] - [ -0.0021763500000000, 0.0008231300000000, 0.0014218800000000 ] - [ -0.0015627600000000, -0.0010340400000000, -0.0000402300000000 ] - [ 0.0022637300000000, 0.0003799300000000, -0.0005793600000000 ] - [ -0.0036284100000000, 0.0053662900000000, -0.0027736600000000 ] - [ -0.0002141300000000, 0.0003926400000000, 0.0005390900000000 ] - [ 0.0004360700000000, 0.0000800200000000, -0.0002289400000000 ] - [ -0.0001009600000000, -0.0001807500000000, -0.0005637100000000 ] - [ 0.0003495100000000, 0.0004431600000000, 0.0005509400000000 ] - [ 0.0076246000000000, -0.0052530500000000, 0.0019833700000000 ] - [ -0.0006248600000000, -0.0000369400000000, -0.0004438300000000 ] - [ -0.0181429500000000, -0.0137730800000000, 0.0007535100000000 ] - [ -0.0016973600000000, -0.0045792500000000, 0.0137378800000000 ] - [ -0.0006502400000000, 0.0003691300000000, -0.0000427300000000 ] - [ -0.0007123600000000, 0.0007370000000000, 0.0004410200000000 ] - [ -0.0008417600000000, 0.0005788600000000, 0.0002179700000000 ] - [ 0.0008616300000000, -0.0012417800000000, -0.0001566800000000 ] - [ 0.0003446600000000, -0.0003872800000000, -0.0000144500000000 ] - [ 0.0003585700000000, 0.0002993400000000, -0.0000823300000000 ] - [ 0.0009474300000000, 0.0001948900000000, -0.0005577000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005379500000000, 0.0001406500000000, -0.0003435600000000 ] - [ 0.0016689400000000, 0.0000695300000000, -0.0019268500000000 ] - [ 0.0007382400000000, 0.0003351500000000, 0.0004234000000000 ] - [ -0.0004253100000000, 0.0002846100000000, 0.0003578100000000 ] - [ 0.0014261500000000, -0.0010133000000000, 0.0020118700000000 ] - [ -0.0005109900000000, -0.0001701200000000, 0.0001473100000000 ] - [ 0.0003168200000000, -0.0001186300000000, -0.0021321300000000 ] - [ -0.0001398800000000, 0.0000079500000000, -0.0002168700000000 ] - [ 0.0001384100000000, -0.0001969200000000, 0.0006361500000000 ] - [ 0.0034506200000000, 0.0008255400000000, 0.0080765900000000 ] - [ -0.0013742700000000, -0.0017739200000000, -0.0028888300000000 ] - [ 0.0003536000000000, 0.0002274000000000, -0.0009259100000000 ] - [ -0.0021546000000000, 0.0028843300000000, -0.0044684300000000 ] - [ -0.0000762700000000, 0.0001960000000000, -0.0006642200000000 ] - [ -0.0000957500000000, -0.0007534100000000, 0.0013761700000000 ] - [ -0.0003661400000000, -0.0002752200000000, 0.0002179100000000 ] - [ -0.0003650400000000, -0.0000334700000000, -0.0001311700000000 ] - [ -0.0011085300000000, 0.0006107500000000, -0.0013609600000000 ] - [ -0.0022156600000000, -0.0148283500000000, 0.0303254300000000 ] - [ 0.0000034200000000, -0.0002293100000000, -0.0001720400000000 ] - [ 0.0002161300000000, 0.0002263600000000, -0.0015203900000000 ] - [ -0.0007755400000000, 0.0002119200000000, -0.0004415700000000 ] - [ -0.0053050900000000, 0.0021068700000000, 0.0048101300000000 ] - [ 0.0010375200000000, 0.0007199500000000, 0.0018774900000000 ] - [ 0.0039533000000000, -0.0006478600000000, -0.0026241100000000 ] - [ -0.0013538400000000, -0.0008427300000000, -0.0014024500000000 ] - [ 0.0014784800000000, 0.0011346400000000, -0.0060707400000000 ] - [ -0.0007321300000000, 0.0004306100000000, -0.0004470300000000 ] - [ -0.0023096500000000, -0.0006729200000000, 0.0013572600000000 ] - [ 0.0098343500000000, -0.0025810500000000, 0.0098100900000000 ] - [ 0.0555768200000000, 0.0922921400000000, 0.1208768400000000 ] - [ -0.0008313000000000, -0.0001087800000000, 0.0004956100000000 ] - [ -0.0011016700000000, -0.0003296300000000, 0.0028148000000000 ] - [ -0.0011234800000000, -0.0001403100000000, 0.0000228000000000 ] - [ 0.0020999700000000, 0.0000274500000000, -0.0076968400000000 ] - [ 0.0004728200000000, 0.0000684300000000, -0.0004429900000000 ] - [ -0.0007346500000000, 0.0009636300000000, 0.0017050200000000 ] - [ 0.0007575900000000, -0.0006014200000000, 0.0032006500000000 ] - [ 0.0001530800000000, -0.0008341000000000, -0.0010054800000000 ] - [ -0.0007016700000000, -0.0006985200000000, -0.0016156900000000 ] - [ -0.0009302700000000, 0.0012032200000000, 0.0008245700000000 ] - [ 0.0006490200000000, 0.0011665100000000, 0.0007666800000000 ] - [ 0.0002607600000000, -0.0017171800000000, 0.0038954000000000 ] - [ 0.0004606300000000, -0.0001362200000000, 0.0004840400000000 ] - [ -0.0018504300000000, -0.0005245100000000, 0.0037443400000000 ] - [ 0.0016117100000000, -0.0002398600000000, 0.0003970600000000 ] - [ 0.0001927900000000, 0.0001895500000000, 0.0005849600000000 ] - [ 0.0006711800000000, 0.0002655800000000, 0.0001415000000000 ] - [ -0.0003808800000000, -0.0007444900000000, 0.0031039900000000 ] - [ 0.0001985700000000, -0.0006548000000000, 0.0002599900000000 ] - [ -0.0706445600000000, -0.0916740900000000, -0.1834650900000000 ] - [ -0.0000803900000000, -0.0003078300000000, -0.0002342200000000 ] - [ -0.0084558800000000, 0.0193941200000000, 0.0065124400000000 ] - [ 0.0003952000000000, 0.0000710200000000, 0.0000189500000000 ] - [ -0.0004804100000000, -0.0002476800000000, 0.0024385000000000 ] - [ 0.0005898100000000, 0.0002471200000000, 0.0002301600000000 ] - [ -0.0009110700000000, -0.0003168900000000, -0.0011548400000000 ] - [ -0.0003715500000000, 0.0000114700000000, -0.0009294300000000 ] - [ -0.0022051200000000, -0.0028245900000000, -0.0060520200000000 ] - [ 0.0003911700000000, 0.0007874700000000, -0.0002030900000000 ] - [ 0.0003154200000000, -0.0002274000000000, 0.0001795300000000 ] - [ 0.0010435100000000, -0.0004388100000000, 0.0004854400000000 ] - [ -0.0005380400000000, -0.0004775500000000, 0.0030998400000000 ] - [ 0.0008696600000000, -0.0008627000000000, 0.0001110600000000 ] - [ 0.0005109800000000, -0.0006825600000000, -0.0003527800000000 ] - [ -0.0025215200000000, 0.0012842000000000, -0.0021275000000000 ] - [ -0.0015962600000000, 0.0025572400000000, -0.0061073200000000 ] - [ -0.0003211200000000, 0.0007408200000000, -0.0001231500000000 ] - [ -0.0006633800000000, -0.0004663900000000, 0.0033222100000000 ] - [ -0.0004098200000000, -0.0004763400000000, 0.0015477500000000 ] - [ 0.0015328900000000, -0.0004196800000000, -0.0018331200000000 ] - [ 0.0007307400000000, -0.0005097100000000, -0.0003963900000000 ] - [ -0.0001548700000000, 0.0006504300000000, 0.0004044600000000 ] - [ 0.0027368700000000, -0.0002643100000000, 0.0026741000000000 ] - [ 0.0002652700000000, 0.0049971600000000, 0.0072562000000000 ] - [ -0.0005611600000000, 0.0006004900000000, -0.0004957400000000 ] - [ 0.0013249500000000, -0.0011232800000000, -0.0007102100000000 ] - [ -0.0009435400000000, 0.0003899200000000, -0.0007104900000000 ] - [ 0.0024272000000000, 0.0002792100000000, -0.0007466400000000 ] - [ -0.0032466000000000, -0.0010703800000000, -0.0008915800000000 ] - [ 0.0175877600000000, 0.0071824100000000, 0.0101436400000000 ] - [ -0.0003021600000000, -0.0001183900000000, 0.0003746400000000 ] - [ 0.0006759100000000, 0.0001614400000000, 0.0001676300000000 ] - [ 0.0008927400000000, 0.0002469100000000, 0.0022105100000000 ] - [ 0.0010258100000000, 0.0006427900000000, -0.0002733300000000 ] - [ 0.0017559300000000, -0.0022637100000000, -0.0050523400000000 ] - [ 0.0001985600000000, 0.0000293600000000, -0.0010846300000000 ] - [ 0.0015209400000000, 0.0024794000000000, -0.0065548000000000 ] - [ -0.0036457500000000, -0.0130030400000000, 0.0134644500000000 ] - [ -0.0002323800000000, 0.0003224100000000, 0.0000163400000000 ] - [ -0.0012141400000000, -0.0006639000000000, -0.0024522200000000 ] - [ 0.0007088600000000, -0.0003834200000000, -0.0017065100000000 ] - [ -0.0001076700000000, -0.0002006800000000, 0.0005976500000000 ] - [ 0.0007689800000000, -0.0003388000000000, -0.0000359000000000 ] - [ 0.0007744100000000, 0.0003431500000000, 0.0004881900000000 ] - [ 0.0003439000000000, 0.0002218600000000, 0.0017020400000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003676700000000, -0.0000507100000000, 0.0004095000000000 ] - [ -0.0018494000000000, 0.0000240400000000, 0.0019949100000000 ] - [ -0.0005675900000000, -0.0004281100000000, -0.0003437100000000 ] - [ 0.0005973700000000, -0.0003758900000000, -0.0002825100000000 ] - [ -0.0017277400000000, 0.0010120500000000, -0.0019661400000000 ] - [ 0.0003357800000000, 0.0000754600000000, -0.0002149300000000 ] - [ -0.0001415600000000, 0.0002101100000000, 0.0020613400000000 ] - [ 0.0003135200000000, 0.0000852800000000, 0.0001480800000000 ] - [ -0.0000279100000000, -0.0002864400000000, -0.0003723300000000 ] - [ -0.0028801700000000, -0.0013276700000000, -0.0075579800000000 ] - [ 0.0012593100000000, 0.0022632400000000, 0.0031435100000000 ] - [ -0.0004702900000000, 0.0002559100000000, 0.0011801900000000 ] - [ 0.0022779000000000, -0.0024106800000000, 0.0042037200000000 ] - [ 0.0001902700000000, 0.0002865500000000, 0.0004038700000000 ] - [ -0.0000108600000000, 0.0002749600000000, -0.0016007300000000 ] - [ 0.0002484800000000, -0.0002077300000000, -0.0004735200000000 ] - [ -0.0003862300000000, -0.0004063100000000, 0.0007323900000000 ] - [ 0.0003526400000000, -0.0010455000000000, 0.0019591400000000 ] - [ 0.0031594900000000, 0.0149445400000000, -0.0307538400000000 ] - [ 0.0007449400000000, -0.0002127800000000, -0.0004282000000000 ] - [ -0.0009620000000000, 0.0002144800000000, 0.0009248000000000 ] - [ 0.0000219200000000, 0.0002290700000000, -0.0001570600000000 ] - [ 0.0060558700000000, -0.0016760900000000, -0.0042332000000000 ] - [ -0.0002816200000000, -0.0002798400000000, -0.0012730600000000 ] - [ -0.0021783100000000, 0.0003968000000000, 0.0032484200000000 ] - [ 0.0031009500000000, 0.0005934600000000, 0.0020200200000000 ] - [ -0.0012028100000000, -0.0006457600000000, 0.0059903300000000 ] - [ 0.0009932100000000, 0.0000524000000000, 0.0003844600000000 ] - [ 0.0005453200000000, 0.0009229900000000, -0.0007342500000000 ] - [ -0.0116060200000000, 0.0028079500000000, -0.0092285900000000 ] - [ -0.0582668200000000, -0.0970807400000000, -0.1227990500000000 ] - [ 0.0005630500000000, -0.0003726800000000, -0.0005581500000000 ] - [ -0.0007016600000000, 0.0000693500000000, -0.0034922200000000 ] - [ -0.0006324600000000, -0.0001042700000000, -0.0006488400000000 ] - [ -0.0003379600000000, 0.0002173600000000, 0.0070621600000000 ] - [ 0.0012851100000000, 0.0001777300000000, -0.0001790500000000 ] - [ 0.0004537600000000, -0.0004857700000000, -0.0016517200000000 ] - [ -0.0009957100000000, 0.0010934900000000, -0.0031707900000000 ] - [ 0.0001138500000000, 0.0003504100000000, 0.0010713900000000 ] - [ 0.0009614600000000, 0.0002100100000000, 0.0016783600000000 ] - [ 0.0007149100000000, 0.0002903900000000, -0.0009549300000000 ] - [ -0.0008565300000000, 0.0003273500000000, -0.0008924900000000 ] - [ 0.0001886900000000, 0.0016565800000000, -0.0028680100000000 ] - [ -0.0000146600000000, 0.0000922200000000, 0.0005296500000000 ] - [ 0.0029302700000000, 0.0003062800000000, -0.0033884300000000 ] - [ -0.0005083600000000, 0.0000224300000000, -0.0000556000000000 ] - [ 0.0002499900000000, -0.0001453000000000, -0.0015960400000000 ] - [ -0.0002228200000000, -0.0002198500000000, -0.0011519100000000 ] - [ 0.0001672900000000, -0.0007458100000000, -0.0029692200000000 ] - [ -0.0004090200000000, -0.0008352800000000, -0.0001281000000000 ] - [ 0.0719932300000000, 0.0950040300000000, 0.1850300300000000 ] - [ -0.0006226200000000, -0.0002653100000000, 0.0002123200000000 ] - [ 0.0074359800000000, -0.0194377900000000, -0.0062394500000000 ] - [ -0.0014912600000000, 0.0001443800000000, 0.0003237600000000 ] - [ 0.0011804700000000, 0.0008186000000000, -0.0024564400000000 ] - [ 0.0001171600000000, 0.0003275800000000, -0.0002519200000000 ] - [ -0.0001651800000000, 0.0001076300000000, 0.0008196300000000 ] - [ -0.0007353100000000, -0.0002300600000000, 0.0005913000000000 ] - [ 0.0024383900000000, 0.0043650100000000, 0.0062234000000000 ] - [ -0.0001800300000000, 0.0007009900000000, 0.0003341400000000 ] - [ 0.0003909400000000, -0.0003472400000000, -0.0001548400000000 ] - [ -0.0003363500000000, -0.0001364000000000, -0.0004657500000000 ] - [ 0.0017061800000000, -0.0011055300000000, -0.0030977000000000 ] - [ 0.0003085700000000, -0.0007250100000000, -0.0001136100000000 ] - [ -0.0002953700000000, -0.0008103700000000, 0.0002269900000000 ] - [ 0.0027434200000000, -0.0027849100000000, 0.0020078500000000 ] - [ 0.0004402100000000, -0.0010829500000000, 0.0061040300000000 ] - [ -0.0008550400000000, 0.0008465200000000, 0.0001208300000000 ] - [ -0.0008085500000000, -0.0006403900000000, -0.0024675900000000 ] - [ -0.0010553000000000, -0.0006302500000000, -0.0006931000000000 ] - [ -0.0000614600000000, -0.0006873600000000, 0.0010069500000000 ] - [ 0.0007372700000000, -0.0005987700000000, -0.0004494200000000 ] - [ 0.0013270000000000, 0.0009355600000000, -0.0004028900000000 ] - [ -0.0015507300000000, 0.0018456000000000, -0.0026570800000000 ] - [ -0.0017187700000000, -0.0038413400000000, -0.0080615700000000 ] - [ -0.0009056400000000, 0.0005071800000000, -0.0003563100000000 ] - [ -0.0020301600000000, 0.0017038700000000, 0.0007425300000000 ] - [ 0.0002335600000000, 0.0001861300000000, 0.0007418100000000 ] - [ -0.0036094300000000, -0.0018680900000000, 0.0007544700000000 ] - [ 0.0020686800000000, -0.0005147900000000, 0.0009022800000000 ] - [ -0.0182993400000000, -0.0072224100000000, -0.0092217600000000 ] - [ -0.0001432300000000, 0.0001633000000000, 0.0006393800000000 ] - [ 0.0004221900000000, 0.0000563100000000, -0.0005075500000000 ] - [ 0.0002114700000000, -0.0000274700000000, -0.0025451700000000 ] - [ 0.0004454100000000, 0.0004640300000000, 0.0011250600000000 ] - [ -0.0003054200000000, 0.0033912400000000, 0.0058926700000000 ] - [ -0.0006385600000000, -0.0000716500000000, 0.0000724000000000 ] - [ -0.0020282300000000, -0.0025789800000000, 0.0055278000000000 ] - [ 0.0027429700000000, 0.0138969400000000, -0.0136740600000000 ] - [ -0.0007260300000000, 0.0003536600000000, -0.0000292000000000 ] - [ 0.0002690200000000, -0.0000109800000000, 0.0024677900000000 ] - [ -0.0016637800000000, -0.0002924200000000, 0.0017091600000000 ] - [ 0.0010650900000000, -0.0004749200000000, -0.0006182900000000 ] - [ 0.0001922200000000, -0.0003367400000000, 0.0000222300000000 ] - [ 0.0001843900000000, 0.0003317900000000, -0.0004743000000000 ] - [ 0.0006175200000000, 0.0004521100000000, -0.0016824900000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012846100000000, -0.0001441900000000, 0.0004031800000000 ] - [ -0.0002442700000000, 0.0019215000000000, -0.0022174400000000 ] - [ 0.0000485300000000, 0.0005087200000000, -0.0008296100000000 ] - [ -0.0007488100000000, -0.0001904100000000, 0.0006390000000000 ] - [ 0.0021540400000000, -0.0006626900000000, -0.0007839500000000 ] - [ -0.0014111000000000, -0.0000371700000000, 0.0003557700000000 ] - [ 0.0066985200000000, 0.0017300800000000, 0.0018356800000000 ] - [ -0.0013747900000000, 0.0001001700000000, 0.0001410200000000 ] - [ -0.0017237600000000, -0.0003958500000000, -0.0005426200000000 ] - [ 0.0000325500000000, 0.0016859000000000, 0.0027326900000000 ] - [ 0.0001530300000000, 0.0031268700000000, 0.0029495900000000 ] - [ -0.0018984900000000, -0.0000170600000000, -0.0011598900000000 ] - [ 0.0115934300000000, 0.0013349800000000, -0.0032852900000000 ] - [ -0.0029083500000000, 0.0002551600000000, -0.0010431900000000 ] - [ 0.0042663100000000, -0.0025097800000000, 0.0029194900000000 ] - [ -0.0027290600000000, -0.0002941900000000, -0.0007017100000000 ] - [ -0.0028108500000000, 0.0011972800000000, -0.0004388200000000 ] - [ 0.0005796200000000, -0.0021514000000000, 0.0010855200000000 ] - [ 0.0024607900000000, -0.0006152200000000, -0.0005082900000000 ] - [ -0.0012461000000000, -0.0002314000000000, -0.0003583400000000 ] - [ 0.0443636100000000, -0.0266246700000000, 0.0152341100000000 ] - [ -0.0036876400000000, 0.0001037800000000, 0.0001537700000000 ] - [ 0.0006728400000000, -0.0006668100000000, 0.0010400500000000 ] - [ -0.0006338200000000, 0.0006629300000000, 0.0003562100000000 ] - [ 0.0018945100000000, -0.0043510800000000, -0.0027199700000000 ] - [ -0.0036344000000000, 0.0032420500000000, 0.0009405900000000 ] - [ 0.0121872100000000, 0.0067409100000000, 0.0010089400000000 ] - [ -0.0043633900000000, 0.0000934100000000, 0.0000374200000000 ] - [ -0.0032614400000000, 0.0005889600000000, 0.0006652900000000 ] - [ 0.0010390700000000, -0.0007863100000000, 0.0004423900000000 ] - [ 0.0052772400000000, 0.0006082700000000, 0.0010540600000000 ] - [ -0.0031721500000000, -0.0002203800000000, -0.0001597400000000 ] - [ 0.0022907100000000, -0.0005768600000000, 0.0025009600000000 ] - [ -0.0033501200000000, -0.0002247400000000, -0.0008195800000000 ] - [ 0.1481130300000000, -0.1002915100000000, -0.0684492300000000 ] - [ -0.0043893100000000, -0.0003934700000000, -0.0004948700000000 ] - [ -0.0016884300000000, 0.0011678900000000, 0.0016328400000000 ] - [ -0.0008526000000000, -0.0000516100000000, -0.0008199900000000 ] - [ -0.0104224500000000, -0.0054466700000000, -0.0073177300000000 ] - [ -0.0130635100000000, -0.0085496600000000, 0.0088601300000000 ] - [ 0.0013032200000000, 0.0032584900000000, 0.0018628500000000 ] - [ 0.0041583800000000, -0.0012425500000000, -0.0029598400000000 ] - [ -0.0032534900000000, -0.0007275200000000, -0.0000189200000000 ] - [ 0.0027362600000000, -0.0005822900000000, 0.0003348100000000 ] - [ -0.0040143300000000, 0.0004312800000000, 0.0007105600000000 ] - [ 0.0036288700000000, -0.0010371800000000, 0.0000471100000000 ] - [ 0.0315705700000000, -0.0100774200000000, 0.0009146800000000 ] - [ 0.0052975600000000, 0.0022669700000000, -0.0002541800000000 ] - [ -0.0080212000000000, -0.0172628300000000, -0.0029412000000000 ] - [ 0.0019877000000000, 0.0000953200000000, 0.0001289800000000 ] - [ -0.0026602900000000, -0.0011355700000000, -0.0011333600000000 ] - [ 0.0010820300000000, -0.0000574300000000, 0.0002692700000000 ] - [ -0.0032550200000000, 0.0005044700000000, 0.0004045700000000 ] - [ 0.0015089900000000, -0.0003214000000000, 0.0000937600000000 ] - [ -0.0065656600000000, -0.0104010900000000, 0.0010013900000000 ] - [ 0.0025898700000000, 0.0007798800000000, -0.0002776300000000 ] - [ -0.0010522600000000, -0.0002857100000000, -0.0005705800000000 ] - [ 0.0007788200000000, 0.0002708100000000, -0.0002491600000000 ] - [ -0.0017076800000000, -0.0000118600000000, -0.0005396700000000 ] - [ 0.0012921900000000, 0.0010930400000000, 0.0000877300000000 ] - [ 0.0040007000000000, -0.0012624000000000, 0.0030202900000000 ] - [ 0.0013208300000000, 0.0025821500000000, -0.0026582300000000 ] - [ -0.2586882500000000, 0.1791809500000000, 0.0636370000000000 ] - [ 0.0036367300000000, -0.0015700600000000, -0.0003731900000000 ] - [ 0.0010780000000000, -0.0012293500000000, -0.0006728500000000 ] - [ 0.0000224500000000, -0.0002021500000000, 0.0007722900000000 ] - [ -0.0034156400000000, 0.0019689300000000, -0.0011091100000000 ] - [ 0.0011095600000000, 0.0004125900000000, 0.0003925500000000 ] - [ 0.0000453300000000, 0.0021619000000000, 0.0012013200000000 ] - [ 0.0017348800000000, -0.0019046400000000, 0.0010365600000000 ] - [ -0.0007875700000000, -0.0020724800000000, -0.0046425700000000 ] - [ 0.0020011100000000, -0.0005382000000000, 0.0002094800000000 ] - [ 0.0012703300000000, 0.0011225000000000, 0.0009950200000000 ] - [ 0.0012556800000000, 0.0005223300000000, -0.0004518600000000 ] - [ -0.0019478200000000, -0.0062222200000000, -0.0115638200000000 ] - [ 0.0011586000000000, 0.0007271700000000, -0.0002409300000000 ] - [ 0.0016263500000000, 0.0001543200000000, -0.0021323900000000 ] - [ 0.0004787300000000, 0.0001463300000000, 0.0007569000000000 ] - [ 0.0003346100000000, -0.0006001300000000, -0.0007588800000000 ] - [ -0.0006384900000000, -0.0008428500000000, 0.0004026000000000 ] - [ -0.0027344400000000, 0.0015541200000000, -0.0015897800000000 ] - [ 0.0013861100000000, -0.0002764200000000, 0.0010282700000000 ] - [ 0.0056233800000000, 0.0021590200000000, 0.0001940600000000 ] - [ 0.0370938400000000, -0.0069273600000000, -0.0076827500000000 ] - [ 0.0016707400000000, 0.0004326100000000, 0.0004708000000000 ] - [ 0.0000446000000000, 0.0005195400000000, -0.0003083600000000 ] - [ 0.0012866600000000, 0.0000935000000000, -0.0008247900000000 ] - [ -0.0008564500000000, 0.0000872700000000, -0.0012732100000000 ] - [ -0.0029957300000000, -0.0000287000000000, 0.0020315000000000 ] - [ 0.0006140600000000, 0.0003380600000000, 0.0000706100000000 ] - [ -0.0006906400000000, -0.0001612600000000, -0.0001427800000000 ] - [ 0.0001219700000000, -0.0004774000000000, -0.0003886700000000 ] - [ -0.0014737000000000, -0.0055433500000000, 0.0095558700000000 ] - [ 0.0019741200000000, -0.0002420800000000, -0.0004645200000000 ] - [ 0.0022974400000000, -0.0005879900000000, 0.0000343800000000 ] - [ 0.0007117500000000, 0.0013326100000000, 0.0002196100000000 ]- atom: 63 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011080100000000, 0.0002349300000000, -0.0003371100000000 ] - [ 0.0000843600000000, -0.0018139100000000, 0.0022781900000000 ] - [ 0.0001137200000000, -0.0006009900000000, 0.0008971800000000 ] - [ 0.0009256000000000, 0.0000944800000000, -0.0005657000000000 ] - [ -0.0023354500000000, 0.0005676500000000, 0.0007087100000000 ] - [ 0.0012377900000000, -0.0000543800000000, -0.0004216300000000 ] - [ -0.0064987100000000, -0.0015474500000000, -0.0018033800000000 ] - [ 0.0015452800000000, -0.0000102600000000, -0.0002094600000000 ] - [ 0.0018318300000000, -0.0000856900000000, 0.0008034600000000 ] - [ 0.0001032200000000, -0.0021775900000000, -0.0024809400000000 ] - [ -0.0002943400000000, -0.0026552900000000, -0.0026910100000000 ] - [ 0.0017898200000000, 0.0004959000000000, 0.0014095300000000 ] - [ -0.0116735200000000, -0.0010430200000000, 0.0033801300000000 ] - [ 0.0030157900000000, 0.0002291600000000, 0.0007755300000000 ] - [ -0.0043556500000000, 0.0020345000000000, -0.0031855100000000 ] - [ 0.0026113200000000, -0.0001896000000000, 0.0004479000000000 ] - [ 0.0020556700000000, -0.0016458500000000, 0.0010430000000000 ] - [ -0.0013047300000000, 0.0016921800000000, -0.0004865000000000 ] - [ -0.0017068300000000, 0.0001751700000000, -0.0000834200000000 ] - [ 0.0019943700000000, -0.0002101400000000, -0.0002418400000000 ] - [ -0.0463093600000000, 0.0291152900000000, -0.0168214200000000 ] - [ 0.0029262600000000, 0.0003349000000000, -0.0007487900000000 ] - [ 0.0000745100000000, 0.0011089400000000, -0.0004440500000000 ] - [ 0.0013894700000000, -0.0002198000000000, 0.0002407200000000 ] - [ -0.0001667100000000, 0.0041296600000000, 0.0033574400000000 ] - [ 0.0053861700000000, -0.0034590500000000, -0.0003016200000000 ] - [ -0.0119414000000000, -0.0062815200000000, -0.0011436200000000 ] - [ 0.0046250600000000, 0.0003847000000000, -0.0000967500000000 ] - [ 0.0014962100000000, -0.0003422700000000, -0.0000380500000000 ] - [ -0.0027809600000000, 0.0010315900000000, 0.0001808100000000 ] - [ -0.0055523200000000, -0.0010871100000000, -0.0011211100000000 ] - [ 0.0029025500000000, -0.0002588400000000, 0.0000966900000000 ] - [ -0.0040581700000000, 0.0003282700000000, -0.0031263500000000 ] - [ 0.0015956300000000, -0.0000227400000000, 0.0001895600000000 ] - [ -0.1421520100000000, 0.0950899300000000, 0.0641503000000000 ] - [ 0.0061454100000000, 0.0006427600000000, -0.0001281100000000 ] - [ 0.0014088300000000, -0.0006909100000000, -0.0015749800000000 ] - [ 0.0006043200000000, 0.0005293200000000, 0.0008733800000000 ] - [ 0.0106877600000000, 0.0049902900000000, 0.0074120000000000 ] - [ 0.0132701700000000, 0.0079989300000000, -0.0087116800000000 ] - [ -0.0015136900000000, -0.0017775200000000, -0.0020042900000000 ] - [ -0.0043469500000000, 0.0027193700000000, 0.0027890500000000 ] - [ 0.0036816100000000, 0.0006962800000000, 0.0010491400000000 ] - [ -0.0022858100000000, 0.0005377700000000, 0.0006785400000000 ] - [ 0.0051383900000000, -0.0006623000000000, -0.0003670700000000 ] - [ -0.0025272500000000, 0.0008160000000000, 0.0002868100000000 ] - [ -0.0316409700000000, 0.0103680600000000, -0.0019085500000000 ] - [ -0.0048223700000000, -0.0021981000000000, -0.0007605500000000 ] - [ 0.0076694600000000, 0.0158663600000000, 0.0030826500000000 ] - [ -0.0021997200000000, -0.0015892900000000, 0.0000044900000000 ] - [ 0.0019565800000000, 0.0005659800000000, 0.0011087900000000 ] - [ -0.0017845200000000, -0.0005139900000000, -0.0002937400000000 ] - [ 0.0021495300000000, -0.0002871500000000, -0.0000729100000000 ] - [ -0.0026058100000000, 0.0005372800000000, 0.0002434200000000 ] - [ 0.0073479400000000, 0.0108696500000000, -0.0010380000000000 ] - [ -0.0018820400000000, -0.0002062900000000, 0.0002527900000000 ] - [ -0.0000376900000000, 0.0000713000000000, 0.0002362400000000 ] - [ -0.0018852200000000, -0.0004883600000000, -0.0000868300000000 ] - [ 0.0019218700000000, 0.0015015400000000, 0.0006778400000000 ] - [ -0.0010805200000000, 0.0003993600000000, 0.0000461000000000 ] - [ -0.0033003000000000, 0.0006943400000000, -0.0030142700000000 ] - [ -0.0006262200000000, -0.0031301300000000, 0.0026602100000000 ] - [ 0.2569580600000000, -0.1771712800000000, -0.0593895200000000 ] - [ -0.0024567700000000, -0.0000181900000000, 0.0003661800000000 ] - [ -0.0008615500000000, -0.0002644700000000, 0.0005426200000000 ] - [ 0.0001811000000000, -0.0012874600000000, -0.0009015000000000 ] - [ 0.0022424600000000, -0.0003840200000000, 0.0011074400000000 ] - [ -0.0022861800000000, 0.0011741400000000, -0.0003991100000000 ] - [ -0.0015064000000000, -0.0032895600000000, -0.0003537200000000 ] - [ -0.0031939300000000, 0.0007817500000000, -0.0001825000000000 ] - [ 0.0022693800000000, 0.0009653700000000, 0.0037940800000000 ] - [ -0.0005335200000000, -0.0005692200000000, -0.0010536100000000 ] - [ -0.0000827500000000, 0.0004657700000000, -0.0009905500000000 ] - [ -0.0000966800000000, 0.0010573000000000, 0.0004511900000000 ] - [ 0.0003579400000000, 0.0073002000000000, 0.0106937900000000 ] - [ -0.0026250200000000, 0.0003799000000000, -0.0006137200000000 ] - [ -0.0023260700000000, 0.0004189300000000, 0.0021579200000000 ] - [ -0.0011884200000000, 0.0004264000000000, -0.0007218700000000 ] - [ -0.0015050000000000, -0.0009864400000000, 0.0007642800000000 ] - [ -0.0005459300000000, -0.0007469500000000, -0.0003929500000000 ] - [ 0.0022960800000000, -0.0015206400000000, 0.0026082800000000 ] - [ -0.0018367800000000, 0.0003219400000000, -0.0000122000000000 ] - [ -0.0045296600000000, -0.0019520700000000, -0.0005314600000000 ] - [ -0.0352338400000000, 0.0069228400000000, 0.0072850100000000 ] - [ -0.0001997800000000, 0.0006762800000000, 0.0003761300000000 ] - [ 0.0014149900000000, 0.0005906000000000, 0.0011614300000000 ] - [ -0.0017299900000000, -0.0001392400000000, -0.0001899900000000 ] - [ 0.0003943400000000, -0.0001368800000000, 0.0002665000000000 ] - [ 0.0020246200000000, 0.0007117700000000, -0.0020575600000000 ] - [ -0.0015732000000000, 0.0003379000000000, -0.0000752700000000 ] - [ -0.0002658600000000, -0.0005164100000000, 0.0001516300000000 ] - [ -0.0010868600000000, -0.0002009600000000, 0.0003945600000000 ] - [ 0.0025186300000000, 0.0048601000000000, -0.0095220500000000 ] - [ -0.0010120200000000, -0.0004330800000000, 0.0004540900000000 ] - [ -0.0013413100000000, 0.0012705000000000, -0.0000256900000000 ] - [ 0.0002346300000000, -0.0006470600000000, -0.0002132500000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000858800000000, 0.0000445700000000, -0.0000862400000000 ] - [ 0.0015808600000000, -0.0005095200000000, 0.0015376700000000 ] - [ 0.0006501600000000, -0.0008152700000000, 0.0007089300000000 ] - [ 0.0002507900000000, -0.0001091200000000, -0.0000542200000000 ] - [ -0.0010841400000000, 0.0006915000000000, -0.0004610800000000 ] - [ 0.0002710400000000, -0.0000228500000000, -0.0001163000000000 ] - [ 0.0011474900000000, 0.0057060100000000, 0.0027181200000000 ] - [ 0.0004841000000000, 0.0000404800000000, -0.0001243200000000 ] - [ 0.0003452300000000, -0.0003025800000000, 0.0003155700000000 ] - [ 0.0007219700000000, -0.0019970100000000, -0.0012815200000000 ] - [ 0.0026105000000000, -0.0024272300000000, -0.0024910100000000 ] - [ 0.0001346000000000, 0.0001510200000000, 0.0003293100000000 ] - [ 0.0012486100000000, 0.0102782300000000, -0.0048580500000000 ] - [ 0.0007976100000000, 0.0003093700000000, 0.0000232200000000 ] - [ -0.0029354600000000, 0.0014219000000000, 0.0018584700000000 ] - [ 0.0007276600000000, -0.0001588400000000, 0.0001759700000000 ] - [ 0.0003268300000000, -0.0010716000000000, 0.0005340400000000 ] - [ -0.0012208000000000, -0.0015793600000000, 0.0006923400000000 ] - [ -0.0003434400000000, 0.0002793800000000, 0.0004962800000000 ] - [ 0.0006572900000000, -0.0002145100000000, -0.0002742000000000 ] - [ -0.0284815800000000, 0.0471808400000000, -0.0195230300000000 ] - [ 0.0003900700000000, 0.0002359700000000, -0.0004191500000000 ] - [ -0.0000814100000000, -0.0001666100000000, 0.0005380100000000 ] - [ 0.0006742100000000, 0.0000279700000000, 0.0002359500000000 ] - [ -0.0016655200000000, -0.0010940400000000, -0.0006194900000000 ] - [ 0.0022999800000000, -0.0009266100000000, 0.0003013300000000 ] - [ -0.0147665900000000, -0.0230730400000000, -0.0023267900000000 ] - [ 0.0013108700000000, 0.0001892200000000, -0.0000159500000000 ] - [ -0.0002792700000000, -0.0001070300000000, 0.0002866800000000 ] - [ -0.0016709600000000, -0.0001813100000000, -0.0001963300000000 ] - [ -0.0008463000000000, -0.0020356200000000, 0.0001383300000000 ] - [ 0.0006176600000000, -0.0003086300000000, -0.0000064100000000 ] - [ -0.0019413600000000, 0.0003029700000000, -0.0016647400000000 ] - [ -0.0002973300000000, -0.0000897700000000, -0.0002206600000000 ] - [ -0.0997235500000000, 0.1252728500000000, 0.0585092500000000 ] - [ 0.0022935700000000, 0.0003579300000000, -0.0001947300000000 ] - [ 0.0003238600000000, 0.0015379000000000, 0.0004676400000000 ] - [ 0.0002873000000000, 0.0011033800000000, -0.0001611600000000 ] - [ 0.0036625200000000, 0.0034416800000000, 0.0029758200000000 ] - [ 0.0023716300000000, 0.0028758400000000, -0.0018790400000000 ] - [ 0.0004934600000000, -0.0009902800000000, -0.0004342200000000 ] - [ -0.0012700000000000, 0.0010949700000000, 0.0004135200000000 ] - [ 0.0019861200000000, 0.0053632900000000, 0.0018483700000000 ] - [ -0.0004306800000000, 0.0002304200000000, 0.0005169900000000 ] - [ 0.0029322400000000, 0.0039359500000000, -0.0002563000000000 ] - [ -0.0003081100000000, 0.0001539900000000, 0.0001876700000000 ] - [ -0.0127203200000000, -0.0022163900000000, -0.0007201200000000 ] - [ -0.0010363900000000, -0.0007286800000000, -0.0005007100000000 ] - [ -0.0078790300000000, 0.0411571600000000, 0.0072755600000000 ] - [ -0.0006510700000000, -0.0009943500000000, 0.0000639500000000 ] - [ 0.0002253200000000, 0.0003263500000000, 0.0003017500000000 ] - [ -0.0006822200000000, -0.0003126800000000, -0.0000835500000000 ] - [ 0.0000004200000000, 0.0009763100000000, 0.0005455700000000 ] - [ -0.0010410300000000, 0.0002417600000000, 0.0001779100000000 ] - [ -0.0039371300000000, 0.0347044100000000, -0.0018292700000000 ] - [ -0.0001927600000000, 0.0001928400000000, 0.0000388900000000 ] - [ -0.0009749600000000, -0.0005787500000000, -0.0001212500000000 ] - [ -0.0008606600000000, -0.0003207000000000, -0.0000889400000000 ] - [ 0.0006854100000000, 0.0016212200000000, -0.0000716900000000 ] - [ -0.0001890600000000, 0.0006825400000000, 0.0000547400000000 ] - [ -0.0012141400000000, -0.0000466200000000, -0.0010576500000000 ] - [ 0.0009845100000000, -0.0014720500000000, 0.0002957100000000 ] - [ 0.1775191400000000, -0.2435334400000000, -0.0415947500000000 ] - [ -0.0001915600000000, -0.0006293300000000, 0.0000980700000000 ] - [ -0.0001974500000000, -0.0008515700000000, 0.0001326400000000 ] - [ 0.0005127600000000, -0.0011132800000000, 0.0003870300000000 ] - [ 0.0005919000000000, -0.0001823600000000, 0.0001564000000000 ] - [ -0.0009686000000000, 0.0008399600000000, -0.0001198400000000 ] - [ 0.0007877100000000, 0.0017841300000000, 0.0006890000000000 ] - [ -0.0013740700000000, -0.0002607500000000, 0.0002664800000000 ] - [ -0.0001798300000000, -0.0013394400000000, 0.0027777000000000 ] - [ 0.0004592300000000, -0.0005948300000000, -0.0005284800000000 ] - [ 0.0008473700000000, 0.0013150700000000, 0.0001036700000000 ] - [ 0.0002636500000000, 0.0013194800000000, 0.0000236300000000 ] - [ -0.0063431600000000, -0.0022789100000000, 0.0078125400000000 ] - [ -0.0011893800000000, 0.0004349200000000, -0.0005536600000000 ] - [ 0.0010088900000000, -0.0002878200000000, -0.0010402400000000 ] - [ -0.0007249600000000, 0.0001945900000000, -0.0001301100000000 ] - [ -0.0007814700000000, -0.0003434000000000, 0.0003578100000000 ] - [ -0.0005359400000000, -0.0005071900000000, -0.0001166900000000 ] - [ 0.0003144300000000, 0.0011798400000000, 0.0001885300000000 ] - [ -0.0006308800000000, 0.0001341000000000, 0.0004132100000000 ] - [ -0.0011964800000000, -0.0009733700000000, -0.0003290200000000 ] - [ -0.0081208900000000, -0.0065852100000000, 0.0024869000000000 ] - [ 0.0004722400000000, 0.0006687500000000, 0.0003357000000000 ] - [ 0.0009517800000000, 0.0008892100000000, 0.0007620400000000 ] - [ -0.0003820500000000, -0.0002725800000000, -0.0007467100000000 ] - [ -0.0004145400000000, -0.0004504000000000, 0.0000270200000000 ] - [ -0.0005873200000000, -0.0004076400000000, -0.0024744500000000 ] - [ -0.0006735200000000, 0.0003169600000000, -0.0000121100000000 ] - [ -0.0003383600000000, -0.0002693600000000, -0.0001365500000000 ] - [ -0.0007174100000000, -0.0002734300000000, 0.0001717000000000 ] - [ -0.0040705000000000, 0.0024983400000000, -0.0115954300000000 ] - [ 0.0001476000000000, -0.0003688100000000, 0.0000932700000000 ] - [ -0.0000846200000000, 0.0008422100000000, -0.0000299300000000 ] - [ 0.0011435200000000, 0.0018263800000000, -0.0003007900000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000855100000000, 0.0000445000000000, 0.0001523400000000 ] - [ -0.0017694400000000, 0.0005837000000000, -0.0014776600000000 ] - [ -0.0004762600000000, 0.0007240000000000, -0.0006387500000000 ] - [ -0.0000831200000000, 0.0000170000000000, 0.0001191600000000 ] - [ 0.0009078500000000, -0.0007909500000000, 0.0003945700000000 ] - [ -0.0004395500000000, -0.0000703100000000, 0.0000482700000000 ] - [ -0.0008200900000000, -0.0054321800000000, -0.0025489200000000 ] - [ -0.0003086300000000, 0.0000509700000000, 0.0000587700000000 ] - [ -0.0002262600000000, -0.0001835400000000, -0.0000560300000000 ] - [ -0.0006074400000000, 0.0014892600000000, 0.0015382800000000 ] - [ -0.0026963300000000, 0.0029191200000000, 0.0027294000000000 ] - [ -0.0002550300000000, 0.0003337300000000, -0.0000706900000000 ] - [ -0.0012710900000000, -0.0098147900000000, 0.0047603300000000 ] - [ -0.0006776500000000, 0.0001715700000000, -0.0002773000000000 ] - [ 0.0028179000000000, -0.0018772000000000, -0.0021104200000000 ] - [ -0.0008390500000000, -0.0003253700000000, -0.0004349500000000 ] - [ -0.0010730300000000, 0.0006337600000000, 0.0000660100000000 ] - [ 0.0004322100000000, 0.0011470900000000, -0.0000784400000000 ] - [ 0.0010912600000000, -0.0007218900000000, -0.0010894400000000 ] - [ 0.0000962700000000, -0.0002287600000000, -0.0003259800000000 ] - [ 0.0254101100000000, -0.0448367100000000, 0.0176270800000000 ] - [ -0.0011350400000000, 0.0002058200000000, -0.0001827300000000 ] - [ 0.0008338300000000, 0.0006045100000000, 0.0000625200000000 ] - [ 0.0000768600000000, 0.0004087400000000, 0.0003634700000000 ] - [ 0.0034722800000000, 0.0008249200000000, 0.0012521800000000 ] - [ -0.0005345700000000, 0.0006566800000000, 0.0003200300000000 ] - [ 0.0150642400000000, 0.0235859700000000, 0.0023821600000000 ] - [ -0.0010390800000000, 0.0002934000000000, -0.0000474600000000 ] - [ -0.0014771300000000, 0.0003524000000000, 0.0003368800000000 ] - [ -0.0001010000000000, 0.0004304000000000, 0.0008159800000000 ] - [ 0.0005790400000000, 0.0015431500000000, -0.0002103500000000 ] - [ -0.0008797900000000, -0.0001770600000000, -0.0000563900000000 ] - [ 0.0001762300000000, -0.0005438800000000, 0.0010428200000000 ] - [ -0.0014616700000000, -0.0001553700000000, -0.0004025900000000 ] - [ 0.1062544200000000, -0.1276361200000000, -0.0620698000000000 ] - [ -0.0005259000000000, -0.0001157200000000, -0.0004296700000000 ] - [ -0.0005869500000000, -0.0010550200000000, -0.0004048700000000 ] - [ -0.0005510200000000, -0.0006161800000000, 0.0002244800000000 ] - [ -0.0034158800000000, -0.0039435100000000, -0.0029302000000000 ] - [ -0.0020517200000000, -0.0032945300000000, 0.0018919100000000 ] - [ -0.0007057200000000, 0.0024921600000000, 0.0003039800000000 ] - [ 0.0010416300000000, 0.0004016100000000, -0.0005273300000000 ] - [ -0.0015120800000000, -0.0054307300000000, -0.0008899200000000 ] - [ 0.0008718800000000, -0.0002762600000000, 0.0005003100000000 ] - [ -0.0018697100000000, -0.0041361800000000, 0.0005596900000000 ] - [ 0.0014011000000000, -0.0003681300000000, 0.0001556400000000 ] - [ 0.0132106200000000, 0.0021775800000000, -0.0003116700000000 ] - [ 0.0014701600000000, 0.0007589500000000, -0.0005137100000000 ] - [ 0.0079880000000000, -0.0434042100000000, -0.0071937600000000 ] - [ 0.0004387400000000, -0.0004974200000000, 0.0000657200000000 ] - [ -0.0009264800000000, -0.0008935300000000, -0.0003240400000000 ] - [ -0.0000266900000000, -0.0002623200000000, 0.0000578200000000 ] - [ -0.0010924700000000, -0.0007632000000000, -0.0001953600000000 ] - [ -0.0000578600000000, -0.0000269700000000, 0.0001649600000000 ] - [ 0.0044478400000000, -0.0336771100000000, 0.0018152000000000 ] - [ 0.0008957500000000, 0.0003777900000000, -0.0000632600000000 ] - [ -0.0001212300000000, 0.0003614800000000, -0.0002199300000000 ] - [ -0.0002356500000000, 0.0001023300000000, -0.0002526000000000 ] - [ -0.0004757900000000, -0.0001355100000000, 0.0002021000000000 ] - [ 0.0003974900000000, 0.0008051200000000, 0.0000757400000000 ] - [ 0.0019217300000000, -0.0005296700000000, 0.0010864900000000 ] - [ -0.0002665300000000, 0.0008734700000000, -0.0002641700000000 ] - [ -0.1788223100000000, 0.2427910000000000, 0.0454668000000000 ] - [ 0.0013614600000000, -0.0009534800000000, -0.0001012600000000 ] - [ 0.0004056500000000, -0.0006402800000000, -0.0002620700000000 ] - [ -0.0003012700000000, -0.0003844300000000, -0.0005181300000000 ] - [ -0.0017613900000000, 0.0017599100000000, -0.0001582300000000 ] - [ -0.0002071600000000, 0.0007425900000000, 0.0001166700000000 ] - [ -0.0022787900000000, -0.0028802000000000, 0.0001671600000000 ] - [ -0.0000993800000000, -0.0008377000000000, 0.0005808800000000 ] - [ 0.0016506300000000, 0.0002180200000000, -0.0036176700000000 ] - [ 0.0010090000000000, -0.0005165400000000, -0.0003205000000000 ] - [ 0.0003132700000000, 0.0002644800000000, -0.0001043900000000 ] - [ 0.0009213500000000, 0.0002700800000000, -0.0000246700000000 ] - [ 0.0048731500000000, 0.0035036800000000, -0.0086449400000000 ] - [ -0.0002820900000000, 0.0006729900000000, -0.0002950800000000 ] - [ -0.0017173400000000, 0.0008603700000000, 0.0010661400000000 ] - [ 0.0000171000000000, 0.0003795200000000, 0.0001518000000000 ] - [ -0.0003952200000000, -0.0012407700000000, -0.0003521600000000 ] - [ -0.0006330400000000, -0.0010752900000000, 0.0001204500000000 ] - [ -0.0007628300000000, -0.0011282600000000, 0.0008313300000000 ] - [ 0.0001824400000000, -0.0000888100000000, 0.0006018500000000 ] - [ 0.0022881600000000, 0.0011896700000000, -0.0000137300000000 ] - [ 0.0090342200000000, 0.0068957700000000, -0.0028007700000000 ] - [ 0.0009954600000000, 0.0004376500000000, 0.0005125200000000 ] - [ 0.0005229100000000, 0.0002192500000000, 0.0000857100000000 ] - [ -0.0000671700000000, 0.0002265700000000, -0.0002682800000000 ] - [ -0.0000332900000000, 0.0004016200000000, -0.0010392500000000 ] - [ -0.0003716600000000, 0.0010984100000000, 0.0024366500000000 ] - [ -0.0002854700000000, 0.0003582200000000, -0.0000070100000000 ] - [ -0.0006205600000000, -0.0004077900000000, 0.0001553400000000 ] - [ -0.0002408000000000, -0.0004034500000000, -0.0001519900000000 ] - [ 0.0049996200000000, -0.0032416300000000, 0.0115510100000000 ] - [ 0.0008082800000000, -0.0003089200000000, -0.0001097500000000 ] - [ 0.0010403100000000, -0.0001720000000000, 0.0000482600000000 ] - [ -0.0001623000000000, -0.0011611200000000, 0.0003214100000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004695700000000, 0.0001642700000000, 0.0003147800000000 ] - [ -0.0013295700000000, 0.0007934500000000, 0.0006297900000000 ] - [ -0.0010534300000000, 0.0005359100000000, -0.0010025900000000 ] - [ 0.0004973500000000, -0.0000596100000000, -0.0002550400000000 ] - [ -0.0019402000000000, -0.0011201100000000, -0.0025178800000000 ] - [ 0.0002458600000000, -0.0000180100000000, -0.0001986800000000 ] - [ 0.0018090700000000, 0.0027534200000000, 0.0062584500000000 ] - [ 0.0003713200000000, 0.0000434000000000, 0.0001214500000000 ] - [ 0.0001242300000000, -0.0002205700000000, -0.0004603900000000 ] - [ 0.0021672100000000, -0.0034172300000000, -0.0031936900000000 ] - [ 0.0011085000000000, -0.0006193900000000, 0.0015429400000000 ] - [ -0.0001162800000000, 0.0001698700000000, 0.0005898500000000 ] - [ -0.0026436300000000, -0.0023926400000000, 0.0105556300000000 ] - [ 0.0003991400000000, 0.0002711400000000, 0.0002275300000000 ] - [ 0.0022871000000000, 0.0039885100000000, -0.0060832200000000 ] - [ 0.0002571900000000, -0.0002827000000000, -0.0005144000000000 ] - [ -0.0003569700000000, -0.0002457600000000, 0.0007801300000000 ] - [ 0.0001580400000000, 0.0002130000000000, 0.0016841100000000 ] - [ -0.0004846300000000, -0.0004271100000000, -0.0054186300000000 ] - [ 0.0009596900000000, -0.0001678300000000, -0.0003718600000000 ] - [ 0.0127804000000000, -0.0159775300000000, 0.0297433300000000 ] - [ 0.0000835500000000, 0.0002369900000000, -0.0001918600000000 ] - [ 0.0010577800000000, 0.0011600700000000, -0.0010531900000000 ] - [ 0.0003942900000000, 0.0001804400000000, -0.0002703100000000 ] - [ -0.0011897500000000, -0.0010073600000000, 0.0040246000000000 ] - [ 0.0022609200000000, -0.0002838700000000, 0.0011708500000000 ] - [ -0.0009511100000000, -0.0000494000000000, 0.0043386900000000 ] - [ 0.0008891700000000, 0.0001977700000000, 0.0002354200000000 ] - [ 0.0002204400000000, -0.0000225400000000, -0.0003662400000000 ] - [ -0.0022543700000000, -0.0003070500000000, -0.0022778700000000 ] - [ -0.0020479400000000, -0.0001512700000000, -0.0033233300000000 ] - [ 0.0006056500000000, -0.0002676700000000, -0.0002508100000000 ] - [ -0.0022655900000000, 0.0001551000000000, -0.0070584400000000 ] - [ -0.0004052700000000, -0.0001495300000000, -0.0004300400000000 ] - [ -0.0637772000000000, 0.0568607300000000, 0.0801384000000000 ] - [ 0.0014162400000000, 0.0001399900000000, -0.0001386800000000 ] - [ 0.0013489000000000, -0.0012559200000000, -0.0019776800000000 ] - [ -0.0003321600000000, 0.0009736200000000, -0.0017961200000000 ] - [ -0.0008357100000000, 0.0007639600000000, 0.0025302900000000 ] - [ 0.0023860500000000, -0.0005768800000000, 0.0023251900000000 ] - [ 0.0013834600000000, 0.0010283200000000, -0.0011132400000000 ] - [ -0.0007763500000000, 0.0008431200000000, -0.0009793600000000 ] - [ 0.0002242100000000, -0.0009782800000000, -0.0012049000000000 ] - [ -0.0000119300000000, 0.0000261300000000, 0.0005460700000000 ] - [ 0.0020587700000000, 0.0009545400000000, -0.0015941500000000 ] - [ -0.0002085800000000, 0.0000485900000000, 0.0000645800000000 ] - [ -0.0025396600000000, 0.0007874300000000, -0.0069461400000000 ] - [ -0.0003018700000000, -0.0000577800000000, -0.0011139800000000 ] - [ 0.0003104200000000, -0.0046210700000000, -0.0085933000000000 ] - [ -0.0004254900000000, -0.0008551600000000, -0.0000861300000000 ] - [ 0.0007285600000000, 0.0000367100000000, 0.0030907200000000 ] - [ -0.0006861000000000, -0.0003634700000000, 0.0001001400000000 ] - [ 0.0005761100000000, 0.0004270100000000, 0.0015038900000000 ] - [ -0.0012184900000000, 0.0002474500000000, 0.0002680100000000 ] - [ 0.0006686000000000, 0.0025083500000000, -0.0061196900000000 ] - [ 0.0000653800000000, 0.0002705900000000, -0.0001341800000000 ] - [ -0.0006510900000000, -0.0000371200000000, 0.0019603500000000 ] - [ -0.0007451000000000, -0.0002046500000000, 0.0002703200000000 ] - [ 0.0007744700000000, 0.0007919200000000, 0.0025923600000000 ] - [ -0.0001862900000000, 0.0006802100000000, 0.0002023900000000 ] - [ 0.0004687700000000, -0.0003309100000000, -0.0007334000000000 ] - [ -0.0012647700000000, -0.0008757100000000, -0.0008755000000000 ] - [ 0.0616503400000000, -0.0437667700000000, -0.1354791700000000 ] - [ 0.0002190400000000, -0.0006929200000000, -0.0000661700000000 ] - [ -0.0005443200000000, -0.0002929000000000, 0.0002216600000000 ] - [ 0.0010069300000000, -0.0007451500000000, 0.0012342400000000 ] - [ 0.0005195000000000, 0.0006365700000000, 0.0037363500000000 ] - [ -0.0009869000000000, 0.0009113900000000, 0.0000594600000000 ] - [ -0.0017501300000000, -0.0020125300000000, -0.0027653700000000 ] - [ -0.0010322300000000, -0.0004497500000000, -0.0001551700000000 ] - [ -0.0016421800000000, 0.0027553500000000, 0.0057140000000000 ] - [ 0.0005731700000000, -0.0005560600000000, -0.0004925200000000 ] - [ 0.0010425400000000, 0.0008172500000000, -0.0006348600000000 ] - [ -0.0004036200000000, 0.0008965200000000, -0.0006318400000000 ] - [ -0.0171828800000000, 0.0148946200000000, 0.0159551800000000 ] - [ -0.0008951400000000, 0.0005406600000000, -0.0003525100000000 ] - [ -0.0034744500000000, 0.0007260100000000, 0.0026889800000000 ] - [ -0.0002039400000000, 0.0001996000000000, 0.0004128400000000 ] - [ -0.0013547900000000, -0.0011507400000000, 0.0003005400000000 ] - [ -0.0001888300000000, -0.0006739500000000, 0.0004147500000000 ] - [ 0.0003906300000000, -0.0019980200000000, 0.0027358300000000 ] - [ -0.0004774700000000, 0.0000728800000000, 0.0004943000000000 ] - [ 0.0002430000000000, -0.0000072200000000, -0.0006955100000000 ] - [ 0.0036648800000000, 0.0006226100000000, -0.0080932400000000 ] - [ 0.0004929000000000, 0.0005999900000000, 0.0009349900000000 ] - [ 0.0006083600000000, 0.0007866000000000, 0.0025132500000000 ] - [ -0.0010733900000000, 0.0000363300000000, 0.0003088500000000 ] - [ -0.0002261800000000, -0.0003045500000000, 0.0024209400000000 ] - [ 0.0019999100000000, -0.0017529800000000, 0.0069553400000000 ] - [ -0.0008363800000000, 0.0003341300000000, -0.0000618500000000 ] - [ -0.0004394600000000, -0.0004457900000000, 0.0010212200000000 ] - [ -0.0009943000000000, -0.0003595600000000, 0.0006085900000000 ] - [ 0.0095602000000000, -0.0111124700000000, 0.0130722400000000 ] - [ 0.0001579900000000, -0.0003429800000000, 0.0000276200000000 ] - [ 0.0001612800000000, 0.0003085600000000, -0.0003882500000000 ] - [ 0.0008590300000000, 0.0006174000000000, -0.0011800900000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006412700000000, -0.0000704000000000, -0.0002413300000000 ] - [ 0.0011498100000000, -0.0006974900000000, -0.0005424900000000 ] - [ 0.0012280300000000, -0.0006307500000000, 0.0010632500000000 ] - [ -0.0003258700000000, -0.0000337800000000, 0.0003195600000000 ] - [ 0.0017733900000000, 0.0010316500000000, 0.0024458900000000 ] - [ -0.0004187300000000, -0.0000752100000000, 0.0001256600000000 ] - [ -0.0014432900000000, -0.0023948500000000, -0.0060878500000000 ] - [ -0.0001961400000000, 0.0000504200000000, -0.0001874300000000 ] - [ -0.0000076100000000, -0.0002623100000000, 0.0007102900000000 ] - [ -0.0020629400000000, 0.0029470200000000, 0.0034407900000000 ] - [ -0.0012260300000000, 0.0011051300000000, -0.0012494500000000 ] - [ 0.0000041900000000, 0.0003134300000000, -0.0003214000000000 ] - [ 0.0023229200000000, 0.0025413200000000, -0.0103208800000000 ] - [ -0.0002815000000000, 0.0002111200000000, -0.0004771800000000 ] - [ -0.0024158300000000, -0.0044960200000000, 0.0058256900000000 ] - [ -0.0003703800000000, -0.0002011800000000, 0.0002488600000000 ] - [ -0.0003962600000000, -0.0001930400000000, -0.0001823000000000 ] - [ -0.0009015900000000, -0.0006529500000000, -0.0010929900000000 ] - [ 0.0012310000000000, -0.0000161500000000, 0.0047984400000000 ] - [ -0.0002035800000000, -0.0002729400000000, -0.0002278700000000 ] - [ -0.0138969300000000, 0.0167943300000000, -0.0300713000000000 ] - [ -0.0008287700000000, 0.0002050400000000, -0.0004110000000000 ] - [ -0.0002965300000000, -0.0007087400000000, 0.0016444100000000 ] - [ 0.0003545000000000, 0.0002609800000000, 0.0008719200000000 ] - [ 0.0029313700000000, 0.0007555000000000, -0.0033997600000000 ] - [ -0.0004945200000000, 0.0000274500000000, -0.0005534400000000 ] - [ 0.0012016800000000, 0.0005181800000000, -0.0044941100000000 ] - [ -0.0006191000000000, 0.0002833000000000, -0.0002995700000000 ] - [ -0.0019713700000000, 0.0002667300000000, 0.0009898000000000 ] - [ 0.0004826100000000, 0.0005497400000000, 0.0029043300000000 ] - [ 0.0017713800000000, -0.0003227700000000, 0.0032565700000000 ] - [ -0.0008694200000000, -0.0002145900000000, 0.0001883600000000 ] - [ 0.0005082100000000, -0.0004047100000000, 0.0064144200000000 ] - [ -0.0013561200000000, -0.0000976700000000, -0.0001924300000000 ] - [ 0.0670105200000000, -0.0579566700000000, -0.0803960400000000 ] - [ 0.0003416400000000, 0.0001046700000000, -0.0004897600000000 ] - [ -0.0015946900000000, 0.0017257300000000, 0.0020313500000000 ] - [ 0.0000476200000000, -0.0004939900000000, 0.0018614300000000 ] - [ 0.0010719100000000, -0.0012650800000000, -0.0025001800000000 ] - [ -0.0020731900000000, 0.0001331700000000, -0.0023200900000000 ] - [ -0.0015935800000000, 0.0004668500000000, 0.0009882600000000 ] - [ 0.0005551500000000, 0.0006544000000000, 0.0008627900000000 ] - [ 0.0002141900000000, 0.0009410000000000, 0.0022471300000000 ] - [ 0.0004541300000000, -0.0000697100000000, 0.0004723000000000 ] - [ -0.0009471600000000, -0.0011802500000000, 0.0019492900000000 ] - [ 0.0013044600000000, -0.0002646200000000, 0.0002726600000000 ] - [ 0.0030969900000000, -0.0007726100000000, 0.0059122900000000 ] - [ 0.0007310300000000, 0.0000936300000000, 0.0001005600000000 ] - [ -0.0005680500000000, 0.0032436800000000, 0.0087461100000000 ] - [ 0.0002134300000000, -0.0006369100000000, 0.0002184300000000 ] - [ -0.0014346500000000, -0.0006180200000000, -0.0031083900000000 ] - [ -0.0000228200000000, -0.0002117900000000, -0.0001235000000000 ] - [ -0.0016658200000000, -0.0002122000000000, -0.0011719800000000 ] - [ 0.0001161200000000, -0.0000300200000000, 0.0000681000000000 ] - [ 0.0000760700000000, -0.0020394600000000, 0.0060915900000000 ] - [ 0.0006384900000000, 0.0003032600000000, 0.0001094800000000 ] - [ -0.0004584400000000, -0.0001804700000000, -0.0022880500000000 ] - [ -0.0003483500000000, -0.0000106700000000, -0.0006058100000000 ] - [ -0.0005591200000000, 0.0007029800000000, -0.0024512400000000 ] - [ 0.0003974200000000, 0.0008110400000000, -0.0000690500000000 ] - [ 0.0002433100000000, -0.0002457200000000, 0.0007679900000000 ] - [ 0.0019741800000000, 0.0002969700000000, 0.0009174200000000 ] - [ -0.0613501000000000, 0.0432873200000000, 0.1345503100000000 ] - [ 0.0009558900000000, -0.0008925500000000, 0.0000612200000000 ] - [ 0.0007494100000000, -0.0011939000000000, -0.0003568700000000 ] - [ -0.0007877700000000, -0.0007448200000000, -0.0013695700000000 ] - [ -0.0016940900000000, 0.0009520500000000, -0.0037308800000000 ] - [ -0.0001909100000000, 0.0006752400000000, -0.0000622900000000 ] - [ 0.0002862900000000, 0.0008952100000000, 0.0035908100000000 ] - [ -0.0004441700000000, -0.0006527400000000, 0.0010067600000000 ] - [ 0.0030799900000000, -0.0038253100000000, -0.0065299800000000 ] - [ 0.0008955400000000, -0.0005517500000000, -0.0003622300000000 ] - [ 0.0001358200000000, 0.0007680100000000, 0.0006396700000000 ] - [ 0.0015791800000000, 0.0006872000000000, 0.0006428000000000 ] - [ 0.0159637800000000, -0.0140112700000000, -0.0170810400000000 ] - [ -0.0005742900000000, 0.0005670000000000, -0.0004954700000000 ] - [ 0.0027368100000000, -0.0001463600000000, -0.0026441700000000 ] - [ -0.0004966400000000, 0.0003743400000000, -0.0003946200000000 ] - [ 0.0001723900000000, -0.0004409500000000, -0.0003002300000000 ] - [ -0.0009816900000000, -0.0009106300000000, -0.0004165200000000 ] - [ -0.0008332600000000, 0.0020225500000000, -0.0017152300000000 ] - [ 0.0000321000000000, -0.0000281200000000, 0.0005162200000000 ] - [ 0.0008639500000000, 0.0002290100000000, 0.0003597400000000 ] - [ -0.0027072000000000, -0.0003720000000000, 0.0077911500000000 ] - [ 0.0009729700000000, 0.0005080100000000, -0.0000801900000000 ] - [ 0.0008649100000000, 0.0003190100000000, -0.0016607900000000 ] - [ 0.0006197200000000, -0.0000798700000000, -0.0013168200000000 ] - [ -0.0002067800000000, 0.0002634000000000, -0.0034331400000000 ] - [ -0.0029271100000000, 0.0023976000000000, -0.0068958500000000 ] - [ -0.0001251400000000, 0.0003419300000000, 0.0000467300000000 ] - [ -0.0005227100000000, -0.0002330000000000, -0.0010024800000000 ] - [ 0.0000389800000000, -0.0003175900000000, -0.0005968100000000 ] - [ -0.0087542000000000, 0.0106192900000000, -0.0132962100000000 ] - [ 0.0007988100000000, -0.0003332900000000, -0.0000375800000000 ] - [ 0.0008003700000000, 0.0003636600000000, 0.0003969600000000 ] - [ 0.0000930200000000, 0.0000583200000000, 0.0011880700000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004468200000000, 0.0006519500000000, 0.0027601200000000 ] - [ -0.0013649100000000, 0.0000614500000000, -0.0004551400000000 ] - [ 0.0024666100000000, -0.0001525000000000, -0.0004287600000000 ] - [ -0.0007924100000000, -0.0000460200000000, 0.0000543600000000 ] - [ 0.0014266200000000, -0.0009798100000000, 0.0005632500000000 ] - [ -0.0009518700000000, -0.0000365500000000, -0.0001751200000000 ] - [ -0.0006324000000000, 0.0000575500000000, -0.0007015400000000 ] - [ -0.0008065100000000, -0.0000287800000000, 0.0007163600000000 ] - [ -0.0008593500000000, 0.0008644500000000, -0.0024765500000000 ] - [ -0.0016749700000000, -0.0002205700000000, 0.0008320500000000 ] - [ 0.0101940900000000, -0.0009834900000000, 0.0008321400000000 ] - [ -0.0020085000000000, 0.0003270400000000, 0.0002167800000000 ] - [ 0.0125842600000000, 0.0047763300000000, 0.0036179200000000 ] - [ -0.0019643700000000, 0.0002017700000000, 0.0003038700000000 ] - [ -0.0005287400000000, -0.0001078800000000, 0.0007630300000000 ] - [ -0.0009820000000000, -0.0004485700000000, -0.0011667600000000 ] - [ -0.0030811100000000, -0.0036218200000000, -0.0014159300000000 ] - [ -0.0023948400000000, -0.0000396200000000, 0.0003472400000000 ] - [ -0.0000395400000000, -0.0007352400000000, -0.0011634500000000 ] - [ 0.0000832300000000, 0.0000467900000000, 0.0000820400000000 ] - [ 0.0039790500000000, 0.0016840700000000, 0.0009214700000000 ] - [ -0.0022909200000000, 0.0002986900000000, -0.0003924000000000 ] - [ 0.0044453000000000, 0.0002929800000000, 0.0003360300000000 ] - [ -0.0009320100000000, 0.0002253700000000, 0.0003891900000000 ] - [ 0.0441332900000000, 0.0018518400000000, 0.0092963400000000 ] - [ -0.0023611500000000, 0.0000813700000000, 0.0001580500000000 ] - [ -0.0082584800000000, 0.0061672400000000, 0.0034558500000000 ] - [ -0.0037503200000000, -0.0004385200000000, -0.0007743800000000 ] - [ -0.0010087800000000, -0.0007526000000000, 0.0004115900000000 ] - [ -0.0026559400000000, 0.0002231500000000, 0.0003873000000000 ] - [ -0.0008488800000000, 0.0009203100000000, -0.0012354700000000 ] - [ -0.0021332700000000, -0.0003268700000000, 0.0000300400000000 ] - [ 0.0018631000000000, 0.0007415500000000, -0.0019988600000000 ] - [ -0.0028976100000000, -0.0003203600000000, -0.0002951900000000 ] - [ -0.0033373100000000, -0.0035915500000000, 0.0018376600000000 ] - [ -0.0044015200000000, 0.0003398000000000, -0.0020750900000000 ] - [ 0.0023696800000000, 0.0003828800000000, 0.0003795500000000 ] - [ -0.0023846600000000, 0.0002438700000000, -0.0000341000000000 ] - [ 0.0065037200000000, 0.0044807700000000, -0.0009927500000000 ] - [ -0.0032986500000000, -0.0004271900000000, 0.0002105800000000 ] - [ -0.0074012800000000, -0.0022029200000000, 0.0047981400000000 ] - [ 0.0012692100000000, 0.0003096900000000, -0.0001420100000000 ] - [ 0.0026092700000000, -0.0012275200000000, -0.0004972700000000 ] - [ 0.0022540300000000, 0.0002062400000000, 0.0010565400000000 ] - [ 0.0022000400000000, -0.0042456500000000, -0.0174324100000000 ] - [ 0.0030271800000000, -0.0005233100000000, 0.0004349300000000 ] - [ -0.0049518200000000, -0.0008581700000000, -0.0017447000000000 ] - [ 0.0022775200000000, 0.0002917800000000, -0.0002871700000000 ] - [ 0.0052737500000000, 0.0004030400000000, -0.0018962700000000 ] - [ 0.0023129900000000, -0.0002657800000000, 0.0007159000000000 ] - [ 0.0000932600000000, -0.0001855300000000, 0.0000607300000000 ] - [ 0.0004717700000000, -0.0002120200000000, 0.0003115000000000 ] - [ 0.0003535100000000, -0.0002888100000000, 0.0006864800000000 ] - [ 0.0002620400000000, 0.0001391500000000, -0.0002559800000000 ] - [ 0.0015956700000000, -0.0066007300000000, -0.0010546000000000 ] - [ 0.0020510300000000, 0.0006743000000000, -0.0003049700000000 ] - [ -0.0029511000000000, -0.0008200800000000, 0.0001605700000000 ] - [ 0.0010175200000000, 0.0002040700000000, -0.0001783300000000 ] - [ -0.0006087700000000, -0.0001237800000000, 0.0005676600000000 ] - [ 0.0009802200000000, 0.0010355300000000, 0.0000635100000000 ] - [ -0.0007624300000000, 0.0007409900000000, 0.0008068600000000 ] - [ 0.0017435200000000, -0.0005152900000000, 0.0000096100000000 ] - [ 0.0013650500000000, 0.0007467300000000, -0.0010242300000000 ] - [ 0.0030518900000000, -0.0014303500000000, -0.0002963600000000 ] - [ -0.0007508000000000, -0.0001117700000000, -0.0003455300000000 ] - [ 0.0010130900000000, -0.0009976700000000, 0.0000500900000000 ] - [ -0.0012753200000000, 0.0010091400000000, 0.0001278600000000 ] - [ 0.0003482300000000, 0.0005322400000000, 0.0002392700000000 ] - [ -0.0611124500000000, -0.0069353400000000, -0.0202143300000000 ] - [ 0.0006855300000000, -0.0005486900000000, 0.0005563600000000 ] - [ -0.0009993800000000, 0.0017879300000000, 0.0009812200000000 ] - [ 0.0016961200000000, -0.0005976400000000, -0.0004793600000000 ] - [ -0.0005385100000000, 0.0063754800000000, 0.0165405400000000 ] - [ 0.0024804000000000, 0.0012474800000000, 0.0001606600000000 ] - [ 0.0003509200000000, 0.0014390400000000, -0.0018273400000000 ] - [ 0.0003557700000000, 0.0003308500000000, 0.0007316600000000 ] - [ -0.0034777000000000, -0.0004735500000000, -0.0009750700000000 ] - [ 0.0008183200000000, 0.0001362000000000, -0.0001582400000000 ] - [ -0.0021121800000000, 0.0001180200000000, -0.0023571200000000 ] - [ 0.0006792700000000, -0.0005187800000000, -0.0001595000000000 ] - [ -0.0013557600000000, -0.0010113500000000, 0.0054230700000000 ] - [ 0.0011373300000000, -0.0000963000000000, 0.0005542700000000 ] - [ 0.0043184100000000, -0.0049930300000000, 0.0024194200000000 ] - [ 0.0032235300000000, 0.0011349800000000, -0.0003457200000000 ] - [ 0.0008670500000000, 0.0010133300000000, 0.0011066000000000 ] - [ 0.0015024800000000, 0.0004870700000000, 0.0001223300000000 ] - [ -0.0008155600000000, -0.0002443000000000, -0.0000169400000000 ] - [ 0.0008116400000000, 0.0002328300000000, -0.0007230000000000 ] - [ 0.0004734400000000, 0.0005386000000000, 0.0010955700000000 ] - [ 0.0001327700000000, 0.0001022400000000, -0.0005991700000000 ] - [ -0.0021909300000000, -0.0004130100000000, 0.0006540800000000 ] - [ 0.0002804700000000, -0.0003324600000000, -0.0001131500000000 ] - [ -0.0009617100000000, -0.0009620600000000, -0.0008432700000000 ] - [ 0.0013784000000000, -0.0003218300000000, 0.0000834400000000 ] - [ 0.0029023900000000, 0.0049675900000000, 0.0003940700000000 ] - [ 0.0016395000000000, 0.0001898400000000, 0.0002377600000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000726000000000, -0.0005337000000000, -0.0025853700000000 ] - [ 0.0011870900000000, 0.0000298400000000, 0.0005197900000000 ] - [ -0.0022900900000000, 0.0000553600000000, 0.0004875900000000 ] - [ 0.0009629800000000, -0.0000479200000000, 0.0000142200000000 ] - [ -0.0015906000000000, 0.0008896000000000, -0.0006403800000000 ] - [ 0.0007766300000000, -0.0000568100000000, 0.0001052300000000 ] - [ 0.0008073200000000, 0.0000326600000000, 0.0006330800000000 ] - [ 0.0009819300000000, 0.0001230800000000, -0.0007874000000000 ] - [ 0.0009550200000000, -0.0013457200000000, 0.0027188400000000 ] - [ 0.0017916300000000, -0.0002613100000000, -0.0005725000000000 ] - [ -0.0103080100000000, 0.0015071800000000, -0.0005705200000000 ] - [ 0.0018924900000000, 0.0001567100000000, 0.0000406500000000 ] - [ -0.0123476600000000, -0.0040196000000000, -0.0036380400000000 ] - [ 0.0020790800000000, 0.0002808600000000, -0.0005624800000000 ] - [ 0.0004180500000000, -0.0003768700000000, -0.0010210300000000 ] - [ 0.0008596400000000, -0.0000356800000000, 0.0009061900000000 ] - [ 0.0023048200000000, 0.0031695100000000, 0.0020431600000000 ] - [ 0.0016455800000000, -0.0004006500000000, 0.0002573200000000 ] - [ 0.0007925100000000, 0.0002938000000000, 0.0005562800000000 ] - [ 0.0006644300000000, -0.0004883700000000, -0.0006878500000000 ] - [ -0.0047054000000000, -0.0012474600000000, -0.0015158200000000 ] - [ 0.0015384800000000, 0.0001417900000000, -0.0002067700000000 ] - [ -0.0036909500000000, 0.0001496800000000, 0.0002572000000000 ] - [ 0.0016820300000000, 0.0002157600000000, 0.0002114000000000 ] - [ -0.0421896500000000, -0.0020543100000000, -0.0070828000000000 ] - [ 0.0041187400000000, -0.0003255800000000, 0.0004678200000000 ] - [ 0.0085434100000000, -0.0056462900000000, -0.0034355700000000 ] - [ 0.0040113300000000, 0.0009325000000000, 0.0007247300000000 ] - [ -0.0007563200000000, 0.0009989900000000, 0.0002054100000000 ] - [ 0.0008955500000000, 0.0000210400000000, 0.0002347000000000 ] - [ 0.0005883500000000, -0.0014037600000000, 0.0011660000000000 ] - [ 0.0018644700000000, -0.0001583600000000, -0.0000966500000000 ] - [ -0.0036181700000000, -0.0009866200000000, 0.0013700700000000 ] - [ 0.0011335800000000, 0.0000754500000000, -0.0003313700000000 ] - [ 0.0050880500000000, 0.0038103700000000, -0.0024390200000000 ] - [ 0.0061696200000000, -0.0001013000000000, 0.0014685900000000 ] - [ -0.0026337100000000, 0.0000991700000000, -0.0003265600000000 ] - [ 0.0021175900000000, 0.0002404100000000, 0.0000941200000000 ] - [ -0.0062979100000000, -0.0049245400000000, 0.0011152600000000 ] - [ 0.0035586900000000, -0.0000600100000000, -0.0001433500000000 ] - [ 0.0072441400000000, 0.0036507600000000, -0.0048828100000000 ] - [ -0.0014795300000000, 0.0011790300000000, 0.0000161100000000 ] - [ -0.0021756400000000, 0.0011828900000000, 0.0015072800000000 ] - [ -0.0017955800000000, -0.0002503600000000, -0.0000432100000000 ] - [ -0.0011321000000000, 0.0039979300000000, 0.0176213000000000 ] - [ -0.0019275800000000, 0.0003044400000000, -0.0000912300000000 ] - [ 0.0053897800000000, 0.0008926300000000, 0.0007202300000000 ] - [ -0.0018311500000000, -0.0002470800000000, -0.0007309200000000 ] - [ -0.0054151100000000, -0.0018906900000000, 0.0019845500000000 ] - [ -0.0025323700000000, -0.0012245800000000, -0.0005984600000000 ] - [ -0.0008030500000000, -0.0003901000000000, -0.0000852300000000 ] - [ -0.0011743100000000, -0.0003626700000000, -0.0003335900000000 ] - [ -0.0014513300000000, 0.0005046400000000, -0.0003387100000000 ] - [ -0.0013558500000000, 0.0000756000000000, 0.0006061900000000 ] - [ -0.0008892300000000, 0.0071122400000000, 0.0010087800000000 ] - [ -0.0013426900000000, -0.0000987600000000, 0.0002759700000000 ] - [ 0.0018509300000000, 0.0006026200000000, -0.0005008800000000 ] - [ -0.0021118100000000, -0.0004188800000000, -0.0001663200000000 ] - [ 0.0008187000000000, 0.0016110900000000, -0.0004377200000000 ] - [ -0.0007669300000000, 0.0004533900000000, 0.0000625300000000 ] - [ 0.0014853700000000, -0.0013219800000000, -0.0007883600000000 ] - [ -0.0010360400000000, -0.0000586200000000, 0.0000158400000000 ] - [ -0.0001883100000000, -0.0023168300000000, 0.0010113100000000 ] - [ -0.0018775800000000, -0.0001547600000000, 0.0002899800000000 ] - [ 0.0009648800000000, -0.0013765400000000, 0.0002227100000000 ] - [ -0.0008008100000000, -0.0004907000000000, -0.0001741800000000 ] - [ 0.0000963600000000, 0.0005781800000000, -0.0001296600000000 ] - [ -0.0015203200000000, 0.0010531500000000, -0.0002409300000000 ] - [ 0.0594863100000000, 0.0055686800000000, 0.0192492600000000 ] - [ -0.0021530900000000, -0.0005597200000000, 0.0002890800000000 ] - [ 0.0024570400000000, -0.0028714100000000, -0.0018281700000000 ] - [ -0.0002259500000000, -0.0005102400000000, -0.0003634600000000 ] - [ 0.0017653100000000, -0.0048435000000000, -0.0166023000000000 ] - [ -0.0013045300000000, 0.0003376800000000, -0.0001589900000000 ] - [ -0.0018238700000000, -0.0003289500000000, 0.0009698400000000 ] - [ -0.0018188600000000, 0.0007772400000000, -0.0015846300000000 ] - [ 0.0027687900000000, 0.0010505400000000, 0.0010081200000000 ] - [ -0.0015238200000000, 0.0004384800000000, 0.0001858600000000 ] - [ 0.0009451800000000, -0.0017112500000000, 0.0023659600000000 ] - [ -0.0018529600000000, -0.0010665000000000, 0.0001639800000000 ] - [ 0.0009004100000000, 0.0010477700000000, -0.0043877100000000 ] - [ -0.0015805700000000, 0.0001399200000000, 0.0004650300000000 ] - [ -0.0032469900000000, 0.0052738900000000, -0.0027953200000000 ] - [ -0.0021194200000000, -0.0009112900000000, -0.0000017300000000 ] - [ 0.0006045100000000, 0.0000965600000000, -0.0002549300000000 ] - [ -0.0000328600000000, 0.0006213700000000, 0.0007228600000000 ] - [ 0.0003736500000000, 0.0002002200000000, -0.0009945000000000 ] - [ -0.0012567300000000, -0.0002765600000000, -0.0002929600000000 ] - [ -0.0014276600000000, 0.0001378500000000, -0.0011097300000000 ] - [ -0.0010913700000000, 0.0005750700000000, 0.0005840000000000 ] - [ 0.0012307600000000, -0.0002619900000000, -0.0006229500000000 ] - [ -0.0012373800000000, -0.0003439900000000, 0.0001321300000000 ] - [ 0.0019108100000000, 0.0002862900000000, 0.0008199100000000 ] - [ -0.0004183500000000, -0.0003529900000000, -0.0001055000000000 ] - [ -0.0019639700000000, -0.0043419800000000, -0.0003901000000000 ] - [ -0.0006804400000000, 0.0004838700000000, -0.0002177600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002415900000000, 0.0035264000000000, -0.0002353200000000 ] - [ -0.0002188000000000, 0.0002845300000000, 0.0001098300000000 ] - [ 0.0004066300000000, -0.0011469900000000, -0.0005104100000000 ] - [ 0.0000784300000000, -0.0000778500000000, 0.0000341800000000 ] - [ -0.0011161400000000, 0.0006785800000000, 0.0005655100000000 ] - [ -0.0000160300000000, 0.0000160100000000, 0.0000387000000000 ] - [ 0.0003334100000000, -0.0008451700000000, 0.0002373900000000 ] - [ -0.0002171300000000, -0.0007675200000000, -0.0000187800000000 ] - [ -0.0002897900000000, 0.0024625600000000, -0.0003706500000000 ] - [ 0.0001960800000000, 0.0000829300000000, -0.0000068900000000 ] - [ 0.0018992200000000, 0.0089579900000000, -0.0010285800000000 ] - [ -0.0000963700000000, 0.0001993500000000, 0.0001703700000000 ] - [ 0.0049685800000000, 0.0106810200000000, 0.0035122900000000 ] - [ 0.0002285700000000, 0.0003650500000000, -0.0002918200000000 ] - [ -0.0001973600000000, -0.0007204700000000, -0.0002100000000000 ] - [ 0.0001742300000000, -0.0012354600000000, 0.0001724000000000 ] - [ -0.0032030800000000, -0.0043731800000000, -0.0020850600000000 ] - [ 0.0001563100000000, -0.0003569600000000, 0.0003167400000000 ] - [ 0.0003494200000000, -0.0000958200000000, -0.0012276200000000 ] - [ 0.0007013500000000, 0.0000093300000000, -0.0004003500000000 ] - [ -0.0026879500000000, -0.0052206500000000, -0.0006023500000000 ] - [ -0.0002304000000000, -0.0003561100000000, -0.0001923800000000 ] - [ 0.0006668600000000, 0.0031839300000000, 0.0003048100000000 ] - [ 0.0002946900000000, 0.0003219300000000, 0.0002877900000000 ] - [ 0.0031441300000000, 0.0418306600000000, 0.0044036100000000 ] - [ 0.0008719200000000, 0.0001230300000000, 0.0003968100000000 ] - [ 0.0058500500000000, 0.0037346800000000, -0.0026094100000000 ] - [ -0.0009293400000000, 0.0012544200000000, 0.0003939800000000 ] - [ -0.0023717100000000, -0.0014362200000000, 0.0011727600000000 ] - [ -0.0006755900000000, -0.0000240100000000, 0.0003105600000000 ] - [ 0.0003275400000000, -0.0002161200000000, 0.0002681600000000 ] - [ -0.0007035800000000, 0.0000618900000000, 0.0001310400000000 ] - [ -0.0013973500000000, -0.0007797500000000, 0.0003813600000000 ] - [ -0.0009554600000000, -0.0003939500000000, -0.0003074700000000 ] - [ -0.0013057600000000, 0.0019880200000000, 0.0008476900000000 ] - [ 0.0049637400000000, 0.0023536900000000, 0.0008716200000000 ] - [ 0.0014359500000000, -0.0028243400000000, -0.0007092300000000 ] - [ -0.0003731300000000, 0.0000691300000000, -0.0000336300000000 ] - [ 0.0060467500000000, -0.0134824800000000, 0.0012767800000000 ] - [ -0.0000619900000000, -0.0005018800000000, 0.0002961100000000 ] - [ -0.0049315300000000, 0.0061764800000000, -0.0177023100000000 ] - [ -0.0000415400000000, 0.0006573000000000, -0.0001294800000000 ] - [ -0.0008745300000000, -0.0001944100000000, 0.0012724700000000 ] - [ 0.0017119700000000, 0.0002228500000000, 0.0007784000000000 ] - [ -0.0027138700000000, -0.0069647000000000, 0.0051964200000000 ] - [ 0.0006688200000000, -0.0003641800000000, 0.0001176000000000 ] - [ 0.0012433600000000, 0.0101061800000000, -0.0001115900000000 ] - [ 0.0001234000000000, 0.0001964900000000, -0.0005279000000000 ] - [ -0.0003573600000000, -0.0029832200000000, -0.0005971300000000 ] - [ -0.0004332600000000, -0.0021349800000000, 0.0000294400000000 ] - [ -0.0006431300000000, -0.0006315500000000, 0.0000797600000000 ] - [ -0.0001659800000000, -0.0005822300000000, 0.0000671600000000 ] - [ -0.0007252000000000, 0.0000888500000000, -0.0000068800000000 ] - [ 0.0001927300000000, 0.0000643600000000, 0.0000052600000000 ] - [ -0.0058222100000000, 0.0060852100000000, 0.0027922100000000 ] - [ 0.0007536300000000, 0.0004027300000000, -0.0001029600000000 ] - [ -0.0002800000000000, 0.0008621800000000, -0.0003213600000000 ] - [ -0.0004925900000000, -0.0000314600000000, -0.0001624100000000 ] - [ 0.0001771600000000, 0.0010548300000000, 0.0002582300000000 ] - [ 0.0002883600000000, 0.0008780700000000, 0.0000259200000000 ] - [ -0.0010030300000000, 0.0037944000000000, -0.0001283300000000 ] - [ 0.0002638700000000, -0.0000414200000000, -0.0000312700000000 ] - [ 0.0033280000000000, 0.0015330800000000, -0.0014655900000000 ] - [ -0.0007527400000000, -0.0005074300000000, 0.0000984800000000 ] - [ 0.0000046000000000, 0.0009659000000000, -0.0005409000000000 ] - [ 0.0001163700000000, -0.0005606900000000, -0.0000412900000000 ] - [ -0.0006221200000000, 0.0011289300000000, -0.0002264800000000 ] - [ -0.0007114300000000, 0.0009119300000000, -0.0000472900000000 ] - [ -0.0071889400000000, -0.0749344000000000, -0.0066246500000000 ] - [ -0.0007280400000000, -0.0006885500000000, 0.0003831900000000 ] - [ -0.0015793200000000, 0.0051253400000000, -0.0017036000000000 ] - [ 0.0007783300000000, -0.0004029200000000, -0.0003969000000000 ] - [ 0.0073446500000000, -0.0020504600000000, 0.0144603100000000 ] - [ 0.0004162700000000, 0.0006769900000000, -0.0000100800000000 ] - [ -0.0005137900000000, -0.0000263900000000, -0.0008982300000000 ] - [ -0.0016159500000000, -0.0000234900000000, -0.0013278100000000 ] - [ -0.0020076500000000, 0.0009172100000000, 0.0044401200000000 ] - [ -0.0002485300000000, 0.0002613700000000, 0.0000581500000000 ] - [ 0.0009191200000000, -0.0015643500000000, -0.0032769000000000 ] - [ -0.0006040800000000, -0.0008337000000000, 0.0000046500000000 ] - [ -0.0011537600000000, -0.0026841800000000, -0.0008495500000000 ] - [ -0.0000599400000000, -0.0001150200000000, 0.0005564300000000 ] - [ -0.0060432300000000, 0.0027276700000000, -0.0016840800000000 ] - [ 0.0011524800000000, -0.0000200200000000, -0.0003078300000000 ] - [ 0.0011927100000000, 0.0012060200000000, 0.0002579700000000 ] - [ 0.0006679000000000, 0.0006199700000000, 0.0004710100000000 ] - [ -0.0010354200000000, 0.0001364700000000, -0.0003338800000000 ] - [ -0.0000674800000000, 0.0000029200000000, -0.0003132900000000 ] - [ 0.0009502700000000, 0.0001458500000000, 0.0011694300000000 ] - [ -0.0007073300000000, 0.0002721200000000, 0.0001878500000000 ] - [ -0.0006094200000000, -0.0013474700000000, 0.0000527600000000 ] - [ -0.0004584000000000, -0.0003783200000000, 0.0000164300000000 ] - [ 0.0010638300000000, 0.0009617300000000, 0.0000969400000000 ] - [ 0.0004779600000000, -0.0001429200000000, -0.0000651300000000 ] - [ 0.0048736300000000, 0.0043374300000000, 0.0014455900000000 ] - [ 0.0001939500000000, 0.0003573900000000, -0.0000475800000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004350300000000, -0.0034363300000000, 0.0003298800000000 ] - [ 0.0000426400000000, -0.0001903200000000, -0.0000352600000000 ] - [ -0.0002313600000000, 0.0010386000000000, 0.0005674800000000 ] - [ 0.0000934900000000, -0.0000161800000000, 0.0000323500000000 ] - [ 0.0009504000000000, -0.0007563800000000, -0.0006480900000000 ] - [ -0.0001593200000000, -0.0001083300000000, -0.0001095200000000 ] - [ -0.0001675200000000, 0.0009371600000000, -0.0003045200000000 ] - [ 0.0003970100000000, 0.0008636700000000, -0.0000491000000000 ] - [ 0.0003852000000000, -0.0029339000000000, 0.0006004600000000 ] - [ -0.0000772200000000, -0.0005643400000000, 0.0002586500000000 ] - [ -0.0019864900000000, -0.0094295600000000, 0.0017945300000000 ] - [ -0.0000207200000000, 0.0002823400000000, 0.0000912900000000 ] - [ -0.0044715100000000, -0.0098112500000000, -0.0033590600000000 ] - [ -0.0001158200000000, 0.0001185500000000, 0.0000370500000000 ] - [ 0.0000804800000000, 0.0002341100000000, -0.0000554400000000 ] - [ -0.0002919600000000, 0.0007505200000000, -0.0004374700000000 ] - [ 0.0024284000000000, 0.0038887000000000, 0.0027268500000000 ] - [ -0.0009027600000000, -0.0000870200000000, 0.0002880200000000 ] - [ 0.0003961300000000, -0.0003404200000000, 0.0006151400000000 ] - [ 0.0000518700000000, -0.0004493100000000, -0.0001999800000000 ] - [ 0.0019139900000000, 0.0056623100000000, 0.0000290800000000 ] - [ -0.0005227300000000, 0.0007967700000000, -0.0004066900000000 ] - [ 0.0000862900000000, -0.0027459500000000, 0.0002848500000000 ] - [ 0.0004549400000000, 0.0001191500000000, 0.0003118900000000 ] - [ -0.0013004400000000, -0.0420335700000000, -0.0022263500000000 ] - [ 0.0008841700000000, -0.0003683400000000, 0.0002294800000000 ] - [ -0.0054989400000000, -0.0033517400000000, 0.0026258400000000 ] - [ 0.0011861400000000, -0.0007773200000000, -0.0004510300000000 ] - [ 0.0006320300000000, 0.0016784700000000, -0.0005693400000000 ] - [ -0.0010905700000000, 0.0002694100000000, 0.0003097200000000 ] - [ -0.0006028900000000, -0.0002711600000000, -0.0003488500000000 ] - [ 0.0004387000000000, -0.0005464700000000, -0.0001969300000000 ] - [ -0.0003612900000000, 0.0005264000000000, -0.0010600900000000 ] - [ -0.0008044100000000, 0.0001473000000000, -0.0003174900000000 ] - [ 0.0030592700000000, -0.0017030700000000, -0.0014591700000000 ] - [ -0.0032179900000000, -0.0020944400000000, -0.0014943900000000 ] - [ -0.0016907500000000, 0.0033155900000000, 0.0007527500000000 ] - [ 0.0001006900000000, 0.0004122500000000, 0.0000938200000000 ] - [ -0.0057250700000000, 0.0130374400000000, -0.0011021900000000 ] - [ 0.0003274300000000, 0.0000202700000000, -0.0002307600000000 ] - [ 0.0046926600000000, -0.0047270900000000, 0.0174181100000000 ] - [ -0.0001703000000000, 0.0008333800000000, -0.0000005800000000 ] - [ 0.0012972700000000, 0.0001695100000000, -0.0002676900000000 ] - [ -0.0012581700000000, -0.0002591200000000, 0.0002336400000000 ] - [ 0.0037235700000000, 0.0068280200000000, -0.0047613000000000 ] - [ 0.0004342200000000, 0.0001455400000000, 0.0002221900000000 ] - [ -0.0008117300000000, -0.0100110700000000, -0.0009573500000000 ] - [ 0.0003167900000000, -0.0001544000000000, -0.0004876400000000 ] - [ 0.0001187400000000, 0.0014805000000000, 0.0007176800000000 ] - [ 0.0002279200000000, 0.0006429500000000, 0.0001011500000000 ] - [ -0.0000668000000000, 0.0000486600000000, -0.0000942700000000 ] - [ -0.0005408400000000, 0.0000025200000000, -0.0000869800000000 ] - [ -0.0003662500000000, 0.0001299700000000, 0.0003503600000000 ] - [ -0.0012970500000000, 0.0001547800000000, 0.0003378300000000 ] - [ 0.0066161400000000, -0.0055155600000000, -0.0028628200000000 ] - [ -0.0000424600000000, 0.0001802600000000, 0.0000750200000000 ] - [ -0.0008270300000000, -0.0010823000000000, -0.0000041600000000 ] - [ -0.0006031600000000, -0.0001848100000000, -0.0001762600000000 ] - [ 0.0000374700000000, 0.0004451700000000, -0.0001120200000000 ] - [ -0.0000761800000000, 0.0006121200000000, 0.0001071400000000 ] - [ 0.0017098400000000, -0.0043712900000000, 0.0001393200000000 ] - [ 0.0004456700000000, -0.0005386000000000, 0.0000574200000000 ] - [ -0.0021234100000000, -0.0031326000000000, 0.0014428400000000 ] - [ 0.0019342800000000, -0.0010867000000000, -0.0001046800000000 ] - [ 0.0001967000000000, -0.0024598400000000, 0.0004253100000000 ] - [ 0.0000992200000000, -0.0009300600000000, -0.0000873500000000 ] - [ -0.0005515600000000, 0.0004584400000000, 0.0002415500000000 ] - [ -0.0004689900000000, 0.0006800200000000, 0.0000452300000000 ] - [ 0.0053174400000000, 0.0742940300000000, 0.0049209400000000 ] - [ -0.0007393900000000, -0.0004192600000000, 0.0004647500000000 ] - [ 0.0030814200000000, -0.0062550600000000, 0.0009022800000000 ] - [ 0.0006912300000000, -0.0007052000000000, -0.0004501800000000 ] - [ -0.0061779500000000, 0.0037314800000000, -0.0144452000000000 ] - [ 0.0007638200000000, 0.0009138700000000, 0.0000144200000000 ] - [ -0.0009603100000000, 0.0011229500000000, 0.0000486800000000 ] - [ 0.0001515300000000, 0.0011260100000000, 0.0004789400000000 ] - [ 0.0012831600000000, -0.0003457900000000, -0.0043977900000000 ] - [ -0.0004579500000000, 0.0003187800000000, -0.0000339700000000 ] - [ -0.0021201700000000, -0.0000090200000000, 0.0033026900000000 ] - [ -0.0005738500000000, -0.0007578300000000, -0.0000005000000000 ] - [ 0.0007144600000000, 0.0027333900000000, 0.0018689300000000 ] - [ -0.0003801500000000, 0.0001585400000000, 0.0004571200000000 ] - [ 0.0070967100000000, -0.0025188100000000, 0.0013266000000000 ] - [ -0.0000517000000000, 0.0002332700000000, -0.0000350800000000 ] - [ 0.0002761400000000, -0.0000942000000000, 0.0006051800000000 ] - [ 0.0008028100000000, 0.0004887100000000, 0.0003813100000000 ] - [ 0.0005903400000000, -0.0001836200000000, -0.0006712300000000 ] - [ -0.0003688700000000, -0.0000457700000000, -0.0006960500000000 ] - [ -0.0018891000000000, 0.0005245900000000, -0.0011766100000000 ] - [ -0.0002519100000000, 0.0004014600000000, -0.0002074300000000 ] - [ -0.0003491400000000, 0.0006696600000000, -0.0000153400000000 ] - [ -0.0005002600000000, -0.0002982000000000, 0.0000020800000000 ] - [ -0.0001052000000000, -0.0016350700000000, -0.0001264600000000 ] - [ 0.0004822900000000, -0.0005315200000000, 0.0000474900000000 ] - [ -0.0039727700000000, -0.0036784900000000, -0.0014559000000000 ] - [ 0.0007663600000000, 0.0003191000000000, 0.0000612800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0031211100000000, -0.0004011600000000, 0.0023984500000000 ] - [ -0.0005350600000000, 0.0001354700000000, 0.0006065900000000 ] - [ 0.0005845600000000, -0.0016804800000000, -0.0029334900000000 ] - [ -0.0000269600000000, -0.0000612100000000, -0.0002499900000000 ] - [ 0.0013889200000000, 0.0012355300000000, -0.0033406900000000 ] - [ -0.0003291000000000, -0.0000295700000000, -0.0003729600000000 ] - [ -0.0006608900000000, -0.0002332400000000, 0.0008638300000000 ] - [ 0.0004850300000000, 0.0001984200000000, 0.0006815800000000 ] - [ -0.0036556500000000, 0.0007657700000000, -0.0059275100000000 ] - [ 0.0003947300000000, -0.0000500500000000, -0.0013227200000000 ] - [ -0.0008304200000000, -0.0003878200000000, 0.0095744800000000 ] - [ -0.0003016500000000, 0.0002619400000000, 0.0007535200000000 ] - [ 0.0032476200000000, 0.0029453200000000, 0.0106142000000000 ] - [ 0.0000314900000000, 0.0002026000000000, 0.0005727500000000 ] - [ 0.0001956800000000, -0.0005511800000000, -0.0018673000000000 ] - [ -0.0010151700000000, -0.0004230900000000, -0.0021212200000000 ] - [ -0.0060232900000000, -0.0054325800000000, 0.0055234600000000 ] - [ 0.0006128400000000, -0.0004416800000000, 0.0008659400000000 ] - [ -0.0005534600000000, -0.0004298000000000, -0.0018749700000000 ] - [ 0.0010383300000000, -0.0000704400000000, -0.0010057300000000 ] - [ 0.0002319600000000, -0.0002489800000000, 0.0019463300000000 ] - [ -0.0007516200000000, 0.0002169500000000, -0.0001127500000000 ] - [ 0.0016429900000000, 0.0003878200000000, -0.0072693600000000 ] - [ 0.0001642500000000, 0.0001635000000000, 0.0001207200000000 ] - [ 0.0124221900000000, 0.0038531600000000, 0.2948886000000000 ] - [ 0.0004772300000000, 0.0000466900000000, 0.0006785100000000 ] - [ 0.0118616500000000, -0.0059920700000000, 0.0118259400000000 ] - [ -0.0015402300000000, 0.0007568300000000, 0.0015275000000000 ] - [ 0.0039019900000000, 0.0023876000000000, -0.0038366000000000 ] - [ -0.0026059600000000, 0.0003439500000000, -0.0005278100000000 ] - [ -0.0057295600000000, 0.0020165500000000, -0.0052187500000000 ] - [ 0.0007514200000000, -0.0008433900000000, -0.0011753100000000 ] - [ -0.0013695300000000, 0.0001489800000000, -0.0054806300000000 ] - [ -0.0009906200000000, -0.0000624400000000, -0.0005002300000000 ] - [ 0.0014964200000000, 0.0019189700000000, 0.0018275800000000 ] - [ -0.0009875600000000, 0.0000820600000000, 0.0012751400000000 ] - [ 0.0032092400000000, -0.0027776600000000, -0.0054258000000000 ] - [ -0.0009601500000000, 0.0002915200000000, -0.0002797400000000 ] - [ -0.0033118800000000, 0.0101176900000000, 0.0127784400000000 ] - [ 0.0000490100000000, -0.0003362200000000, 0.0003994700000000 ] - [ 0.0056836200000000, -0.0144643600000000, 0.0117813800000000 ] - [ 0.0000008100000000, 0.0006831700000000, -0.0001140600000000 ] - [ -0.0028433000000000, 0.0015118500000000, -0.0001754100000000 ] - [ 0.0033440500000000, 0.0003577600000000, 0.0000006400000000 ] - [ -0.0165751900000000, 0.0068564800000000, 0.0144069000000000 ] - [ 0.0012130200000000, -0.0003324100000000, 0.0000337800000000 ] - [ -0.0013918300000000, -0.0018803600000000, -0.0068856700000000 ] - [ 0.0004110400000000, 0.0000482800000000, -0.0007496200000000 ] - [ -0.0012574300000000, -0.0019428100000000, -0.0034266000000000 ] - [ 0.0001467400000000, -0.0007317000000000, -0.0010048800000000 ] - [ 0.0012806700000000, 0.0000850900000000, 0.0028853000000000 ] - [ -0.0000508400000000, -0.0001662400000000, 0.0011058200000000 ] - [ 0.0017024100000000, -0.0005729800000000, 0.0006961400000000 ] - [ -0.0024459700000000, 0.0001800600000000, 0.0008937400000000 ] - [ 0.0005282200000000, 0.0018675300000000, -0.0054664200000000 ] - [ 0.0008490200000000, 0.0004169000000000, -0.0007099800000000 ] - [ -0.0007764600000000, 0.0006498900000000, 0.0027559300000000 ] - [ -0.0002353900000000, -0.0000513800000000, 0.0000038500000000 ] - [ 0.0005844900000000, -0.0000104800000000, 0.0030479300000000 ] - [ -0.0000298600000000, 0.0006918300000000, 0.0004645900000000 ] - [ 0.0020134200000000, -0.0004775900000000, -0.0013932800000000 ] - [ 0.0000977000000000, -0.0000748600000000, 0.0000426000000000 ] - [ 0.0013602000000000, -0.0005335100000000, -0.0031803500000000 ] - [ 0.0012014700000000, -0.0009510300000000, -0.0005833000000000 ] - [ -0.0014503700000000, -0.0007603300000000, 0.0011296400000000 ] - [ 0.0006817900000000, -0.0009076000000000, 0.0000647800000000 ] - [ 0.0001480600000000, 0.0004543500000000, 0.0020855600000000 ] - [ -0.0006386400000000, 0.0008808900000000, 0.0005058700000000 ] - [ -0.0201046500000000, -0.0062655700000000, -0.3748841000000000 ] - [ -0.0006002400000000, -0.0005942200000000, 0.0000435900000000 ] - [ 0.0021353500000000, 0.0007539000000000, 0.0032657000000000 ] - [ 0.0006752000000000, -0.0005808600000000, -0.0005731900000000 ] - [ 0.0116390400000000, 0.0089569700000000, 0.0164226200000000 ] - [ 0.0004020900000000, 0.0006633200000000, 0.0000747900000000 ] - [ -0.0018902000000000, -0.0003479400000000, -0.0005761300000000 ] - [ 0.0006622000000000, 0.0000820000000000, -0.0005743100000000 ] - [ -0.0035289700000000, 0.0046883200000000, 0.0076968200000000 ] - [ -0.0000113200000000, 0.0002272900000000, -0.0000581500000000 ] - [ -0.0048198800000000, -0.0040058300000000, 0.0061381500000000 ] - [ 0.0000420200000000, -0.0006895500000000, -0.0000636500000000 ] - [ 0.0055321800000000, -0.0024918800000000, 0.0111052600000000 ] - [ -0.0003134500000000, 0.0001334900000000, 0.0005464300000000 ] - [ 0.0021695300000000, -0.0000278300000000, -0.0039762700000000 ] - [ 0.0006447200000000, -0.0000214300000000, -0.0006375400000000 ] - [ 0.0000501700000000, 0.0007253400000000, 0.0043089900000000 ] - [ 0.0010350600000000, 0.0005086200000000, 0.0013137500000000 ] - [ -0.0018338100000000, -0.0004032300000000, 0.0023856600000000 ] - [ 0.0004033400000000, 0.0000931700000000, 0.0001252500000000 ] - [ 0.0016544700000000, 0.0003563700000000, 0.0010871000000000 ] - [ -0.0012304700000000, 0.0004830500000000, 0.0001482700000000 ] - [ -0.0010506700000000, -0.0004250400000000, 0.0048318600000000 ] - [ -0.0003933800000000, -0.0003384700000000, 0.0002440000000000 ] - [ -0.0005254500000000, -0.0002346400000000, -0.0004535100000000 ] - [ 0.0007827300000000, -0.0002970700000000, 0.0000401500000000 ] - [ -0.0005725200000000, -0.0002043600000000, -0.0045533500000000 ] - [ 0.0003655100000000, 0.0004054100000000, -0.0005225500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0033783400000000, 0.0005028300000000, -0.0022702100000000 ] - [ 0.0003624600000000, -0.0000431900000000, -0.0005328700000000 ] - [ -0.0004109000000000, 0.0015923700000000, 0.0030049000000000 ] - [ 0.0002012600000000, -0.0000339500000000, 0.0003181600000000 ] - [ -0.0015706200000000, -0.0013354000000000, 0.0032753100000000 ] - [ 0.0001584500000000, -0.0000627400000000, 0.0003041800000000 ] - [ 0.0008385900000000, 0.0003245000000000, -0.0009241300000000 ] - [ -0.0003130900000000, -0.0001046600000000, -0.0007439700000000 ] - [ 0.0037926000000000, -0.0012529500000000, 0.0061969600000000 ] - [ -0.0002852900000000, -0.0004330400000000, 0.0015774600000000 ] - [ 0.0007190000000000, 0.0006394400000000, -0.0092161100000000 ] - [ 0.0001874200000000, 0.0002213900000000, -0.0004912500000000 ] - [ -0.0028739500000000, -0.0021420000000000, -0.0106783900000000 ] - [ 0.0000820700000000, 0.0002800900000000, -0.0008257100000000 ] - [ -0.0003145200000000, 0.0000692300000000, 0.0016029400000000 ] - [ 0.0009072700000000, -0.0000584800000000, 0.0018597900000000 ] - [ 0.0052851600000000, 0.0050089000000000, -0.0049752800000000 ] - [ -0.0013627200000000, 0.0000003100000000, -0.0002691000000000 ] - [ 0.0012997800000000, -0.0000150600000000, 0.0012770000000000 ] - [ -0.0002819600000000, -0.0003710800000000, 0.0004098800000000 ] - [ -0.0009852800000000, 0.0006764900000000, -0.0025697800000000 ] - [ -0.0000010100000000, 0.0002262200000000, -0.0004904600000000 ] - [ -0.0008872400000000, 0.0000539200000000, 0.0078558100000000 ] - [ 0.0005870200000000, 0.0002770400000000, 0.0004811000000000 ] - [ -0.0116579000000000, -0.0043580000000000, -0.3139856900000000 ] - [ 0.0012836400000000, -0.0002935300000000, -0.0000571900000000 ] - [ -0.0115907200000000, 0.0064936700000000, -0.0120303100000000 ] - [ 0.0018049900000000, -0.0002797600000000, -0.0016029600000000 ] - [ -0.0056511400000000, -0.0021369200000000, 0.0044705900000000 ] - [ 0.0008413600000000, -0.0000969500000000, 0.0011521700000000 ] - [ 0.0054469800000000, -0.0024914000000000, 0.0051643000000000 ] - [ -0.0010125300000000, 0.0003606000000000, 0.0011165000000000 ] - [ -0.0003978300000000, -0.0003903400000000, 0.0048713900000000 ] - [ -0.0007672700000000, -0.0001834500000000, -0.0001187200000000 ] - [ 0.0002799300000000, -0.0016606000000000, -0.0024759000000000 ] - [ 0.0027233200000000, 0.0001562100000000, -0.0019221600000000 ] - [ -0.0034671300000000, 0.0032532800000000, 0.0054974900000000 ] - [ 0.0006928400000000, 0.0001920100000000, 0.0003454500000000 ] - [ 0.0035837700000000, -0.0106076100000000, -0.0128417500000000 ] - [ 0.0002209500000000, -0.0001458500000000, -0.0003407000000000 ] - [ -0.0059686200000000, 0.0161721700000000, -0.0120960700000000 ] - [ -0.0002140400000000, 0.0008076900000000, -0.0000110500000000 ] - [ 0.0032967400000000, -0.0015631700000000, 0.0012068800000000 ] - [ -0.0029160000000000, -0.0004013400000000, 0.0010244900000000 ] - [ 0.0179251100000000, -0.0071647100000000, -0.0142860400000000 ] - [ -0.0001160500000000, 0.0001156800000000, 0.0003133200000000 ] - [ 0.0018362600000000, 0.0018953500000000, 0.0058944200000000 ] - [ 0.0000302800000000, -0.0000059600000000, -0.0002628400000000 ] - [ 0.0010127700000000, 0.0004484800000000, 0.0035854900000000 ] - [ -0.0003496000000000, -0.0007545500000000, 0.0011404300000000 ] - [ -0.0019755900000000, -0.0006597100000000, -0.0029043200000000 ] - [ -0.0006625200000000, -0.0004131200000000, -0.0011323900000000 ] - [ -0.0027910700000000, 0.0007848200000000, -0.0003575000000000 ] - [ 0.0013435400000000, 0.0000369200000000, -0.0005544900000000 ] - [ 0.0001290800000000, -0.0012382100000000, 0.0054794500000000 ] - [ -0.0001407700000000, 0.0001617000000000, 0.0006905000000000 ] - [ -0.0003171700000000, -0.0008611000000000, -0.0030991500000000 ] - [ -0.0008614300000000, -0.0001649300000000, -0.0003462900000000 ] - [ -0.0003692100000000, 0.0014905200000000, -0.0029174700000000 ] - [ 0.0002398000000000, 0.0007971800000000, -0.0003358700000000 ] - [ -0.0013152400000000, -0.0000989800000000, 0.0014417300000000 ] - [ 0.0006112700000000, -0.0005050600000000, -0.0000141800000000 ] - [ -0.0001945400000000, -0.0010588700000000, 0.0031788200000000 ] - [ -0.0000131300000000, -0.0006400300000000, 0.0005817400000000 ] - [ 0.0016585000000000, -0.0007284900000000, -0.0012644900000000 ] - [ -0.0004695700000000, -0.0005818000000000, -0.0001944700000000 ] - [ -0.0013226900000000, 0.0011357700000000, -0.0020875700000000 ] - [ -0.0005434200000000, 0.0007095300000000, -0.0005089800000000 ] - [ 0.0193888700000000, 0.0052962200000000, 0.3956077300000000 ] - [ -0.0008693400000000, -0.0005127200000000, 0.0008078000000000 ] - [ -0.0006729000000000, -0.0018499900000000, -0.0041233000000000 ] - [ 0.0007933200000000, -0.0005272300000000, -0.0002789000000000 ] - [ -0.0106158200000000, -0.0074977500000000, -0.0166140400000000 ] - [ 0.0007765100000000, 0.0009261700000000, -0.0000699000000000 ] - [ 0.0004246800000000, 0.0014573500000000, -0.0002641600000000 ] - [ -0.0021349600000000, 0.0010287500000000, -0.0002617900000000 ] - [ 0.0028046000000000, -0.0040675400000000, -0.0076243500000000 ] - [ -0.0006953400000000, 0.0003511100000000, 0.0000807700000000 ] - [ 0.0036171500000000, 0.0023866600000000, -0.0061055100000000 ] - [ -0.0012193800000000, -0.0009001900000000, 0.0000644300000000 ] - [ -0.0059066800000000, 0.0025125500000000, -0.0099868000000000 ] - [ -0.0001300000000000, -0.0000899600000000, 0.0004654600000000 ] - [ -0.0010312100000000, 0.0002124600000000, 0.0036712300000000 ] - [ 0.0004440400000000, 0.0002351000000000, 0.0002981400000000 ] - [ 0.0014124500000000, 0.0003767900000000, -0.0034594200000000 ] - [ 0.0004374100000000, 0.0005986800000000, -0.0004625200000000 ] - [ 0.0013840100000000, 0.0003633900000000, -0.0033983400000000 ] - [ -0.0008425000000000, -0.0001349900000000, -0.0011359500000000 ] - [ -0.0026102100000000, 0.0003196600000000, -0.0011103200000000 ] - [ 0.0002701300000000, 0.0001924200000000, -0.0001722200000000 ] - [ 0.0000897100000000, -0.0002515500000000, -0.0048133000000000 ] - [ -0.0005655100000000, -0.0003377700000000, -0.0002225600000000 ] - [ 0.0014887600000000, -0.0004387100000000, 0.0004494100000000 ] - [ 0.0001752300000000, -0.0003785200000000, -0.0000565800000000 ] - [ 0.0015642300000000, 0.0009122400000000, 0.0045888800000000 ] - [ 0.0005906300000000, 0.0002700700000000, 0.0005433100000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009796000000000, 0.0000015500000000, -0.0000922800000000 ] - [ 0.0025587600000000, 0.0002439800000000, 0.0007432800000000 ] - [ -0.0001079300000000, 0.0000254200000000, 0.0002753600000000 ] - [ -0.0001429600000000, -0.0001543200000000, -0.0002928100000000 ] - [ 0.0002456000000000, -0.0003123100000000, 0.0005363200000000 ] - [ -0.0007639700000000, 0.0000004300000000, -0.0002760300000000 ] - [ 0.0029519300000000, -0.0003752500000000, 0.0004092500000000 ] - [ -0.0006859400000000, 0.0000226100000000, -0.0000180500000000 ] - [ -0.0011727300000000, -0.0002139500000000, 0.0002573700000000 ] - [ 0.0018315100000000, 0.0012668000000000, -0.0012971600000000 ] - [ -0.0009366900000000, 0.0002017100000000, -0.0011599900000000 ] - [ -0.0011132300000000, 0.0002774700000000, 0.0010523500000000 ] - [ 0.0037358200000000, -0.0004283500000000, -0.0019480800000000 ] - [ -0.0020805400000000, 0.0001046800000000, 0.0009237800000000 ] - [ 0.0033815900000000, -0.0008013000000000, -0.0004755200000000 ] - [ -0.0013869000000000, -0.0003008300000000, -0.0001922600000000 ] - [ -0.0012974800000000, -0.0001747200000000, 0.0000633600000000 ] - [ 0.0005994700000000, -0.0004393900000000, 0.0006595400000000 ] - [ 0.0234765000000000, -0.0008082100000000, -0.0022227000000000 ] - [ -0.0010470100000000, -0.0001903000000000, -0.0003648200000000 ] - [ 0.0002084900000000, 0.0005715200000000, -0.0007652500000000 ] - [ -0.0011666700000000, 0.0002278900000000, -0.0001949300000000 ] - [ -0.0016925000000000, 0.0001019100000000, 0.0013466300000000 ] - [ -0.0014431900000000, 0.0021036300000000, -0.0004029100000000 ] - [ 0.0010028300000000, -0.0003334400000000, -0.0016968500000000 ] - [ 0.0002257500000000, 0.0003641600000000, 0.0010092500000000 ] - [ 0.0024289000000000, 0.0005398100000000, -0.0005535300000000 ] - [ -0.0015938600000000, 0.0001854400000000, 0.0001292600000000 ] - [ -0.0033414400000000, 0.0001888400000000, 0.0007760300000000 ] - [ 0.0031381700000000, -0.0020458400000000, -0.0013926000000000 ] - [ 0.0068984500000000, -0.0027452900000000, 0.0021660600000000 ] - [ -0.0026920900000000, -0.0001640900000000, -0.0002332000000000 ] - [ -0.0018768000000000, 0.0022216900000000, 0.0026268600000000 ] - [ -0.0036332600000000, -0.0006178900000000, -0.0005949500000000 ] - [ 0.0056091800000000, -0.0003035300000000, -0.0002073300000000 ] - [ -0.0009750100000000, 0.0000580600000000, -0.0002148600000000 ] - [ -0.0027531400000000, 0.0010093800000000, 0.0011436100000000 ] - [ -0.0073069300000000, -0.0044906200000000, -0.0027478000000000 ] - [ -0.0016222900000000, -0.0004084400000000, -0.0006441200000000 ] - [ -0.0002978600000000, -0.0008182900000000, 0.0006203100000000 ] - [ 0.0002091100000000, 0.0006923200000000, 0.0002836600000000 ] - [ 0.0001826200000000, 0.0005960100000000, -0.0000580800000000 ] - [ -0.0011590900000000, 0.0001344400000000, 0.0008513800000000 ] - [ 0.0012512000000000, -0.0001517800000000, 0.0003724500000000 ] - [ -0.0004464700000000, 0.0000122400000000, 0.0004011700000000 ] - [ 0.0014840500000000, -0.0003456900000000, 0.0000850400000000 ] - [ 0.0008289600000000, -0.0004678600000000, 0.0007786300000000 ] - [ 0.0007617600000000, 0.0002174000000000, -0.0009363200000000 ] - [ -0.0020436300000000, -0.0009928000000000, 0.0003368700000000 ] - [ 0.0006941500000000, -0.0005342900000000, 0.0000319000000000 ] - [ -0.0061702200000000, 0.0009781400000000, -0.0032551700000000 ] - [ 0.0007665600000000, -0.0001173600000000, 0.0002340200000000 ] - [ -0.0046296900000000, 0.0005053600000000, 0.0006514800000000 ] - [ 0.0013242100000000, -0.0002314400000000, 0.0001110800000000 ] - [ -0.0007605300000000, -0.0000935400000000, 0.0005714100000000 ] - [ 0.0011914100000000, 0.0004229500000000, -0.0003007800000000 ] - [ 0.0004522800000000, -0.0001258200000000, -0.0008421500000000 ] - [ 0.0017291500000000, 0.0010909700000000, 0.0003582100000000 ] - [ -0.0011751600000000, -0.0000688000000000, -0.0008672600000000 ] - [ 0.0011497500000000, 0.0011524100000000, 0.0001815200000000 ] - [ 0.0011567000000000, -0.0004097200000000, 0.0003068700000000 ] - [ -0.0001874200000000, 0.0001795900000000, -0.0001247600000000 ] - [ -0.0019109100000000, -0.0009011000000000, 0.0024576000000000 ] - [ 0.0016811300000000, -0.0009867200000000, -0.0003582600000000 ] - [ 0.0012273900000000, -0.0011812400000000, -0.0001916900000000 ] - [ 0.0012543500000000, 0.0042734500000000, 0.0011826600000000 ] - [ -0.0025403300000000, -0.0037509400000000, -0.0091629300000000 ] - [ 0.0009033200000000, 0.0004631900000000, 0.0003183800000000 ] - [ 0.0002112000000000, 0.0008542200000000, 0.0025453900000000 ] - [ -0.0001243800000000, -0.0007826100000000, -0.0003283400000000 ] - [ 0.0031641400000000, -0.0049508700000000, -0.0014798000000000 ] - [ 0.0018941800000000, -0.0002664100000000, -0.0005356800000000 ] - [ 0.0011928700000000, 0.0010302700000000, 0.0005156700000000 ] - [ 0.0003725800000000, 0.0006508700000000, -0.0000415100000000 ] - [ -0.0024472400000000, 0.0006820900000000, 0.0001403500000000 ] - [ 0.0000225000000000, 0.0005324600000000, -0.0005098700000000 ] - [ 0.0017987600000000, -0.0000689200000000, -0.0011645200000000 ] - [ 0.0045348700000000, 0.0000464000000000, 0.0007648100000000 ] - [ 0.0012286600000000, -0.0002318000000000, -0.0003157200000000 ] - [ -0.0003541700000000, -0.0014496000000000, 0.0003881100000000 ] - [ 0.0026485300000000, 0.0055512100000000, -0.0016690600000000 ] - [ 0.0014755300000000, -0.0006277700000000, 0.0006425200000000 ] - [ 0.0018705500000000, 0.0003284400000000, -0.0000051900000000 ] - [ -0.0003852300000000, 0.0003515400000000, -0.0024218300000000 ] - [ 0.0016332900000000, 0.0005509600000000, 0.0001200300000000 ] - [ -0.0007064500000000, 0.0011405400000000, 0.0014301700000000 ] - [ 0.0013202800000000, 0.0000899300000000, -0.0009894900000000 ] - [ 0.0031397200000000, 0.0025338500000000, 0.0119993500000000 ] - [ -0.0384809000000000, 0.0009654200000000, 0.0010112900000000 ] - [ 0.0003774900000000, 0.0003286100000000, 0.0000787300000000 ] - [ 0.0000149900000000, -0.0002612300000000, -0.0007357900000000 ] - [ 0.0000103200000000, -0.0008964500000000, 0.0006853900000000 ] - [ 0.0000633100000000, -0.0004433700000000, 0.0000161000000000 ] - [ 0.0009494300000000, -0.0003237300000000, -0.0000215200000000 ] - [ 0.0011520100000000, 0.0003660200000000, 0.0002439600000000 ] - [ 0.0000156100000000, 0.0003499100000000, -0.0005311300000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008104700000000, 0.0000903000000000, 0.0001593500000000 ] - [ -0.0025883400000000, -0.0002645200000000, -0.0007847500000000 ] - [ 0.0002713900000000, -0.0001161100000000, -0.0002075000000000 ] - [ 0.0003166900000000, 0.0000605900000000, 0.0003604000000000 ] - [ -0.0004276300000000, 0.0002223500000000, -0.0005931500000000 ] - [ 0.0005941500000000, -0.0000925700000000, 0.0002063600000000 ] - [ -0.0027773400000000, 0.0004851900000000, -0.0004948800000000 ] - [ 0.0008581900000000, 0.0000697300000000, -0.0000489800000000 ] - [ 0.0012851600000000, -0.0002690100000000, 0.0000016300000000 ] - [ -0.0016920100000000, -0.0017515900000000, 0.0015712300000000 ] - [ 0.0008177700000000, 0.0002837800000000, 0.0014180900000000 ] - [ 0.0010029000000000, 0.0002058800000000, -0.0007936100000000 ] - [ -0.0041312900000000, 0.0009243500000000, 0.0014198000000000 ] - [ 0.0021901300000000, 0.0003767000000000, -0.0011756100000000 ] - [ -0.0034851900000000, 0.0003237400000000, 0.0002333500000000 ] - [ 0.0012718800000000, -0.0001835400000000, -0.0000663100000000 ] - [ 0.0005462300000000, -0.0002670400000000, 0.0005386300000000 ] - [ -0.0013477400000000, -0.0000024200000000, -0.0000581700000000 ] - [ -0.0227105200000000, 0.0003567300000000, 0.0014000800000000 ] - [ 0.0017983600000000, -0.0002516400000000, -0.0002369500000000 ] - [ -0.0009725200000000, -0.0001326900000000, 0.0001729300000000 ] - [ 0.0004174000000000, 0.0002126100000000, -0.0004048500000000 ] - [ 0.0024441600000000, 0.0003435700000000, -0.0007580100000000 ] - [ 0.0021952000000000, -0.0016468800000000, 0.0009941300000000 ] - [ 0.0007439000000000, 0.0000881500000000, 0.0023460600000000 ] - [ 0.0015397900000000, -0.0006098600000000, -0.0003788200000000 ] - [ -0.0021746100000000, -0.0000625200000000, 0.0004968100000000 ] - [ 0.0018648700000000, 0.0002952000000000, -0.0001900700000000 ] - [ 0.0015827800000000, 0.0000584900000000, -0.0001535600000000 ] - [ -0.0048572200000000, 0.0022894600000000, 0.0020096200000000 ] - [ -0.0072469600000000, 0.0022026300000000, -0.0022788400000000 ] - [ 0.0024243900000000, -0.0003158000000000, 0.0001674900000000 ] - [ 0.0000547600000000, -0.0024400600000000, -0.0033009700000000 ] - [ 0.0018787300000000, 0.0003697300000000, -0.0000347500000000 ] - [ -0.0038510000000000, 0.0005553200000000, -0.0004127900000000 ] - [ 0.0027355600000000, 0.0001883700000000, -0.0004093400000000 ] - [ 0.0024798300000000, -0.0005438400000000, -0.0010987400000000 ] - [ 0.0070437000000000, 0.0049338600000000, 0.0027458900000000 ] - [ 0.0018934500000000, -0.0000709300000000, 0.0007168200000000 ] - [ 0.0005723800000000, 0.0003355800000000, -0.0005530800000000 ] - [ -0.0004185700000000, 0.0007975800000000, -0.0004189900000000 ] - [ -0.0003982500000000, 0.0008955900000000, -0.0000721000000000 ] - [ 0.0016037100000000, -0.0001770400000000, 0.0001574300000000 ] - [ -0.0008087300000000, 0.0001085100000000, 0.0006436700000000 ] - [ 0.0015541500000000, -0.0002308000000000, -0.0000681200000000 ] - [ -0.0003912700000000, 0.0001288700000000, 0.0002548200000000 ] - [ -0.0003845500000000, 0.0005217800000000, -0.0018060600000000 ] - [ -0.0003213900000000, -0.0001739400000000, -0.0000821800000000 ] - [ 0.0018376300000000, -0.0004960900000000, -0.0002034900000000 ] - [ -0.0009072400000000, -0.0009590400000000, 0.0000955800000000 ] - [ 0.0055113200000000, -0.0014718000000000, 0.0031323300000000 ] - [ -0.0014737700000000, -0.0004580700000000, -0.0002597000000000 ] - [ 0.0035231500000000, -0.0002711300000000, -0.0003070700000000 ] - [ -0.0024224400000000, 0.0004462900000000, 0.0002308300000000 ] - [ 0.0014742800000000, 0.0006697400000000, -0.0006011200000000 ] - [ -0.0004873500000000, 0.0001520200000000, 0.0002744900000000 ] - [ -0.0015273700000000, -0.0000872700000000, 0.0005094200000000 ] - [ -0.0028369100000000, -0.0013047900000000, -0.0006942600000000 ] - [ 0.0014041900000000, 0.0015605500000000, 0.0010105900000000 ] - [ -0.0009402600000000, 0.0003367300000000, -0.0000511500000000 ] - [ -0.0004509000000000, -0.0001660100000000, -0.0002828800000000 ] - [ 0.0008886600000000, -0.0007535800000000, 0.0001486000000000 ] - [ 0.0031069300000000, -0.0006840000000000, -0.0024679200000000 ] - [ -0.0005061400000000, -0.0005998100000000, 0.0003522400000000 ] - [ -0.0010148100000000, -0.0003089700000000, 0.0000666500000000 ] - [ -0.0010458700000000, -0.0057141100000000, -0.0012975000000000 ] - [ 0.0014517600000000, 0.0053214000000000, 0.0091486500000000 ] - [ -0.0020814700000000, 0.0011245000000000, -0.0003222100000000 ] - [ -0.0016869700000000, -0.0019855000000000, -0.0017199900000000 ] - [ -0.0013455900000000, -0.0003269600000000, 0.0011719100000000 ] - [ -0.0017043100000000, 0.0038949800000000, 0.0006561800000000 ] - [ -0.0004269500000000, -0.0008390600000000, -0.0003099500000000 ] - [ -0.0000158000000000, 0.0005555800000000, -0.0005170100000000 ] - [ 0.0007970900000000, 0.0009343800000000, 0.0000416600000000 ] - [ 0.0009753800000000, 0.0004219500000000, -0.0010006500000000 ] - [ -0.0014915300000000, 0.0005747300000000, -0.0003377000000000 ] - [ -0.0025175700000000, 0.0006479400000000, 0.0012090900000000 ] - [ -0.0051827800000000, 0.0005294400000000, -0.0007180100000000 ] - [ -0.0024070100000000, -0.0013568100000000, 0.0003222700000000 ] - [ -0.0008311700000000, -0.0001457800000000, -0.0003776700000000 ] - [ -0.0031200000000000, -0.0055950800000000, 0.0027184400000000 ] - [ -0.0019201700000000, 0.0006672700000000, 0.0003732800000000 ] - [ -0.0007763600000000, -0.0001118900000000, -0.0003387500000000 ] - [ 0.0014769900000000, -0.0001351500000000, 0.0020718700000000 ] - [ -0.0001640600000000, 0.0005556200000000, 0.0007279900000000 ] - [ 0.0021624000000000, -0.0000287700000000, -0.0005817700000000 ] - [ -0.0017653200000000, -0.0001320300000000, -0.0000229600000000 ] - [ -0.0036075800000000, -0.0025596700000000, -0.0128959000000000 ] - [ 0.0378708600000000, -0.0002198000000000, -0.0003635200000000 ] - [ -0.0013359400000000, 0.0003472500000000, -0.0000909400000000 ] - [ -0.0009688600000000, -0.0004158800000000, 0.0007541100000000 ] - [ -0.0009737600000000, 0.0002178400000000, -0.0006684900000000 ] - [ 0.0008982600000000, -0.0002330100000000, -0.0000376300000000 ] - [ 0.0000079200000000, -0.0003518200000000, 0.0000086000000000 ] - [ -0.0001960700000000, 0.0003081200000000, -0.0002334100000000 ] - [ 0.0009385400000000, 0.0003237000000000, 0.0005434600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001450700000000, 0.0000933600000000, 0.0000039300000000 ] - [ -0.0000549800000000, 0.0022211000000000, -0.0000237100000000 ] - [ 0.0000790100000000, -0.0003760700000000, 0.0000283300000000 ] - [ 0.0001375700000000, -0.0001599100000000, 0.0000121300000000 ] - [ -0.0003512000000000, 0.0010746600000000, 0.0000866300000000 ] - [ -0.0001039600000000, 0.0000138200000000, -0.0000577500000000 ] - [ -0.0002536600000000, -0.0031332600000000, 0.0020334300000000 ] - [ 0.0001035000000000, 0.0000267200000000, -0.0000136500000000 ] - [ -0.0001032100000000, -0.0001840000000000, 0.0001793900000000 ] - [ 0.0018042800000000, 0.0002969500000000, 0.0011762600000000 ] - [ -0.0000119400000000, -0.0013901700000000, 0.0000874300000000 ] - [ -0.0000561100000000, -0.0002944200000000, 0.0002211200000000 ] - [ 0.0003432800000000, 0.0059712000000000, -0.0002559300000000 ] - [ 0.0000951500000000, 0.0004181700000000, -0.0000881400000000 ] - [ -0.0009158900000000, -0.0013118800000000, -0.0012112100000000 ] - [ -0.0000257300000000, -0.0002759200000000, -0.0001599700000000 ] - [ -0.0003835600000000, -0.0003362800000000, 0.0003229400000000 ] - [ -0.0002120100000000, -0.0005193100000000, 0.0003304300000000 ] - [ 0.0000323100000000, 0.0199630700000000, 0.0004600300000000 ] - [ 0.0003993500000000, -0.0001414600000000, -0.0002698900000000 ] - [ -0.0000420200000000, -0.0004075800000000, -0.0001784700000000 ] - [ -0.0004199100000000, 0.0001841900000000, -0.0003012700000000 ] - [ -0.0017336400000000, 0.0012428700000000, 0.0008112200000000 ] - [ 0.0008797300000000, 0.0006010100000000, 0.0004644000000000 ] - [ 0.0004633300000000, 0.0001143000000000, 0.0003875000000000 ] - [ 0.0010185900000000, 0.0001059600000000, 0.0001393200000000 ] - [ -0.0005981900000000, -0.0012856500000000, -0.0004172800000000 ] - [ 0.0002098100000000, 0.0001925800000000, -0.0000226800000000 ] - [ -0.0009899400000000, -0.0005301100000000, 0.0004225200000000 ] - [ 0.0021490500000000, -0.0052183700000000, 0.0002397300000000 ] - [ -0.0041113300000000, -0.0095871100000000, 0.0025340500000000 ] - [ -0.0000845900000000, -0.0003150500000000, 0.0000742300000000 ] - [ 0.0024181500000000, -0.0046822800000000, -0.0022588000000000 ] - [ -0.0012424400000000, -0.0002796700000000, -0.0002497500000000 ] - [ 0.0004630300000000, 0.0030691200000000, -0.0002542900000000 ] - [ 0.0009184800000000, 0.0001816700000000, -0.0003109100000000 ] - [ 0.0007531800000000, 0.0011124400000000, 0.0003717800000000 ] - [ -0.0034383500000000, 0.0020737200000000, -0.0011469000000000 ] - [ 0.0003487600000000, -0.0000310400000000, 0.0001266300000000 ] - [ -0.0000769300000000, -0.0002428800000000, 0.0002065400000000 ] - [ -0.0000793500000000, 0.0004791900000000, -0.0000607500000000 ] - [ -0.0000188400000000, 0.0005687300000000, -0.0000742200000000 ] - [ 0.0000938200000000, 0.0006288200000000, 0.0005261600000000 ] - [ 0.0002169500000000, 0.0000162800000000, 0.0005089400000000 ] - [ 0.0010309500000000, -0.0000286600000000, 0.0000455100000000 ] - [ 0.0004565400000000, -0.0001085400000000, 0.0002158800000000 ] - [ -0.0000415100000000, -0.0000228400000000, -0.0006181100000000 ] - [ 0.0003137500000000, 0.0000400100000000, -0.0005660200000000 ] - [ 0.0002275100000000, -0.0007617100000000, 0.0025008800000000 ] - [ -0.0001361800000000, -0.0007725100000000, 0.0000705200000000 ] - [ 0.0019974700000000, 0.0046188800000000, -0.0133947500000000 ] - [ -0.0003723900000000, -0.0003185400000000, -0.0000280900000000 ] - [ -0.0019966200000000, 0.0053829100000000, -0.0007082600000000 ] - [ -0.0004330600000000, 0.0002058700000000, 0.0001424100000000 ] - [ 0.0005514100000000, 0.0011893500000000, -0.0001531500000000 ] - [ 0.0003326200000000, 0.0003343300000000, -0.0000112300000000 ] - [ -0.0019277300000000, -0.0001482100000000, 0.0001322300000000 ] - [ 0.0000432100000000, -0.0001381800000000, 0.0000634600000000 ] - [ 0.0010011100000000, 0.0042873500000000, -0.0000487100000000 ] - [ 0.0001543200000000, 0.0008791300000000, 0.0000482200000000 ] - [ 0.0002633300000000, -0.0002485800000000, 0.0000081600000000 ] - [ 0.0004161100000000, -0.0001444200000000, 0.0001263200000000 ] - [ 0.0002142100000000, -0.0015497700000000, -0.0020792400000000 ] - [ 0.0005868400000000, -0.0008134400000000, -0.0000063700000000 ] - [ -0.0002324600000000, -0.0005671000000000, -0.0001208100000000 ] - [ 0.0032374300000000, 0.0034219200000000, 0.0017996000000000 ] - [ -0.0057990000000000, 0.0036333000000000, 0.0108888400000000 ] - [ -0.0004925500000000, 0.0007624200000000, 0.0000013200000000 ] - [ -0.0005324100000000, -0.0007410200000000, 0.0004438800000000 ] - [ -0.0009693000000000, -0.0006190000000000, 0.0005704800000000 ] - [ -0.0039518200000000, 0.0034646700000000, 0.0001389000000000 ] - [ 0.0008813200000000, -0.0005374700000000, -0.0004917800000000 ] - [ 0.0007245900000000, 0.0008567400000000, -0.0000181700000000 ] - [ 0.0004095400000000, 0.0008616600000000, -0.0001048300000000 ] - [ -0.0006571600000000, -0.0004537000000000, -0.0005172100000000 ] - [ -0.0007395300000000, 0.0005131500000000, -0.0004265500000000 ] - [ -0.0001473500000000, -0.0006317200000000, -0.0000333500000000 ] - [ -0.0003758000000000, -0.0007891100000000, -0.0003111200000000 ] - [ 0.0003390000000000, -0.0002864100000000, 0.0000304900000000 ] - [ -0.0015703900000000, 0.0007043100000000, -0.0002753200000000 ] - [ 0.0057357300000000, 0.0032668700000000, -0.0004714900000000 ] - [ -0.0003825400000000, -0.0000286500000000, 0.0004896000000000 ] - [ 0.0004950500000000, 0.0000346800000000, -0.0001759000000000 ] - [ 0.0007348000000000, -0.0005793000000000, -0.0006353000000000 ] - [ 0.0007493300000000, 0.0007472900000000, 0.0003847900000000 ] - [ 0.0001108800000000, 0.0018510900000000, 0.0003304900000000 ] - [ -0.0003457000000000, -0.0002167700000000, -0.0005250900000000 ] - [ 0.0016644700000000, -0.0030600300000000, 0.0025190200000000 ] - [ 0.0001391200000000, -0.0335050700000000, -0.0034025200000000 ] - [ -0.0004887400000000, 0.0002948300000000, -0.0000251100000000 ] - [ 0.0000775700000000, -0.0005271600000000, -0.0003596400000000 ] - [ -0.0005578000000000, -0.0005263100000000, -0.0000300400000000 ] - [ 0.0003749600000000, -0.0000398800000000, 0.0002314300000000 ] - [ 0.0004937700000000, -0.0003220100000000, 0.0000119300000000 ] - [ 0.0004505700000000, 0.0003905800000000, -0.0000079800000000 ] - [ 0.0004681000000000, 0.0007972700000000, -0.0000477300000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000277800000000, -0.0000031400000000, 0.0000656800000000 ] - [ -0.0000429800000000, -0.0021767300000000, 0.0000353900000000 ] - [ 0.0000922200000000, 0.0002838800000000, 0.0000393600000000 ] - [ 0.0000348100000000, 0.0000652600000000, 0.0000581200000000 ] - [ 0.0001751100000000, -0.0011686700000000, -0.0001503900000000 ] - [ -0.0000686100000000, -0.0001078200000000, -0.0000120900000000 ] - [ 0.0004295600000000, 0.0032693900000000, -0.0021100600000000 ] - [ 0.0000710900000000, 0.0000673400000000, -0.0000563500000000 ] - [ 0.0002177600000000, -0.0003000500000000, 0.0000793800000000 ] - [ -0.0016893200000000, -0.0007954300000000, -0.0009093500000000 ] - [ -0.0000968600000000, 0.0018703100000000, 0.0001775900000000 ] - [ -0.0000648200000000, 0.0007762200000000, 0.0000400800000000 ] - [ -0.0002195500000000, -0.0054917700000000, -0.0000088800000000 ] - [ 0.0000207000000000, 0.0000640400000000, -0.0001724200000000 ] - [ 0.0008007100000000, 0.0008413400000000, 0.0009618500000000 ] - [ -0.0000886200000000, -0.0002079600000000, -0.0000992100000000 ] - [ -0.0003679600000000, -0.0001054100000000, 0.0002766600000000 ] - [ -0.0005404700000000, 0.0000784900000000, 0.0002740300000000 ] - [ 0.0007330800000000, -0.0204206900000000, -0.0013246000000000 ] - [ 0.0003519400000000, -0.0003006600000000, -0.0003297500000000 ] - [ -0.0007080500000000, 0.0008515000000000, -0.0004176500000000 ] - [ -0.0003319200000000, 0.0002560800000000, -0.0002972900000000 ] - [ 0.0024903800000000, -0.0008133800000000, -0.0002158500000000 ] - [ -0.0001313500000000, -0.0001721700000000, 0.0001312000000000 ] - [ 0.0012956500000000, -0.0003633600000000, 0.0002354400000000 ] - [ 0.0007387400000000, -0.0003560400000000, 0.0004884900000000 ] - [ 0.0008656400000000, 0.0017626200000000, 0.0003622900000000 ] - [ 0.0000568800000000, 0.0002854700000000, -0.0000392300000000 ] - [ -0.0007652100000000, 0.0007783500000000, 0.0002020100000000 ] - [ -0.0039367800000000, 0.0054596900000000, 0.0003577200000000 ] - [ 0.0038854300000000, 0.0091140800000000, -0.0026772800000000 ] - [ -0.0001816900000000, -0.0001659400000000, -0.0001378500000000 ] - [ -0.0041962500000000, 0.0044688800000000, 0.0015985100000000 ] - [ -0.0005138700000000, 0.0000331200000000, -0.0003788900000000 ] - [ 0.0012938200000000, -0.0028275300000000, -0.0003650300000000 ] - [ 0.0008385400000000, 0.0000647600000000, -0.0003150200000000 ] - [ -0.0010205400000000, -0.0006296400000000, -0.0003109500000000 ] - [ 0.0032007800000000, -0.0015451200000000, 0.0011701400000000 ] - [ -0.0000830400000000, -0.0004491600000000, -0.0000647100000000 ] - [ 0.0003441100000000, -0.0002361800000000, -0.0001391900000000 ] - [ -0.0001339700000000, 0.0010119600000000, -0.0000691600000000 ] - [ -0.0001953800000000, 0.0009227200000000, -0.0000588700000000 ] - [ 0.0003549400000000, -0.0006760500000000, 0.0004859700000000 ] - [ 0.0002301400000000, -0.0000618600000000, 0.0005077800000000 ] - [ 0.0000648800000000, -0.0001887600000000, 0.0002929500000000 ] - [ 0.0006416900000000, -0.0001094200000000, 0.0001227800000000 ] - [ 0.0004892800000000, 0.0000634700000000, -0.0003964300000000 ] - [ 0.0001343500000000, 0.0000035700000000, -0.0004509300000000 ] - [ -0.0004416100000000, -0.0007276900000000, -0.0023831300000000 ] - [ -0.0000767000000000, -0.0007207700000000, 0.0000599700000000 ] - [ -0.0027221500000000, -0.0051638000000000, 0.0135026700000000 ] - [ -0.0003326800000000, -0.0002527700000000, 0.0000024100000000 ] - [ 0.0009050400000000, -0.0052259300000000, 0.0010793300000000 ] - [ -0.0006673000000000, 0.0000105700000000, 0.0001975600000000 ] - [ 0.0001504600000000, -0.0006185000000000, 0.0001212000000000 ] - [ 0.0003719500000000, 0.0002355000000000, -0.0000145200000000 ] - [ 0.0008311600000000, -0.0000742400000000, -0.0004660000000000 ] - [ -0.0011476500000000, -0.0000881700000000, -0.0003958000000000 ] - [ -0.0007879300000000, -0.0028032200000000, 0.0001906400000000 ] - [ 0.0000575500000000, 0.0006104400000000, 0.0000835600000000 ] - [ 0.0004420200000000, -0.0003236000000000, 0.0000193400000000 ] - [ 0.0002879400000000, -0.0004297900000000, -0.0001030700000000 ] - [ 0.0009553400000000, -0.0000434900000000, 0.0020693200000000 ] - [ 0.0005873600000000, -0.0007721000000000, 0.0000002500000000 ] - [ 0.0004441700000000, -0.0009271000000000, -0.0000082700000000 ] - [ -0.0029607700000000, -0.0048927300000000, -0.0019041500000000 ] - [ 0.0046039100000000, -0.0021065200000000, -0.0108427200000000 ] - [ -0.0006829900000000, 0.0008218500000000, -0.0000082200000000 ] - [ -0.0009339300000000, -0.0003609400000000, 0.0004070900000000 ] - [ -0.0004972100000000, -0.0004881100000000, 0.0002787500000000 ] - [ 0.0053581400000000, -0.0045490800000000, -0.0009749000000000 ] - [ 0.0005870800000000, -0.0005739100000000, -0.0003542800000000 ] - [ 0.0004486800000000, 0.0007262900000000, 0.0000247800000000 ] - [ 0.0007645700000000, 0.0007235800000000, 0.0001086800000000 ] - [ -0.0008083300000000, 0.0015643700000000, -0.0003422300000000 ] - [ -0.0007284500000000, 0.0005940300000000, -0.0004246700000000 ] - [ -0.0005541400000000, 0.0012038300000000, 0.0000577100000000 ] - [ -0.0003409100000000, 0.0013600100000000, 0.0003418900000000 ] - [ -0.0015197000000000, -0.0012991800000000, -0.0000236600000000 ] - [ 0.0004083500000000, -0.0022832000000000, 0.0002846100000000 ] - [ -0.0062654700000000, -0.0032375500000000, 0.0015057900000000 ] - [ -0.0000653700000000, 0.0000763700000000, 0.0005265100000000 ] - [ 0.0006040600000000, 0.0001826900000000, -0.0001634700000000 ] - [ 0.0003633800000000, 0.0007949700000000, 0.0002954900000000 ] - [ 0.0007185600000000, 0.0003598900000000, 0.0004640600000000 ] - [ 0.0013596900000000, -0.0007437400000000, 0.0005313000000000 ] - [ -0.0001018300000000, 0.0001703200000000, -0.0004914000000000 ] - [ -0.0021649500000000, 0.0029745800000000, -0.0035839100000000 ] - [ -0.0010378000000000, 0.0343235500000000, 0.0036472500000000 ] - [ -0.0004709000000000, 0.0003806000000000, 0.0000170900000000 ] - [ -0.0010376600000000, -0.0001488100000000, 0.0003709800000000 ] - [ -0.0004039000000000, -0.0001477100000000, 0.0000387400000000 ] - [ 0.0005852400000000, -0.0006377100000000, -0.0002423100000000 ] - [ 0.0004657700000000, -0.0003548300000000, -0.0000203900000000 ] - [ 0.0005083900000000, 0.0002841700000000, 0.0000142500000000 ] - [ 0.0004942800000000, -0.0001220500000000, 0.0000498900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003718800000000, -0.0000019900000000, 0.0002390600000000 ] - [ 0.0014563100000000, -0.0008747600000000, 0.0022486800000000 ] - [ 0.0004976800000000, -0.0001666800000000, -0.0005894900000000 ] - [ -0.0001732600000000, -0.0001098700000000, -0.0004105400000000 ] - [ 0.0012139000000000, 0.0000984300000000, -0.0020116000000000 ] - [ -0.0003461800000000, -0.0000156800000000, -0.0003335800000000 ] - [ 0.0005506500000000, 0.0039219300000000, 0.0006049000000000 ] - [ -0.0000256400000000, 0.0000552200000000, 0.0001245600000000 ] - [ 0.0000694500000000, -0.0002322000000000, -0.0003291300000000 ] - [ -0.0021525100000000, 0.0015714800000000, -0.0040776800000000 ] - [ -0.0005824900000000, 0.0002860000000000, 0.0011757900000000 ] - [ 0.0002333600000000, 0.0001391400000000, 0.0008810800000000 ] - [ -0.0052175000000000, -0.0004156500000000, 0.0039753400000000 ] - [ 0.0001559200000000, 0.0002835800000000, 0.0004985500000000 ] - [ -0.0007275700000000, -0.0020376100000000, -0.0047495500000000 ] - [ -0.0002310500000000, -0.0002505900000000, -0.0005090700000000 ] - [ -0.0006617300000000, -0.0002385100000000, 0.0001449600000000 ] - [ 0.0000066700000000, -0.0002034000000000, -0.0006523600000000 ] - [ 0.0011951600000000, 0.0010909100000000, 0.0715632500000000 ] - [ 0.0002365200000000, -0.0001436800000000, -0.0001616400000000 ] - [ -0.0022366400000000, 0.0021975400000000, -0.0021180500000000 ] - [ -0.0001461000000000, 0.0002935300000000, -0.0005074700000000 ] - [ 0.0008691400000000, -0.0000017200000000, 0.0011573700000000 ] - [ -0.0001018000000000, 0.0005043300000000, 0.0011252600000000 ] - [ 0.0002675400000000, -0.0001327700000000, -0.0014261400000000 ] - [ 0.0010964800000000, -0.0005666000000000, -0.0005324200000000 ] - [ -0.0008999200000000, -0.0026907600000000, -0.0040171100000000 ] - [ 0.0000268500000000, 0.0002030700000000, -0.0001762000000000 ] - [ -0.0009561800000000, 0.0000040600000000, 0.0005758600000000 ] - [ -0.0016670200000000, -0.0001106700000000, 0.0026677700000000 ] - [ 0.0037168200000000, 0.0053855800000000, 0.0096605900000000 ] - [ -0.0005255800000000, -0.0003580600000000, 0.0002019500000000 ] - [ 0.0062540000000000, -0.0049419800000000, 0.0072684200000000 ] - [ -0.0021039100000000, -0.0003384000000000, 0.0002581800000000 ] - [ 0.0030659800000000, -0.0001751000000000, -0.0101008300000000 ] - [ 0.0004596700000000, 0.0000651900000000, -0.0005354800000000 ] - [ 0.0006755900000000, 0.0013351100000000, 0.0015939900000000 ] - [ -0.0064434100000000, -0.0026726400000000, 0.0072809800000000 ] - [ -0.0010174000000000, -0.0004501800000000, -0.0010095300000000 ] - [ 0.0030017300000000, 0.0013085900000000, -0.0026575200000000 ] - [ 0.0000727600000000, 0.0007084300000000, 0.0006287200000000 ] - [ -0.0007110900000000, 0.0010667900000000, 0.0010532000000000 ] - [ -0.0003964600000000, 0.0009244000000000, 0.0028522800000000 ] - [ 0.0003778800000000, -0.0000245200000000, 0.0006451700000000 ] - [ 0.0011676600000000, -0.0000590100000000, 0.0018518400000000 ] - [ 0.0005560200000000, -0.0000452000000000, 0.0004062500000000 ] - [ 0.0015301500000000, -0.0005081200000000, 0.0001759700000000 ] - [ -0.0005353200000000, -0.0003253600000000, -0.0003566000000000 ] - [ 0.0006425600000000, 0.0025591200000000, 0.0058600000000000 ] - [ 0.0000078400000000, -0.0006961600000000, 0.0000959200000000 ] - [ -0.0045666700000000, -0.0141510000000000, 0.0136465800000000 ] - [ -0.0001927800000000, -0.0002602200000000, 0.0000124800000000 ] - [ -0.0001544800000000, -0.0004928400000000, -0.0027618100000000 ] - [ -0.0003541900000000, 0.0001002200000000, 0.0000456100000000 ] - [ 0.0008445700000000, 0.0001381200000000, 0.0006023100000000 ] - [ 0.0003237800000000, 0.0002859900000000, -0.0000375500000000 ] - [ -0.0032524800000000, -0.0002274800000000, -0.0012867200000000 ] - [ 0.0015481400000000, 0.0007872400000000, -0.0008230700000000 ] - [ -0.0015298800000000, 0.0010615100000000, -0.0016597400000000 ] - [ 0.0004833400000000, 0.0009873100000000, -0.0000135600000000 ] - [ 0.0007001600000000, -0.0003831600000000, 0.0004905600000000 ] - [ 0.0004060600000000, -0.0008532000000000, 0.0017018600000000 ] - [ 0.0026102800000000, -0.0032287500000000, 0.0068893300000000 ] - [ 0.0006618700000000, -0.0007980500000000, -0.0000507300000000 ] - [ -0.0000213700000000, -0.0007436000000000, -0.0005009800000000 ] - [ 0.0001950400000000, 0.0000080000000000, -0.0026816400000000 ] - [ -0.0101815400000000, 0.0124370400000000, 0.0132639700000000 ] - [ -0.0001297000000000, 0.0006952800000000, 0.0000337100000000 ] - [ 0.0003670700000000, 0.0006167700000000, 0.0015291800000000 ] - [ -0.0013243500000000, -0.0003579600000000, 0.0005897700000000 ] - [ 0.0011453200000000, -0.0020215200000000, -0.0049991500000000 ] - [ 0.0009619500000000, -0.0005007800000000, -0.0009599700000000 ] - [ 0.0009768000000000, 0.0009560900000000, 0.0005986700000000 ] - [ 0.0007383100000000, 0.0006492600000000, 0.0010094600000000 ] - [ -0.0013711300000000, 0.0005900900000000, 0.0043894700000000 ] - [ -0.0006117500000000, 0.0005628900000000, -0.0001933700000000 ] - [ 0.0004201200000000, 0.0000847900000000, -0.0016952900000000 ] - [ 0.0002737800000000, -0.0001402600000000, -0.0024560500000000 ] - [ -0.0005540400000000, -0.0007556800000000, -0.0003967000000000 ] - [ -0.0003776000000000, -0.0004857000000000, -0.0011891600000000 ] - [ -0.0011087700000000, 0.0007000300000000, -0.0036623400000000 ] - [ 0.0000126000000000, -0.0000139000000000, 0.0002259500000000 ] - [ 0.0010638800000000, 0.0002013200000000, -0.0000443900000000 ] - [ -0.0027153000000000, -0.0011371700000000, 0.0038498500000000 ] - [ 0.0006414000000000, 0.0006116200000000, 0.0004717200000000 ] - [ 0.0015688000000000, 0.0004421000000000, -0.0000353300000000 ] - [ -0.0002966500000000, -0.0002194400000000, -0.0006859300000000 ] - [ 0.0111287400000000, 0.0038673800000000, 0.0096715400000000 ] - [ 0.0001765600000000, -0.0032764400000000, -0.1247249600000000 ] - [ -0.0003913000000000, 0.0003168400000000, -0.0001546600000000 ] - [ -0.0011538100000000, -0.0003724600000000, -0.0002230100000000 ] - [ 0.0002702400000000, -0.0007035300000000, -0.0002238300000000 ] - [ 0.0004471400000000, -0.0005712800000000, 0.0023023100000000 ] - [ 0.0004919500000000, -0.0003532100000000, 0.0002234400000000 ] - [ 0.0007152900000000, 0.0003478300000000, 0.0000033100000000 ] - [ -0.0000590800000000, 0.0003853800000000, 0.0003549000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002002200000000, 0.0000941700000000, -0.0001753800000000 ] - [ -0.0015510800000000, 0.0009090800000000, -0.0022515300000000 ] - [ -0.0003202300000000, 0.0000719100000000, 0.0006606900000000 ] - [ 0.0003444100000000, 0.0000149000000000, 0.0004828900000000 ] - [ -0.0013797700000000, -0.0001892300000000, 0.0019455500000000 ] - [ 0.0001737100000000, -0.0000772700000000, 0.0002664300000000 ] - [ -0.0003798000000000, -0.0038134000000000, -0.0007147600000000 ] - [ 0.0001987000000000, 0.0000384300000000, -0.0001941700000000 ] - [ 0.0000465700000000, -0.0002504400000000, 0.0005912500000000 ] - [ 0.0022546200000000, -0.0020441000000000, 0.0043422400000000 ] - [ 0.0004634900000000, 0.0001968200000000, -0.0009379100000000 ] - [ -0.0003450100000000, 0.0003438800000000, -0.0006349900000000 ] - [ 0.0052068500000000, 0.0009063500000000, -0.0043553000000000 ] - [ -0.0000371900000000, 0.0002001300000000, -0.0007661100000000 ] - [ 0.0006070600000000, 0.0015431100000000, 0.0044960400000000 ] - [ 0.0001157900000000, -0.0002337600000000, 0.0002530400000000 ] - [ -0.0000876200000000, -0.0002024300000000, 0.0004541200000000 ] - [ -0.0007642700000000, -0.0002387500000000, 0.0012491400000000 ] - [ -0.0003041800000000, -0.0013047100000000, -0.0660906500000000 ] - [ 0.0005150200000000, -0.0002974700000000, -0.0004389700000000 ] - [ 0.0015053700000000, -0.0017737200000000, 0.0015153200000000 ] - [ -0.0006085200000000, 0.0001475500000000, -0.0000939000000000 ] - [ -0.0001373300000000, 0.0004508600000000, -0.0005465700000000 ] - [ 0.0008618000000000, -0.0000680600000000, -0.0005147700000000 ] - [ 0.0015067000000000, -0.0001124100000000, 0.0020429500000000 ] - [ 0.0006549900000000, 0.0003256100000000, 0.0011496600000000 ] - [ 0.0011832200000000, 0.0031980200000000, 0.0039590100000000 ] - [ 0.0002367800000000, 0.0002814100000000, 0.0001115000000000 ] - [ -0.0008085900000000, 0.0002388800000000, 0.0000516000000000 ] - [ -0.0000852500000000, 0.0003657900000000, -0.0020113300000000 ] - [ -0.0039914300000000, -0.0059152200000000, -0.0096112800000000 ] - [ 0.0002613300000000, -0.0001265100000000, -0.0002609200000000 ] - [ -0.0080131500000000, 0.0046956700000000, -0.0078167600000000 ] - [ 0.0003464200000000, 0.0000946100000000, -0.0008773100000000 ] - [ -0.0013250700000000, 0.0004231000000000, 0.0095375400000000 ] - [ 0.0013023200000000, 0.0001801800000000, -0.0000881500000000 ] - [ -0.0009437800000000, -0.0008502700000000, -0.0015236900000000 ] - [ 0.0062075200000000, 0.0031593400000000, -0.0071344100000000 ] - [ 0.0012902600000000, -0.0000342900000000, 0.0010719100000000 ] - [ -0.0027605300000000, -0.0018017600000000, 0.0027223500000000 ] - [ -0.0002883200000000, 0.0007832800000000, -0.0007587600000000 ] - [ 0.0005092200000000, 0.0004199600000000, -0.0011848600000000 ] - [ 0.0008415700000000, -0.0009746800000000, -0.0018432600000000 ] - [ 0.0000622300000000, -0.0000172700000000, 0.0003693500000000 ] - [ -0.0000837100000000, -0.0001587300000000, -0.0015138200000000 ] - [ 0.0005449900000000, -0.0001726200000000, -0.0000665700000000 ] - [ -0.0010985100000000, 0.0005522100000000, -0.0011840900000000 ] - [ 0.0009845100000000, 0.0003715500000000, -0.0006523000000000 ] - [ -0.0008625900000000, -0.0040992400000000, -0.0057859900000000 ] - [ -0.0002180100000000, -0.0007948500000000, 0.0000349800000000 ] - [ 0.0038055100000000, 0.0133855100000000, -0.0134949600000000 ] - [ -0.0005171700000000, -0.0003190100000000, -0.0000377900000000 ] - [ -0.0009460900000000, 0.0007273500000000, 0.0030799000000000 ] - [ -0.0007410600000000, 0.0001162900000000, 0.0002937900000000 ] - [ -0.0001435900000000, 0.0004418700000000, -0.0006180200000000 ] - [ 0.0003856200000000, 0.0002937400000000, 0.0000154900000000 ] - [ 0.0021469900000000, 0.0000126200000000, 0.0009379000000000 ] - [ -0.0026414500000000, -0.0009996300000000, 0.0004726300000000 ] - [ 0.0017334900000000, 0.0004347900000000, 0.0017686900000000 ] - [ -0.0002726600000000, 0.0005037500000000, 0.0001418300000000 ] - [ 0.0000070900000000, -0.0001948200000000, -0.0004673900000000 ] - [ 0.0003099200000000, 0.0002790000000000, -0.0016783100000000 ] - [ -0.0014757800000000, 0.0016834900000000, -0.0069690600000000 ] - [ 0.0005182100000000, -0.0007906500000000, 0.0000485400000000 ] - [ 0.0002333300000000, -0.0007451300000000, 0.0003680100000000 ] - [ -0.0000122200000000, -0.0015236800000000, 0.0025289500000000 ] - [ 0.0088960400000000, -0.0107140900000000, -0.0131126100000000 ] - [ -0.0010498700000000, 0.0008936300000000, -0.0000381700000000 ] - [ -0.0018399200000000, -0.0017254300000000, -0.0006703600000000 ] - [ -0.0001424800000000, -0.0007507800000000, 0.0002676100000000 ] - [ 0.0003621600000000, 0.0008835800000000, 0.0041443400000000 ] - [ 0.0005054500000000, -0.0006077700000000, 0.0001097600000000 ] - [ 0.0001983700000000, 0.0006305900000000, -0.0005971300000000 ] - [ 0.0004465500000000, 0.0009388300000000, -0.0010059700000000 ] - [ -0.0000946900000000, 0.0005169900000000, -0.0052512500000000 ] - [ -0.0008584000000000, 0.0005448600000000, -0.0006583200000000 ] - [ -0.0011241700000000, 0.0004908700000000, 0.0017227900000000 ] - [ -0.0010091500000000, 0.0007199400000000, 0.0024673700000000 ] - [ -0.0006151200000000, -0.0008307500000000, 0.0003975300000000 ] - [ -0.0008125700000000, -0.0011025400000000, 0.0011882200000000 ] - [ 0.0007181200000000, -0.0006178100000000, 0.0046574000000000 ] - [ -0.0004589800000000, 0.0000591100000000, 0.0007885500000000 ] - [ 0.0000305000000000, 0.0000153500000000, -0.0002946700000000 ] - [ 0.0038508700000000, 0.0013659600000000, -0.0042154700000000 ] - [ 0.0008295900000000, 0.0004964900000000, 0.0003737900000000 ] - [ -0.0000941300000000, 0.0006636200000000, 0.0008651600000000 ] - [ -0.0001450600000000, 0.0001771700000000, -0.0003298000000000 ] - [ -0.0114422400000000, -0.0038687100000000, -0.0105793200000000 ] - [ -0.0012107200000000, 0.0037819100000000, 0.1183796000000000 ] - [ -0.0005666900000000, 0.0003585100000000, 0.0001326800000000 ] - [ 0.0001965500000000, -0.0003048100000000, 0.0002366100000000 ] - [ -0.0012252300000000, 0.0000266700000000, 0.0002370600000000 ] - [ 0.0005039900000000, -0.0000978700000000, -0.0023304400000000 ] - [ 0.0004672000000000, -0.0003212000000000, -0.0002462100000000 ] - [ 0.0002425500000000, 0.0003272000000000, 0.0000187900000000 ] - [ 0.0010195900000000, 0.0002894000000000, -0.0003267700000000 ]