# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/93ba22ee-8d33-4a34-b5dc-deb1da9cb217/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 Ba9(AuO6)2 / Pnma (62) / materials id 28788](https://mdr.nims.go.jp/datasets/1b3030a1-1375-4c43-8338-2cf8de3af4fd) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.124266860000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.168313959999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.119108580000001 ] # c points: - symbol: O # 1 coordinates: [ 0.996592180000000, 0.347768930000000, 0.047579900000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.496592180000000, 0.152231070000000, 0.452420100000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.503407820000000, 0.652231070000000, 0.547579900000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.003407820000000, 0.847768930000000, 0.952420100000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.003407820000000, 0.652231070000000, 0.952420100000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.503407820000000, 0.847768930000000, 0.547579900000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.496592180000000, 0.347768930000000, 0.452420100000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.996592180000000, 0.152231070000000, 0.047579900000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.294732220000000, 0.250000000000000, 0.727092800000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.794732220000000, 0.250000000000000, 0.772907200000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.205267780000000, 0.750000000000000, 0.227092800000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.705267780000000, 0.750000000000000, 0.272907200000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.337265630000000, 0.479563810000000, 0.676811020000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.837265630000000, 0.020436190000000, 0.823188980000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.162734370000000, 0.520436190000000, 0.176811020000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.662734370000000, 0.979563810000000, 0.323188980000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.662734370000000, 0.520436190000000, 0.323188980000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.162734370000000, 0.979563810000000, 0.176811020000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.837265630000000, 0.479563810000000, 0.823188980000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.337265630000000, 0.020436190000000, 0.676811020000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.177324650000000, 0.405427780000000, 0.876218280000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.677324650000000, 0.094572220000000, 0.623781720000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.322675350000000, 0.594572220000000, 0.376218280000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.822675350000000, 0.905427780000000, 0.123781720000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.822675350000000, 0.594572220000000, 0.123781720000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.322675350000000, 0.905427780000000, 0.376218280000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.677324650000000, 0.405427780000000, 0.623781720000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.177324650000000, 0.094572220000000, 0.876218280000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.990334070000000, 0.154838960000000, 0.299749350000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.490334070000000, 0.345161040000000, 0.200250650000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.509665930000000, 0.845161040000000, 0.799749350000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.009665930000000, 0.654838960000000, 0.700250650000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.009665930000000, 0.845161040000000, 0.700250650000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.509665930000000, 0.654838960000000, 0.799749350000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.490334070000000, 0.154838960000000, 0.200250650000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.990334070000000, 0.345161040000000, 0.299749350000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.664045810000000, 0.424662700000000, 0.991420280000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.164045810000000, 0.075337300000000, 0.508579720000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.835954190000000, 0.575337300000000, 0.491420280000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.335954190000000, 0.924662700000000, 0.008579720000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.335954190000000, 0.575337300000000, 0.008579720000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.835954190000000, 0.924662700000000, 0.491420280000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.164045810000000, 0.424662700000000, 0.508579720000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.664045810000000, 0.075337300000000, 0.991420280000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.439882660000000, 0.250000000000000, 0.948149930000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.939882660000000, 0.250000000000000, 0.551850070000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.060117340000000, 0.750000000000000, 0.448149930000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.560117340000000, 0.750000000000000, 0.051850070000000 ] mass: 15.999400 - symbol: Ba # 49 coordinates: [ 0.184666110000000, 0.557140920000000, 0.822150690000000 ] mass: 137.327000 - symbol: Ba # 50 coordinates: [ 0.684666110000000, 0.942859080000000, 0.677849310000000 ] mass: 137.327000 - symbol: Ba # 51 coordinates: [ 0.315333890000000, 0.442859080000000, 0.322150690000000 ] mass: 137.327000 - symbol: Ba # 52 coordinates: [ 0.815333890000000, 0.057140920000000, 0.177849310000000 ] mass: 137.327000 - symbol: Ba # 53 coordinates: [ 0.815333890000000, 0.442859080000000, 0.177849310000000 ] mass: 137.327000 - symbol: Ba # 54 coordinates: [ 0.315333890000000, 0.057140920000000, 0.322150690000000 ] mass: 137.327000 - symbol: Ba # 55 coordinates: [ 0.684666110000000, 0.557140920000000, 0.677849310000000 ] mass: 137.327000 - symbol: Ba # 56 coordinates: [ 0.184666110000000, 0.942859080000000, 0.822150690000000 ] mass: 137.327000 - symbol: Ba # 57 coordinates: [ 0.160194540000000, 0.250000000000000, 0.180069140000000 ] mass: 137.327000 - symbol: Ba # 58 coordinates: [ 0.660194540000000, 0.250000000000000, 0.319930860000000 ] mass: 137.327000 - symbol: Ba # 59 coordinates: [ 0.339805460000000, 0.750000000000000, 0.680069140000000 ] mass: 137.327000 - symbol: Ba # 60 coordinates: [ 0.839805460000000, 0.750000000000000, 0.819930860000000 ] mass: 137.327000 - symbol: Ba # 61 coordinates: [ 0.175504930000000, 0.250000000000000, 0.435399680000000 ] mass: 137.327000 - symbol: Ba # 62 coordinates: [ 0.675504930000000, 0.250000000000000, 0.064600320000000 ] mass: 137.327000 - symbol: Ba # 63 coordinates: [ 0.324495070000000, 0.750000000000000, 0.935399680000000 ] mass: 137.327000 - symbol: Ba # 64 coordinates: [ 0.824495070000000, 0.750000000000000, 0.564600320000000 ] mass: 137.327000 - symbol: Ba # 65 coordinates: [ 0.331699880000000, 0.420138880000000, 0.051284350000000 ] mass: 137.327000 - symbol: Ba # 66 coordinates: [ 0.831699880000000, 0.079861120000000, 0.448715650000000 ] mass: 137.327000 - symbol: Ba # 67 coordinates: [ 0.168300120000000, 0.579861120000000, 0.551284350000000 ] mass: 137.327000 - symbol: Ba # 68 coordinates: [ 0.668300120000000, 0.920138880000000, 0.948715650000000 ] mass: 137.327000 - symbol: Ba # 69 coordinates: [ 0.668300120000000, 0.579861120000000, 0.948715650000000 ] mass: 137.327000 - symbol: Ba # 70 coordinates: [ 0.168300120000000, 0.920138880000000, 0.551284350000000 ] mass: 137.327000 - symbol: Ba # 71 coordinates: [ 0.831699880000000, 0.420138880000000, 0.448715650000000 ] mass: 137.327000 - symbol: Ba # 72 coordinates: [ 0.331699880000000, 0.079861120000000, 0.051284350000000 ] mass: 137.327000 - symbol: Ba # 73 coordinates: [ 0.895542070000000, 0.750000000000000, 0.100753380000000 ] mass: 137.327000 - symbol: Ba # 74 coordinates: [ 0.395542070000000, 0.750000000000000, 0.399246620000000 ] mass: 137.327000 - symbol: Ba # 75 coordinates: [ 0.604457930000000, 0.250000000000000, 0.600753380000000 ] mass: 137.327000 - symbol: Ba # 76 coordinates: [ 0.104457930000000, 0.250000000000000, 0.899246620000000 ] mass: 137.327000 - symbol: Ba # 77 coordinates: [ 0.469078140000000, 0.640914150000000, 0.186839450000000 ] mass: 137.327000 - symbol: Ba # 78 coordinates: [ 0.969078140000000, 0.859085850000000, 0.313160550000000 ] mass: 137.327000 - symbol: Ba # 79 coordinates: [ 0.030921860000000, 0.359085850000000, 0.686839450000000 ] mass: 137.327000 - symbol: Ba # 80 coordinates: [ 0.530921860000000, 0.140914150000000, 0.813160550000000 ] mass: 137.327000 - symbol: Ba # 81 coordinates: [ 0.530921860000000, 0.359085850000000, 0.813160550000000 ] mass: 137.327000 - symbol: Ba # 82 coordinates: [ 0.030921860000000, 0.140914150000000, 0.686839450000000 ] mass: 137.327000 - symbol: Ba # 83 coordinates: [ 0.969078140000000, 0.640914150000000, 0.313160550000000 ] mass: 137.327000 - symbol: Ba # 84 coordinates: [ 0.469078140000000, 0.859085850000000, 0.186839450000000 ] mass: 137.327000 - symbol: Au # 85 coordinates: [ 0.079643390000000, 0.583622920000000, 0.064436020000000 ] mass: 196.966569 - symbol: Au # 86 coordinates: [ 0.579643390000000, 0.916377080000000, 0.435563980000000 ] mass: 196.966569 - symbol: Au # 87 coordinates: [ 0.420356610000000, 0.416377080000000, 0.564436020000000 ] mass: 196.966569 - symbol: Au # 88 coordinates: [ 0.920356610000000, 0.083622920000000, 0.935563980000000 ] mass: 196.966569 - symbol: Au # 89 coordinates: [ 0.920356610000000, 0.416377080000000, 0.935563980000000 ] mass: 196.966569 - symbol: Au # 90 coordinates: [ 0.420356610000000, 0.083622920000000, 0.564436020000000 ] mass: 196.966569 - symbol: Au # 91 coordinates: [ 0.579643390000000, 0.583622920000000, 0.435563980000000 ] mass: 196.966569 - symbol: Au # 92 coordinates: [ 0.079643390000000, 0.916377080000000, 0.064436020000000 ] mass: 196.966569 reciprocal_lattice: # without 2pi - [ 0.140365320341187, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.058246837885763, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.070826001112883 ] # c*unit_cell: lattice: - [ 7.124266860000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.168313959999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.119108580000001 ] # c points: - symbol: O # 1 coordinates: [ 0.996592180000000, 0.347768930000000, 0.047579900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.496592180000000, 0.152231070000000, 0.452420100000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.503407820000000, 0.652231070000000, 0.547579900000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.003407820000000, 0.847768930000000, 0.952420100000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.003407820000000, 0.652231070000000, 0.952420100000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.503407820000000, 0.847768930000000, 0.547579900000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.496592180000000, 0.347768930000000, 0.452420100000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.996592180000000, 0.152231070000000, 0.047579900000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.294732220000000, 0.250000000000000, 0.727092800000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.794732220000000, 0.250000000000000, 0.772907200000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.205267780000000, 0.750000000000000, 0.227092800000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.705267780000000, 0.750000000000000, 0.272907200000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.337265630000000, 0.479563810000000, 0.676811020000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.837265630000000, 0.020436190000000, 0.823188980000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.162734370000000, 0.520436190000000, 0.176811020000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.662734370000000, 0.979563810000000, 0.323188980000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.662734370000000, 0.520436190000000, 0.323188980000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.162734370000000, 0.979563810000000, 0.176811020000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.837265630000000, 0.479563810000000, 0.823188980000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.337265630000000, 0.020436190000000, 0.676811020000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.177324650000000, 0.405427780000000, 0.876218280000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.677324650000000, 0.094572220000000, 0.623781720000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.322675350000000, 0.594572220000000, 0.376218280000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.822675350000000, 0.905427780000000, 0.123781720000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.822675350000000, 0.594572220000000, 0.123781720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.322675350000000, 0.905427780000000, 0.376218280000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.677324650000000, 0.405427780000000, 0.623781720000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.177324650000000, 0.094572220000000, 0.876218280000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.990334070000000, 0.154838960000000, 0.299749350000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.490334070000000, 0.345161040000000, 0.200250650000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.509665930000000, 0.845161040000000, 0.799749350000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.009665930000000, 0.654838960000000, 0.700250650000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.009665930000000, 0.845161040000000, 0.700250650000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.509665930000000, 0.654838960000000, 0.799749350000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.490334070000000, 0.154838960000000, 0.200250650000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.990334070000000, 0.345161040000000, 0.299749350000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.664045810000000, 0.424662700000000, 0.991420280000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.164045810000000, 0.075337300000000, 0.508579720000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.835954190000000, 0.575337300000000, 0.491420280000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.335954190000000, 0.924662700000000, 0.008579720000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.335954190000000, 0.575337300000000, 0.008579720000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.835954190000000, 0.924662700000000, 0.491420280000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.164045810000000, 0.424662700000000, 0.508579720000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.664045810000000, 0.075337300000000, 0.991420280000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.439882660000000, 0.250000000000000, 0.948149930000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.939882660000000, 0.250000000000000, 0.551850070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.060117340000000, 0.750000000000000, 0.448149930000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.560117340000000, 0.750000000000000, 0.051850070000000 ] mass: 15.999400 reduced_to: 48 - symbol: Ba # 49 coordinates: [ 0.184666110000000, 0.557140920000000, 0.822150690000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 50 coordinates: [ 0.684666110000000, 0.942859080000000, 0.677849310000000 ] mass: 137.327000 reduced_to: 50 - symbol: Ba # 51 coordinates: [ 0.315333890000000, 0.442859080000000, 0.322150690000000 ] mass: 137.327000 reduced_to: 51 - symbol: Ba # 52 coordinates: [ 0.815333890000000, 0.057140920000000, 0.177849310000000 ] mass: 137.327000 reduced_to: 52 - symbol: Ba # 53 coordinates: [ 0.815333890000000, 0.442859080000000, 0.177849310000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.315333890000000, 0.057140920000000, 0.322150690000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 55 coordinates: [ 0.684666110000000, 0.557140920000000, 0.677849310000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 56 coordinates: [ 0.184666110000000, 0.942859080000000, 0.822150690000000 ] mass: 137.327000 reduced_to: 56 - symbol: Ba # 57 coordinates: [ 0.160194540000000, 0.250000000000000, 0.180069140000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 58 coordinates: [ 0.660194540000000, 0.250000000000000, 0.319930860000000 ] mass: 137.327000 reduced_to: 58 - symbol: Ba # 59 coordinates: [ 0.339805460000000, 0.750000000000000, 0.680069140000000 ] mass: 137.327000 reduced_to: 59 - symbol: Ba # 60 coordinates: [ 0.839805460000000, 0.750000000000000, 0.819930860000000 ] mass: 137.327000 reduced_to: 60 - symbol: Ba # 61 coordinates: [ 0.175504930000000, 0.250000000000000, 0.435399680000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.675504930000000, 0.250000000000000, 0.064600320000000 ] mass: 137.327000 reduced_to: 62 - symbol: Ba # 63 coordinates: [ 0.324495070000000, 0.750000000000000, 0.935399680000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.824495070000000, 0.750000000000000, 0.564600320000000 ] mass: 137.327000 reduced_to: 64 - symbol: Ba # 65 coordinates: [ 0.331699880000000, 0.420138880000000, 0.051284350000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 66 coordinates: [ 0.831699880000000, 0.079861120000000, 0.448715650000000 ] mass: 137.327000 reduced_to: 66 - symbol: Ba # 67 coordinates: [ 0.168300120000000, 0.579861120000000, 0.551284350000000 ] mass: 137.327000 reduced_to: 67 - symbol: Ba # 68 coordinates: [ 0.668300120000000, 0.920138880000000, 0.948715650000000 ] mass: 137.327000 reduced_to: 68 - symbol: Ba # 69 coordinates: [ 0.668300120000000, 0.579861120000000, 0.948715650000000 ] mass: 137.327000 reduced_to: 69 - symbol: Ba # 70 coordinates: [ 0.168300120000000, 0.920138880000000, 0.551284350000000 ] mass: 137.327000 reduced_to: 70 - symbol: Ba # 71 coordinates: [ 0.831699880000000, 0.420138880000000, 0.448715650000000 ] mass: 137.327000 reduced_to: 71 - symbol: Ba # 72 coordinates: [ 0.331699880000000, 0.079861120000000, 0.051284350000000 ] mass: 137.327000 reduced_to: 72 - symbol: Ba # 73 coordinates: [ 0.895542070000000, 0.750000000000000, 0.100753380000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.395542070000000, 0.750000000000000, 0.399246620000000 ] mass: 137.327000 reduced_to: 74 - symbol: Ba # 75 coordinates: [ 0.604457930000000, 0.250000000000000, 0.600753380000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.104457930000000, 0.250000000000000, 0.899246620000000 ] mass: 137.327000 reduced_to: 76 - symbol: Ba # 77 coordinates: [ 0.469078140000000, 0.640914150000000, 0.186839450000000 ] mass: 137.327000 reduced_to: 77 - symbol: Ba # 78 coordinates: [ 0.969078140000000, 0.859085850000000, 0.313160550000000 ] mass: 137.327000 reduced_to: 78 - symbol: Ba # 79 coordinates: [ 0.030921860000000, 0.359085850000000, 0.686839450000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 80 coordinates: [ 0.530921860000000, 0.140914150000000, 0.813160550000000 ] mass: 137.327000 reduced_to: 80 - symbol: Ba # 81 coordinates: [ 0.530921860000000, 0.359085850000000, 0.813160550000000 ] mass: 137.327000 reduced_to: 81 - symbol: Ba # 82 coordinates: [ 0.030921860000000, 0.140914150000000, 0.686839450000000 ] mass: 137.327000 reduced_to: 82 - symbol: Ba # 83 coordinates: [ 0.969078140000000, 0.640914150000000, 0.313160550000000 ] mass: 137.327000 reduced_to: 83 - symbol: Ba # 84 coordinates: [ 0.469078140000000, 0.859085850000000, 0.186839450000000 ] mass: 137.327000 reduced_to: 84 - symbol: Au # 85 coordinates: [ 0.079643390000000, 0.583622920000000, 0.064436020000000 ] mass: 196.966569 reduced_to: 85 - symbol: Au # 86 coordinates: [ 0.579643390000000, 0.916377080000000, 0.435563980000000 ] mass: 196.966569 reduced_to: 86 - symbol: Au # 87 coordinates: [ 0.420356610000000, 0.416377080000000, 0.564436020000000 ] mass: 196.966569 reduced_to: 87 - symbol: Au # 88 coordinates: [ 0.920356610000000, 0.083622920000000, 0.935563980000000 ] mass: 196.966569 reduced_to: 88 - symbol: Au # 89 coordinates: [ 0.920356610000000, 0.416377080000000, 0.935563980000000 ] mass: 196.966569 reduced_to: 89 - symbol: Au # 90 coordinates: [ 0.420356610000000, 0.083622920000000, 0.564436020000000 ] mass: 196.966569 reduced_to: 90 - symbol: Au # 91 coordinates: [ 0.579643390000000, 0.583622920000000, 0.435563980000000 ] mass: 196.966569 reduced_to: 91 - symbol: Au # 92 coordinates: [ 0.079643390000000, 0.916377080000000, 0.064436020000000 ] mass: 196.966569 reduced_to: 92supercell: lattice: - [ 7.124266860000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.168313959999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.119108580000001 ] # c points: - symbol: O # 1 coordinates: [ 0.996592180000000, 0.347768930000000, 0.047579900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.496592180000000, 0.152231070000000, 0.452420100000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.503407820000000, 0.652231070000000, 0.547579900000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.003407820000000, 0.847768930000000, 0.952420100000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.003407820000000, 0.652231070000000, 0.952420100000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.503407820000000, 0.847768930000000, 0.547579900000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.496592180000000, 0.347768930000000, 0.452420100000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.996592180000000, 0.152231070000000, 0.047579900000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.294732220000000, 0.250000000000000, 0.727092800000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.794732220000000, 0.250000000000000, 0.772907200000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.205267780000000, 0.750000000000000, 0.227092800000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.705267780000000, 0.750000000000000, 0.272907200000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.337265630000000, 0.479563810000000, 0.676811020000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.837265630000000, 0.020436190000000, 0.823188980000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.162734370000000, 0.520436190000000, 0.176811020000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.662734370000000, 0.979563810000000, 0.323188980000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.662734370000000, 0.520436190000000, 0.323188980000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.162734370000000, 0.979563810000000, 0.176811020000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.837265630000000, 0.479563810000000, 0.823188980000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.337265630000000, 0.020436190000000, 0.676811020000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.177324650000000, 0.405427780000000, 0.876218280000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.677324650000000, 0.094572220000000, 0.623781720000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.322675350000000, 0.594572220000000, 0.376218280000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.822675350000000, 0.905427780000000, 0.123781720000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.822675350000000, 0.594572220000000, 0.123781720000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.322675350000000, 0.905427780000000, 0.376218280000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.677324650000000, 0.405427780000000, 0.623781720000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.177324650000000, 0.094572220000000, 0.876218280000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.990334070000000, 0.154838960000000, 0.299749350000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.490334070000000, 0.345161040000000, 0.200250650000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.509665930000000, 0.845161040000000, 0.799749350000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.009665930000000, 0.654838960000000, 0.700250650000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.009665930000000, 0.845161040000000, 0.700250650000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.509665930000000, 0.654838960000000, 0.799749350000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.490334070000000, 0.154838960000000, 0.200250650000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.990334070000000, 0.345161040000000, 0.299749350000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.664045810000000, 0.424662700000000, 0.991420280000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.164045810000000, 0.075337300000000, 0.508579720000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.835954190000000, 0.575337300000000, 0.491420280000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.335954190000000, 0.924662700000000, 0.008579720000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.335954190000000, 0.575337300000000, 0.008579720000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.835954190000000, 0.924662700000000, 0.491420280000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.164045810000000, 0.424662700000000, 0.508579720000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.664045810000000, 0.075337300000000, 0.991420280000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.439882660000000, 0.250000000000000, 0.948149930000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.939882660000000, 0.250000000000000, 0.551850070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.060117340000000, 0.750000000000000, 0.448149930000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.560117340000000, 0.750000000000000, 0.051850070000000 ] mass: 15.999400 reduced_to: 48 - symbol: Ba # 49 coordinates: [ 0.184666110000000, 0.557140920000000, 0.822150690000000 ] mass: 137.327000 reduced_to: 49 - symbol: Ba # 50 coordinates: [ 0.684666110000000, 0.942859080000000, 0.677849310000000 ] mass: 137.327000 reduced_to: 50 - symbol: Ba # 51 coordinates: [ 0.315333890000000, 0.442859080000000, 0.322150690000000 ] mass: 137.327000 reduced_to: 51 - symbol: Ba # 52 coordinates: [ 0.815333890000000, 0.057140920000000, 0.177849310000000 ] mass: 137.327000 reduced_to: 52 - symbol: Ba # 53 coordinates: [ 0.815333890000000, 0.442859080000000, 0.177849310000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.315333890000000, 0.057140920000000, 0.322150690000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 55 coordinates: [ 0.684666110000000, 0.557140920000000, 0.677849310000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 56 coordinates: [ 0.184666110000000, 0.942859080000000, 0.822150690000000 ] mass: 137.327000 reduced_to: 56 - symbol: Ba # 57 coordinates: [ 0.160194540000000, 0.250000000000000, 0.180069140000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 58 coordinates: [ 0.660194540000000, 0.250000000000000, 0.319930860000000 ] mass: 137.327000 reduced_to: 58 - symbol: Ba # 59 coordinates: [ 0.339805460000000, 0.750000000000000, 0.680069140000000 ] mass: 137.327000 reduced_to: 59 - symbol: Ba # 60 coordinates: [ 0.839805460000000, 0.750000000000000, 0.819930860000000 ] mass: 137.327000 reduced_to: 60 - symbol: Ba # 61 coordinates: [ 0.175504930000000, 0.250000000000000, 0.435399680000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.675504930000000, 0.250000000000000, 0.064600320000000 ] mass: 137.327000 reduced_to: 62 - symbol: Ba # 63 coordinates: [ 0.324495070000000, 0.750000000000000, 0.935399680000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.824495070000000, 0.750000000000000, 0.564600320000000 ] mass: 137.327000 reduced_to: 64 - symbol: Ba # 65 coordinates: [ 0.331699880000000, 0.420138880000000, 0.051284350000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 66 coordinates: [ 0.831699880000000, 0.079861120000000, 0.448715650000000 ] mass: 137.327000 reduced_to: 66 - symbol: Ba # 67 coordinates: [ 0.168300120000000, 0.579861120000000, 0.551284350000000 ] mass: 137.327000 reduced_to: 67 - symbol: Ba # 68 coordinates: [ 0.668300120000000, 0.920138880000000, 0.948715650000000 ] mass: 137.327000 reduced_to: 68 - symbol: Ba # 69 coordinates: [ 0.668300120000000, 0.579861120000000, 0.948715650000000 ] mass: 137.327000 reduced_to: 69 - symbol: Ba # 70 coordinates: [ 0.168300120000000, 0.920138880000000, 0.551284350000000 ] mass: 137.327000 reduced_to: 70 - symbol: Ba # 71 coordinates: [ 0.831699880000000, 0.420138880000000, 0.448715650000000 ] mass: 137.327000 reduced_to: 71 - symbol: Ba # 72 coordinates: [ 0.331699880000000, 0.079861120000000, 0.051284350000000 ] mass: 137.327000 reduced_to: 72 - symbol: Ba # 73 coordinates: [ 0.895542070000000, 0.750000000000000, 0.100753380000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.395542070000000, 0.750000000000000, 0.399246620000000 ] mass: 137.327000 reduced_to: 74 - symbol: Ba # 75 coordinates: [ 0.604457930000000, 0.250000000000000, 0.600753380000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.104457930000000, 0.250000000000000, 0.899246620000000 ] mass: 137.327000 reduced_to: 76 - symbol: Ba # 77 coordinates: [ 0.469078140000000, 0.640914150000000, 0.186839450000000 ] mass: 137.327000 reduced_to: 77 - symbol: Ba # 78 coordinates: [ 0.969078140000000, 0.859085850000000, 0.313160550000000 ] mass: 137.327000 reduced_to: 78 - symbol: Ba # 79 coordinates: [ 0.030921860000000, 0.359085850000000, 0.686839450000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 80 coordinates: [ 0.530921860000000, 0.140914150000000, 0.813160550000000 ] mass: 137.327000 reduced_to: 80 - symbol: Ba # 81 coordinates: [ 0.530921860000000, 0.359085850000000, 0.813160550000000 ] mass: 137.327000 reduced_to: 81 - symbol: Ba # 82 coordinates: [ 0.030921860000000, 0.140914150000000, 0.686839450000000 ] mass: 137.327000 reduced_to: 82 - symbol: Ba # 83 coordinates: [ 0.969078140000000, 0.640914150000000, 0.313160550000000 ] mass: 137.327000 reduced_to: 83 - symbol: Ba # 84 coordinates: [ 0.469078140000000, 0.859085850000000, 0.186839450000000 ] mass: 137.327000 reduced_to: 84 - symbol: Au # 85 coordinates: [ 0.079643390000000, 0.583622920000000, 0.064436020000000 ] mass: 196.966569 reduced_to: 85 - symbol: Au # 86 coordinates: [ 0.579643390000000, 0.916377080000000, 0.435563980000000 ] mass: 196.966569 reduced_to: 86 - symbol: Au # 87 coordinates: [ 0.420356610000000, 0.416377080000000, 0.564436020000000 ] mass: 196.966569 reduced_to: 87 - symbol: Au # 88 coordinates: [ 0.920356610000000, 0.083622920000000, 0.935563980000000 ] mass: 196.966569 reduced_to: 88 - symbol: Au # 89 coordinates: [ 0.920356610000000, 0.416377080000000, 0.935563980000000 ] mass: 196.966569 reduced_to: 89 - symbol: Au # 90 coordinates: [ 0.420356610000000, 0.083622920000000, 0.564436020000000 ] mass: 196.966569 reduced_to: 90 - symbol: Au # 91 coordinates: [ 0.579643390000000, 0.583622920000000, 0.435563980000000 ] mass: 196.966569 reduced_to: 91 - symbol: Au # 92 coordinates: [ 0.079643390000000, 0.916377080000000, 0.064436020000000 ] mass: 196.966569 reduced_to: 92displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0637993800000000, 0.0136639200000000, -0.0143620500000000 ] - [ -0.0002216200000000, -0.0002214500000000, -0.0001192700000000 ] - [ 0.0004275300000000, -0.0007695900000000, 0.0000193800000000 ] - [ 0.0001411600000000, 0.0001174100000000, -0.0001857100000000 ] - [ -0.0002265200000000, -0.0000577600000000, -0.0007451900000000 ] - [ 0.0001782300000000, -0.0000030000000000, 0.0002123200000000 ] - [ -0.0001582300000000, 0.0003537400000000, 0.0000962400000000 ] - [ -0.0015786300000000, -0.0004113900000000, -0.0001488800000000 ] - [ 0.0001692300000000, 0.0003871100000000, -0.0003307600000000 ] - [ -0.0009882000000000, 0.0005742400000000, -0.0001802600000000 ] - [ 0.0003131700000000, 0.0000633700000000, 0.0002975200000000 ] - [ 0.0003651500000000, -0.0000132500000000, -0.0000584100000000 ] - [ 0.0000241200000000, 0.0004925200000000, 0.0000601000000000 ] - [ -0.0001198300000000, -0.0003284000000000, -0.0001632400000000 ] - [ -0.0013947800000000, 0.0017587500000000, 0.0013139100000000 ] - [ 0.0000334700000000, 0.0000772200000000, -0.0000338700000000 ] - [ 0.0007831400000000, -0.0010011400000000, -0.0014050900000000 ] - [ 0.0001019000000000, 0.0001160400000000, 0.0000364900000000 ] - [ -0.0064994700000000, -0.0040736900000000, 0.0053138800000000 ] - [ -0.0000933100000000, -0.0002760600000000, 0.0000615400000000 ] - [ -0.0032222000000000, 0.0042034200000000, -0.0063060400000000 ] - [ -0.0004141200000000, -0.0002325600000000, -0.0000686600000000 ] - [ 0.0005971700000000, -0.0001733500000000, 0.0003810400000000 ] - [ 0.0003892800000000, 0.0001943100000000, -0.0001246000000000 ] - [ -0.0003000900000000, -0.0010624000000000, 0.0003765300000000 ] - [ 0.0003665300000000, 0.0002036300000000, 0.0001188000000000 ] - [ -0.0002237600000000, 0.0005377400000000, 0.0001752400000000 ] - [ -0.0003290900000000, -0.0010429000000000, 0.0003490100000000 ] - [ -0.0010455500000000, -0.0010577500000000, 0.0009712800000000 ] - [ 0.0040030100000000, -0.0014766300000000, 0.0013175000000000 ] - [ -0.0001533800000000, -0.0003390800000000, -0.0001740300000000 ] - [ -0.0004319200000000, -0.0002569800000000, 0.0001396500000000 ] - [ -0.0001573100000000, -0.0003891100000000, 0.0000566400000000 ] - [ 0.0000419500000000, -0.0002063200000000, -0.0003039800000000 ] - [ 0.0021303600000000, 0.0007341000000000, -0.0020506300000000 ] - [ -0.0015454300000000, 0.0009188900000000, 0.0007991500000000 ] - [ 0.0093460800000000, -0.0065275100000000, 0.0044671000000000 ] - [ 0.0002446900000000, -0.0000918000000000, 0.0001102300000000 ] - [ -0.0002776400000000, 0.0000723600000000, 0.0001028300000000 ] - [ -0.0001533000000000, -0.0000193700000000, 0.0001079600000000 ] - [ -0.0007738200000000, 0.0027874700000000, -0.0007419600000000 ] - [ -0.0001922000000000, -0.0001325700000000, -0.0000983600000000 ] - [ 0.0002459700000000, 0.0001196500000000, 0.0002663900000000 ] - [ 0.0000185000000000, 0.0006778700000000, 0.0002523000000000 ] - [ 0.0053707000000000, -0.0018811700000000, 0.0018335400000000 ] - [ -0.0001081600000000, 0.0001236400000000, -0.0000919900000000 ] - [ -0.0000238400000000, -0.0000780100000000, 0.0004641700000000 ] - [ 0.0000651400000000, 0.0000213700000000, -0.0004025200000000 ] - [ 0.0009107600000000, -0.0002233800000000, 0.0008922500000000 ] - [ -0.0004062200000000, 0.0004567900000000, -0.0002216600000000 ] - [ 0.0000451800000000, -0.0002313200000000, -0.0010562200000000 ] - [ 0.0007660000000000, -0.0003706000000000, 0.0001226700000000 ] - [ 0.0043610100000000, -0.0019478900000000, -0.0026770100000000 ] - [ 0.0002065400000000, -0.0000699800000000, 0.0002166800000000 ] - [ -0.0010081600000000, 0.0002701100000000, -0.0011820500000000 ] - [ -0.0004101500000000, 0.0004482700000000, 0.0002673500000000 ] - [ 0.0026629000000000, 0.0004271200000000, -0.0003103400000000 ] - [ 0.0000342600000000, 0.0000482400000000, 0.0009080000000000 ] - [ 0.0000301200000000, 0.0002936300000000, -0.0003184300000000 ] - [ 0.0001142100000000, 0.0002699600000000, 0.0005426400000000 ] - [ -0.0001505400000000, -0.0000862400000000, -0.0003508300000000 ] - [ 0.0015876000000000, 0.0029472000000000, -0.0014737200000000 ] - [ 0.0000195500000000, -0.0001312800000000, 0.0003486600000000 ] - [ 0.0001907300000000, 0.0002411800000000, -0.0002564300000000 ] - [ 0.0107465000000000, 0.0066109900000000, 0.0020666600000000 ] - [ -0.0000015500000000, 0.0001386500000000, 0.0001640300000000 ] - [ 0.0001034200000000, -0.0001048700000000, -0.0004806400000000 ] - [ 0.0001215300000000, 0.0000692500000000, 0.0003059700000000 ] - [ -0.0011639200000000, 0.0005859700000000, 0.0015386000000000 ] - [ 0.0000965300000000, 0.0001828300000000, -0.0003169000000000 ] - [ 0.0000525900000000, -0.0003879400000000, 0.0002896600000000 ] - [ -0.0007968100000000, -0.0000578400000000, -0.0003490300000000 ] - [ -0.0000144100000000, -0.0000665700000000, 0.0003727600000000 ] - [ -0.0001384000000000, 0.0001743100000000, -0.0005561200000000 ] - [ 0.0000879100000000, -0.0001877000000000, 0.0003085800000000 ] - [ 0.0020741300000000, -0.0002609700000000, -0.0010113500000000 ] - [ -0.0001006000000000, -0.0000893000000000, -0.0002641300000000 ] - [ 0.0002659000000000, -0.0001940200000000, -0.0001600000000000 ] - [ 0.0002202600000000, -0.0009800500000000, 0.0000703100000000 ] - [ -0.0004824000000000, 0.0002710200000000, -0.0002203100000000 ] - [ -0.0017043500000000, -0.0008393700000000, 0.0002545400000000 ] - [ -0.0001597700000000, 0.0004635300000000, 0.0004507600000000 ] - [ 0.0004930300000000, 0.0004086100000000, -0.0003328100000000 ] - [ 0.0002645400000000, -0.0002514200000000, 0.0000873200000000 ] - [ 0.0011464800000000, -0.0004986100000000, -0.0001082500000000 ] - [ -0.0000621300000000, -0.0000887800000000, 0.0002945200000000 ] - [ 0.0000358100000000, -0.0001770700000000, -0.0005664800000000 ] - [ 0.0005093000000000, 0.0002356700000000, 0.0003201100000000 ] - [ 0.0385565600000000, -0.0138050400000000, 0.0109632400000000 ] - [ 0.0001262300000000, 0.0001447100000000, -0.0003957300000000 ] - [ -0.0000593500000000, 0.0004019200000000, 0.0005539500000000 ] - [ -0.0000955000000000, -0.0001152700000000, -0.0003360100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0629416700000000, -0.0138060800000000, 0.0146990000000000 ] - [ -0.0001567800000000, -0.0001142400000000, -0.0001626000000000 ] - [ -0.0000450400000000, 0.0004318200000000, 0.0002762800000000 ] - [ 0.0002355900000000, 0.0002115800000000, -0.0001084400000000 ] - [ 0.0006035600000000, -0.0002799200000000, 0.0004541600000000 ] - [ 0.0001994400000000, 0.0003326800000000, 0.0000797800000000 ] - [ -0.0002200000000000, -0.0000157100000000, -0.0003756500000000 ] - [ 0.0012080300000000, 0.0000843600000000, 0.0004281800000000 ] - [ -0.0008661400000000, -0.0003867500000000, 0.0006864900000000 ] - [ 0.0003054200000000, -0.0005665500000000, -0.0001635200000000 ] - [ 0.0003744500000000, -0.0000636600000000, 0.0000443700000000 ] - [ 0.0003227700000000, 0.0000132800000000, -0.0002806400000000 ] - [ -0.0001823200000000, -0.0001286500000000, 0.0000710200000000 ] - [ -0.0000381300000000, -0.0000311100000000, 0.0000362000000000 ] - [ 0.0015336000000000, -0.0021009000000000, -0.0011856800000000 ] - [ 0.0001262300000000, 0.0002791100000000, -0.0000894700000000 ] - [ -0.0006252300000000, 0.0006465600000000, 0.0012905400000000 ] - [ 0.0000607200000000, 0.0002446400000000, 0.0000955300000000 ] - [ 0.0063977100000000, 0.0044300300000000, -0.0054717300000000 ] - [ -0.0000673400000000, -0.0000855600000000, 0.0000687900000000 ] - [ 0.0024640300000000, -0.0037184400000000, 0.0064386000000000 ] - [ -0.0003608400000000, -0.0002386300000000, -0.0001554200000000 ] - [ 0.0001855100000000, -0.0002983000000000, -0.0001534600000000 ] - [ 0.0003851300000000, 0.0002754900000000, -0.0000982700000000 ] - [ 0.0010824200000000, 0.0005877000000000, -0.0006036500000000 ] - [ 0.0004152300000000, 0.0002669500000000, 0.0001062900000000 ] - [ -0.0005516200000000, -0.0000611400000000, -0.0003957800000000 ] - [ -0.0004528500000000, 0.0005831300000000, -0.0001266700000000 ] - [ 0.0013786500000000, 0.0014158200000000, -0.0011582700000000 ] - [ -0.0036516700000000, 0.0011076400000000, -0.0010955600000000 ] - [ -0.0001841700000000, -0.0000272200000000, -0.0000203700000000 ] - [ 0.0000918600000000, 0.0006130100000000, 0.0000538000000000 ] - [ -0.0001795200000000, 0.0000230000000000, 0.0001357700000000 ] - [ -0.0003770300000000, 0.0005615100000000, 0.0001059700000000 ] - [ -0.0017913300000000, -0.0003902900000000, 0.0022632800000000 ] - [ 0.0018747600000000, -0.0012777500000000, -0.0010002100000000 ] - [ -0.0090482800000000, 0.0066798800000000, -0.0048347700000000 ] - [ 0.0001332100000000, 0.0001003000000000, 0.0001041900000000 ] - [ -0.0000954800000000, -0.0000662900000000, -0.0003087800000000 ] - [ -0.0002153900000000, 0.0000097800000000, 0.0000997600000000 ] - [ 0.0003824200000000, -0.0027443900000000, 0.0009456900000000 ] - [ -0.0001818400000000, 0.0001251800000000, -0.0001138300000000 ] - [ 0.0001308200000000, -0.0001278100000000, -0.0000520400000000 ] - [ 0.0003650900000000, -0.0006801100000000, -0.0004722800000000 ] - [ -0.0053422600000000, 0.0018614200000000, -0.0012107000000000 ] - [ 0.0001369000000000, -0.0001219000000000, -0.0005494500000000 ] - [ -0.0000055300000000, 0.0000769200000000, 0.0001861600000000 ] - [ -0.0000942900000000, -0.0000207200000000, -0.0002464700000000 ] - [ -0.0016963900000000, -0.0003475300000000, -0.0004359000000000 ] - [ -0.0003992800000000, 0.0001218300000000, -0.0002262400000000 ] - [ 0.0007609900000000, 0.0008027700000000, 0.0014862600000000 ] - [ 0.0000356100000000, -0.0001995300000000, -0.0005716800000000 ] - [ -0.0036074700000000, 0.0026201900000000, 0.0023291900000000 ] - [ 0.0005988900000000, -0.0005001700000000, 0.0002229200000000 ] - [ 0.0001918900000000, -0.0008341200000000, 0.0007152500000000 ] - [ -0.0003939300000000, 0.0001299300000000, 0.0001807600000000 ] - [ -0.0027006900000000, -0.0005363000000000, -0.0003412500000000 ] - [ -0.0001549000000000, -0.0000512000000000, -0.0001449400000000 ] - [ 0.0000845100000000, -0.0002899000000000, -0.0004571600000000 ] - [ -0.0000003500000000, -0.0002655300000000, 0.0002347800000000 ] - [ -0.0000789200000000, 0.0000835600000000, 0.0006642800000000 ] - [ -0.0020745300000000, -0.0031281200000000, 0.0011634000000000 ] - [ 0.0002148800000000, 0.0001307000000000, -0.0000231900000000 ] - [ 0.0000428000000000, -0.0002383200000000, -0.0000683700000000 ] - [ -0.0102515200000000, -0.0061298300000000, -0.0026398700000000 ] - [ -0.0001915800000000, -0.0002134600000000, 0.0004408800000000 ] - [ 0.0000952200000000, 0.0000306400000000, -0.0001311600000000 ] - [ 0.0000729200000000, 0.0000079100000000, 0.0003036200000000 ] - [ 0.0013351900000000, -0.0006580500000000, -0.0009036900000000 ] - [ 0.0000987300000000, -0.0001059300000000, -0.0002919600000000 ] - [ -0.0002455100000000, 0.0004602500000000, 0.0003125800000000 ] - [ 0.0006122700000000, -0.0000076900000000, -0.0002517100000000 ] - [ -0.0001901600000000, 0.0000659000000000, 0.0003972500000000 ] - [ -0.0000662700000000, -0.0001729900000000, -0.0002148200000000 ] - [ 0.0001196200000000, 0.0001841500000000, 0.0004584900000000 ] - [ -0.0018543600000000, 0.0002541300000000, 0.0002307600000000 ] - [ 0.0006490000000000, 0.0006217400000000, 0.0004773100000000 ] - [ 0.0002838700000000, -0.0003436400000000, -0.0000599000000000 ] - [ -0.0007628600000000, 0.0004338800000000, 0.0001382000000000 ] - [ -0.0000639500000000, 0.0002655900000000, 0.0000082200000000 ] - [ 0.0011383600000000, 0.0002886000000000, -0.0004555800000000 ] - [ -0.0003897800000000, 0.0000704000000000, -0.0002360700000000 ] - [ 0.0000570300000000, 0.0001299200000000, 0.0001100800000000 ] - [ 0.0002839500000000, -0.0002864600000000, 0.0001303000000000 ] - [ -0.0013614700000000, 0.0007508800000000, -0.0006323000000000 ] - [ -0.0001660700000000, -0.0001715400000000, 0.0004408500000000 ] - [ 0.0001911100000000, -0.0000857700000000, -0.0001751100000000 ] - [ -0.0002880700000000, 0.0000264100000000, 0.0004188900000000 ] - [ -0.0383271400000000, 0.0136475800000000, -0.0102778800000000 ] - [ 0.0001034200000000, 0.0001161900000000, -0.0003411100000000 ] - [ -0.0001741500000000, -0.0001411200000000, 0.0001789000000000 ] - [ -0.0001330200000000, -0.0001456800000000, -0.0003994000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0138338200000000, -0.0791057100000000, 0.0435479800000000 ] - [ -0.0001351600000000, -0.0002286600000000, -0.0005028100000000 ] - [ -0.0004121300000000, 0.0011095100000000, 0.0000839300000000 ] - [ 0.0002354200000000, 0.0013694300000000, 0.0001810300000000 ] - [ 0.0003000700000000, 0.0010635900000000, -0.0004117600000000 ] - [ 0.0003566300000000, 0.0011381600000000, -0.0001619600000000 ] - [ -0.0000041200000000, -0.0011171500000000, -0.0007248000000000 ] - [ 0.0000575600000000, 0.0060162600000000, 0.0016070400000000 ] - [ -0.0017877700000000, -0.0021790100000000, 0.0031251500000000 ] - [ 0.0009248100000000, -0.0022907800000000, 0.0012923900000000 ] - [ 0.0003388100000000, 0.0012484300000000, 0.0003261600000000 ] - [ 0.0003559500000000, 0.0011021900000000, -0.0000260500000000 ] - [ -0.0000340600000000, -0.0008024700000000, -0.0009031700000000 ] - [ 0.0004775800000000, 0.0011532400000000, 0.0015157500000000 ] - [ 0.0009496100000000, 0.0013993600000000, 0.0014512500000000 ] - [ 0.0001994000000000, 0.0011676300000000, -0.0006765100000000 ] - [ -0.0008119800000000, 0.0006388800000000, 0.0020544500000000 ] - [ 0.0000855700000000, 0.0014031000000000, 0.0001172900000000 ] - [ -0.0031805700000000, -0.0009030200000000, -0.0083843800000000 ] - [ -0.0000544400000000, 0.0003073600000000, 0.0002849000000000 ] - [ 0.0022376300000000, -0.0035429500000000, -0.0013564100000000 ] - [ -0.0003082500000000, -0.0002140300000000, 0.0000450400000000 ] - [ 0.0003020400000000, -0.0002410500000000, 0.0001674700000000 ] - [ 0.0004936800000000, 0.0013344500000000, -0.0002364000000000 ] - [ 0.0002635000000000, 0.0008524600000000, 0.0002611900000000 ] - [ 0.0004065000000000, 0.0010229000000000, 0.0000979600000000 ] - [ -0.0008748900000000, -0.0008967100000000, -0.0009279300000000 ] - [ -0.0007957000000000, 0.0014233400000000, 0.0004464800000000 ] - [ 0.0016767200000000, 0.0015447500000000, -0.0024444400000000 ] - [ -0.0006192100000000, -0.0052430900000000, 0.0002939100000000 ] - [ -0.0000875600000000, 0.0011826900000000, 0.0000811300000000 ] - [ 0.0000712600000000, 0.0015330500000000, -0.0004297000000000 ] - [ -0.0000712700000000, 0.0010884500000000, 0.0001760900000000 ] - [ -0.0004254300000000, 0.0017977300000000, -0.0004035500000000 ] - [ -0.0008065900000000, 0.0020389200000000, -0.0021162300000000 ] - [ 0.0014450500000000, -0.0042651600000000, -0.0016654500000000 ] - [ -0.0001018600000000, -0.0017983100000000, -0.0019315100000000 ] - [ 0.0001749900000000, 0.0002474700000000, -0.0000672200000000 ] - [ 0.0000959300000000, -0.0001797500000000, -0.0005018500000000 ] - [ -0.0000945900000000, 0.0009887300000000, 0.0000455400000000 ] - [ -0.0004929100000000, 0.0005409800000000, 0.0002763000000000 ] - [ -0.0002334800000000, 0.0005205000000000, -0.0000404400000000 ] - [ -0.0000351800000000, -0.0005046500000000, -0.0001155200000000 ] - [ 0.0002935600000000, 0.0010967600000000, 0.0001803400000000 ] - [ -0.0003683100000000, -0.0021266000000000, 0.0044886800000000 ] - [ 0.0001863200000000, -0.0008818700000000, -0.0006719900000000 ] - [ 0.0000349300000000, 0.0006814800000000, 0.0003066500000000 ] - [ -0.0000468900000000, 0.0011668100000000, -0.0002324300000000 ] - [ -0.0021840100000000, -0.0016833500000000, 0.0009697100000000 ] - [ -0.0004993900000000, -0.0007995100000000, -0.0005809700000000 ] - [ 0.0005438300000000, 0.0021186900000000, -0.0005549500000000 ] - [ 0.0003153900000000, -0.0024063900000000, 0.0006133800000000 ] - [ -0.0018990700000000, 0.0075543600000000, 0.0009945300000000 ] - [ 0.0005593100000000, -0.0016221500000000, 0.0010986800000000 ] - [ 0.0007900200000000, -0.0014527200000000, 0.0021071400000000 ] - [ -0.0001125200000000, -0.0012381000000000, -0.0002155300000000 ] - [ -0.0010091800000000, 0.0041079700000000, -0.0000888600000000 ] - [ -0.0002525100000000, 0.0015751300000000, 0.0019845900000000 ] - [ 0.0001189100000000, -0.0013493200000000, -0.0002680000000000 ] - [ 0.0000273700000000, -0.0017170200000000, 0.0004429700000000 ] - [ -0.0001420200000000, 0.0008719500000000, 0.0011539300000000 ] - [ -0.0001805300000000, 0.0057577800000000, -0.0019610300000000 ] - [ 0.0001192300000000, -0.0014725900000000, 0.0001542100000000 ] - [ 0.0000432900000000, -0.0010002900000000, 0.0000081400000000 ] - [ 0.0060325100000000, 0.0091362600000000, 0.0005510300000000 ] - [ -0.0002767500000000, -0.0005010500000000, 0.0008444900000000 ] - [ 0.0000606300000000, 0.0000869100000000, 0.0000784500000000 ] - [ -0.0001624900000000, -0.0015774400000000, 0.0002540500000000 ] - [ 0.0010497400000000, -0.0023117900000000, -0.0006453100000000 ] - [ 0.0000093500000000, -0.0007866000000000, -0.0002904400000000 ] - [ -0.0004096500000000, 0.0013491900000000, 0.0004460500000000 ] - [ 0.0001645500000000, -0.0022474000000000, -0.0004042400000000 ] - [ -0.0000639200000000, -0.0017496500000000, 0.0002746500000000 ] - [ -0.0000982400000000, -0.0010086800000000, -0.0003892100000000 ] - [ 0.0001814500000000, 0.0010759700000000, 0.0002448200000000 ] - [ 0.0006087700000000, 0.0074574200000000, 0.0002069200000000 ] - [ 0.0002068800000000, -0.0010120000000000, -0.0004636000000000 ] - [ 0.0003041600000000, -0.0014122600000000, -0.0000246500000000 ] - [ -0.0011127900000000, 0.0029344000000000, 0.0011040200000000 ] - [ 0.0001824500000000, -0.0000795700000000, -0.0014866900000000 ] - [ 0.0013853400000000, 0.0045244300000000, 0.0000433600000000 ] - [ -0.0005300500000000, 0.0000711700000000, -0.0011180200000000 ] - [ 0.0002157200000000, -0.0006836300000000, -0.0006667900000000 ] - [ 0.0003117200000000, -0.0015799200000000, 0.0002251600000000 ] - [ 0.0004077400000000, 0.0002107300000000, 0.0004946800000000 ] - [ -0.0003315400000000, -0.0003716600000000, 0.0008577900000000 ] - [ 0.0001878000000000, 0.0002142200000000, 0.0003554200000000 ] - [ -0.0007520500000000, -0.0005338500000000, -0.0019312700000000 ] - [ -0.0173597300000000, 0.0503221000000000, -0.0408062500000000 ] - [ 0.0000436500000000, 0.0000783100000000, -0.0002948100000000 ] - [ 0.0000038100000000, -0.0001541900000000, 0.0001041200000000 ] - [ -0.0005121900000000, -0.0003534900000000, -0.0009432900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0136479500000000, 0.0788973700000000, -0.0416129800000000 ] - [ -0.0002436700000000, -0.0001039600000000, 0.0002148300000000 ] - [ 0.0007897400000000, -0.0014419100000000, 0.0002088600000000 ] - [ 0.0001415300000000, -0.0010418700000000, -0.0004733600000000 ] - [ 0.0000782200000000, -0.0014035800000000, 0.0001262200000000 ] - [ 0.0000207800000000, -0.0008079100000000, 0.0004523400000000 ] - [ -0.0003743300000000, 0.0014529800000000, 0.0004371800000000 ] - [ -0.0004394300000000, -0.0064137300000000, -0.0013339300000000 ] - [ 0.0011087900000000, 0.0021843700000000, -0.0027963800000000 ] - [ -0.0016172200000000, 0.0022932300000000, -0.0016365100000000 ] - [ 0.0003483600000000, -0.0012513600000000, 0.0000129100000000 ] - [ 0.0003301800000000, -0.0011038000000000, -0.0003143800000000 ] - [ -0.0001268100000000, 0.0011616100000000, 0.0010342100000000 ] - [ -0.0006390700000000, -0.0015136600000000, -0.0016488300000000 ] - [ -0.0007805900000000, -0.0017490200000000, -0.0013195800000000 ] - [ -0.0000414400000000, -0.0008123700000000, 0.0005521900000000 ] - [ 0.0009668400000000, -0.0009894900000000, -0.0021689800000000 ] - [ 0.0000758600000000, -0.0010444600000000, 0.0000146300000000 ] - [ 0.0029682800000000, 0.0012600500000000, 0.0080945900000000 ] - [ -0.0001047100000000, -0.0006658400000000, -0.0001585900000000 ] - [ -0.0030070900000000, 0.0039878900000000, 0.0016236000000000 ] - [ -0.0004733900000000, -0.0002587700000000, -0.0002700500000000 ] - [ 0.0004799900000000, -0.0002335000000000, 0.0000556200000000 ] - [ 0.0002838400000000, -0.0008648900000000, 0.0000135000000000 ] - [ 0.0005254400000000, -0.0013312300000000, -0.0004891500000000 ] - [ 0.0003774500000000, -0.0005506600000000, 0.0001258800000000 ] - [ 0.0000907400000000, 0.0013706000000000, 0.0006998600000000 ] - [ 0.0000099600000000, -0.0018943900000000, -0.0002209600000000 ] - [ -0.0013476100000000, -0.0011870200000000, 0.0022568500000000 ] - [ 0.0009540300000000, 0.0048935900000000, -0.0001122700000000 ] - [ -0.0002506200000000, -0.0015497400000000, -0.0002735000000000 ] - [ -0.0004068600000000, -0.0011723900000000, 0.0006246300000000 ] - [ -0.0002664700000000, -0.0014547600000000, 0.0000162800000000 ] - [ 0.0000872500000000, -0.0014377800000000, 0.0002149700000000 ] - [ 0.0011570900000000, -0.0016825600000000, 0.0023104200000000 ] - [ -0.0011055000000000, 0.0039208100000000, 0.0014406700000000 ] - [ 0.0004825900000000, 0.0017614200000000, 0.0017263800000000 ] - [ 0.0002029800000000, -0.0002391500000000, 0.0002801100000000 ] - [ -0.0004705200000000, 0.0001857300000000, 0.0002892700000000 ] - [ -0.0002768000000000, -0.0009993800000000, 0.0001642700000000 ] - [ 0.0001169200000000, -0.0005466400000000, -0.0000596300000000 ] - [ -0.0001433400000000, -0.0005286800000000, -0.0001739800000000 ] - [ 0.0004098300000000, 0.0004966500000000, 0.0003247300000000 ] - [ 0.0000853800000000, -0.0010880200000000, -0.0003942600000000 ] - [ 0.0003973200000000, 0.0021421900000000, -0.0038491700000000 ] - [ -0.0001585500000000, 0.0008837500000000, 0.0000223800000000 ] - [ -0.0000640000000000, -0.0006828200000000, 0.0003414300000000 ] - [ 0.0000174800000000, -0.0011696600000000, -0.0004170100000000 ] - [ 0.0013804300000000, 0.0011135600000000, -0.0005299200000000 ] - [ -0.0003058900000000, 0.0013786800000000, 0.0001340600000000 ] - [ 0.0002657600000000, -0.0015365700000000, 0.0010077300000000 ] - [ 0.0004913400000000, 0.0018350700000000, -0.0010652300000000 ] - [ 0.0025734400000000, -0.0068505000000000, -0.0012505900000000 ] - [ 0.0002437100000000, 0.0010495000000000, -0.0006561800000000 ] - [ -0.0015953200000000, 0.0008759700000000, -0.0025570200000000 ] - [ -0.0006936300000000, 0.0018188200000000, 0.0006636800000000 ] - [ 0.0010312300000000, -0.0042918700000000, -0.0004732100000000 ] - [ 0.0001357100000000, -0.0015837400000000, -0.0012133800000000 ] - [ -0.0000045200000000, 0.0013509700000000, -0.0005087200000000 ] - [ 0.0000856400000000, 0.0017212700000000, 0.0003304500000000 ] - [ -0.0000868500000000, -0.0008771100000000, -0.0008376400000000 ] - [ -0.0002280000000000, -0.0058742100000000, 0.0016770000000000 ] - [ 0.0001141900000000, 0.0014769900000000, 0.0001657700000000 ] - [ 0.0001878700000000, 0.0010008600000000, -0.0003294100000000 ] - [ -0.0060324400000000, -0.0090089800000000, -0.0011303200000000 ] - [ 0.0000842700000000, 0.0004240800000000, -0.0002368700000000 ] - [ 0.0001355000000000, -0.0001621700000000, -0.0006867200000000 ] - [ 0.0003566900000000, 0.0016575500000000, 0.0003533000000000 ] - [ -0.0008555600000000, 0.0022451100000000, 0.0012506400000000 ] - [ 0.0001842600000000, 0.0008639500000000, -0.0003171700000000 ] - [ 0.0002152100000000, -0.0012723700000000, 0.0001641600000000 ] - [ -0.0003623900000000, 0.0021777900000000, -0.0002020800000000 ] - [ -0.0001396200000000, 0.0017538600000000, 0.0004949300000000 ] - [ -0.0001051900000000, 0.0010091700000000, -0.0003778800000000 ] - [ 0.0000223800000000, -0.0010785300000000, 0.0005252900000000 ] - [ -0.0003389000000000, -0.0076167900000000, -0.0011884000000000 ] - [ 0.0003415500000000, 0.0015525800000000, 0.0006841300000000 ] - [ 0.0002449400000000, 0.0008761000000000, -0.0001942000000000 ] - [ 0.0005612000000000, -0.0034759800000000, -0.0008842300000000 ] - [ -0.0007326200000000, 0.0006162700000000, 0.0012696000000000 ] - [ -0.0019227700000000, -0.0050705100000000, -0.0002683900000000 ] - [ -0.0000177800000000, 0.0004663400000000, 0.0013403200000000 ] - [ 0.0003335600000000, 0.0012229100000000, 0.0004488500000000 ] - [ 0.0002360000000000, 0.0010444000000000, -0.0000072800000000 ] - [ -0.0006366800000000, 0.0000454000000000, -0.0012255800000000 ] - [ 0.0001027000000000, 0.0001109100000000, -0.0001226500000000 ] - [ 0.0000415000000000, -0.0004758400000000, -0.0010910900000000 ] - [ 0.0009845000000000, 0.0007939300000000, 0.0026802800000000 ] - [ 0.0169478600000000, -0.0496749000000000, 0.0398078900000000 ] - [ 0.0001862000000000, 0.0001803900000000, -0.0004371000000000 ] - [ -0.0002343600000000, 0.0004175800000000, 0.0006289300000000 ] - [ 0.0002839600000000, 0.0000928400000000, 0.0002089300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0142180100000000, 0.0415674000000000, -0.1023739900000000 ] - [ -0.0002111800000000, -0.0005266300000000, 0.0007940900000000 ] - [ 0.0003171300000000, -0.0001014500000000, 0.0023139800000000 ] - [ 0.0001496000000000, -0.0001613200000000, -0.0005619700000000 ] - [ -0.0004090200000000, -0.0004359500000000, -0.0017340600000000 ] - [ 0.0001228200000000, -0.0001395100000000, 0.0005329900000000 ] - [ -0.0004258600000000, 0.0007469700000000, 0.0014816100000000 ] - [ -0.0004815700000000, -0.0016174600000000, -0.0030121400000000 ] - [ -0.0016144400000000, 0.0005403800000000, 0.0025819400000000 ] - [ 0.0005678800000000, 0.0013695800000000, 0.0011637600000000 ] - [ 0.0003257100000000, 0.0000921700000000, 0.0000609000000000 ] - [ 0.0003061700000000, 0.0001477100000000, -0.0002067900000000 ] - [ -0.0001744100000000, 0.0006882100000000, 0.0016070600000000 ] - [ -0.0002373800000000, -0.0003745900000000, -0.0006332500000000 ] - [ 0.0012278500000000, 0.0027958500000000, -0.0008808100000000 ] - [ 0.0000456000000000, -0.0003345200000000, 0.0002576300000000 ] - [ -0.0011212700000000, 0.0023255200000000, 0.0032439300000000 ] - [ 0.0001269800000000, -0.0003267400000000, -0.0003106900000000 ] - [ 0.0047090300000000, -0.0099727400000000, 0.0037787500000000 ] - [ -0.0002498200000000, -0.0002339500000000, 0.0005148000000000 ] - [ -0.0014809200000000, -0.0016566800000000, 0.0016204300000000 ] - [ -0.0002496900000000, 0.0000672000000000, 0.0004285400000000 ] - [ 0.0004545400000000, 0.0001923000000000, 0.0005788900000000 ] - [ 0.0004318100000000, -0.0000604800000000, -0.0003002700000000 ] - [ 0.0007213800000000, 0.0016312800000000, -0.0019730500000000 ] - [ 0.0004165700000000, -0.0000121400000000, 0.0002396400000000 ] - [ 0.0002883300000000, 0.0006555900000000, 0.0016933500000000 ] - [ -0.0004367600000000, 0.0021611700000000, -0.0006546700000000 ] - [ -0.0017955400000000, -0.0025142000000000, 0.0022257900000000 ] - [ 0.0003897400000000, 0.0002404600000000, -0.0000577500000000 ] - [ -0.0002005900000000, -0.0006346600000000, -0.0001558100000000 ] - [ -0.0005869600000000, -0.0012525300000000, 0.0010736600000000 ] - [ -0.0001385600000000, -0.0005975800000000, 0.0003243600000000 ] - [ 0.0000851000000000, -0.0014186500000000, -0.0000601300000000 ] - [ 0.0022785500000000, -0.0018166100000000, -0.0005022000000000 ] - [ -0.0002194400000000, 0.0000257900000000, 0.0067810000000000 ] - [ 0.0033036800000000, 0.0008673600000000, -0.0070080800000000 ] - [ 0.0004240000000000, -0.0001234300000000, 0.0007353900000000 ] - [ -0.0000353700000000, 0.0002380100000000, 0.0010011000000000 ] - [ -0.0001131500000000, -0.0002004000000000, -0.0001210800000000 ] - [ 0.0006834100000000, 0.0003352800000000, -0.0011549600000000 ] - [ -0.0001194500000000, -0.0002529500000000, 0.0000668300000000 ] - [ 0.0008721200000000, 0.0001218700000000, 0.0014915400000000 ] - [ 0.0006605600000000, -0.0001893800000000, -0.0009104200000000 ] - [ -0.0040536900000000, 0.0013752200000000, -0.0045014800000000 ] - [ -0.0007202400000000, 0.0003264400000000, 0.0017888100000000 ] - [ -0.0001396700000000, -0.0000134500000000, 0.0007932400000000 ] - [ -0.0001197700000000, -0.0002398100000000, -0.0009504300000000 ] - [ 0.0022598400000000, 0.0021487700000000, 0.0002113200000000 ] - [ -0.0004224600000000, 0.0004454400000000, -0.0004379200000000 ] - [ -0.0003589000000000, -0.0012523400000000, -0.0018440900000000 ] - [ 0.0004712600000000, 0.0009699200000000, 0.0004184400000000 ] - [ 0.0001340100000000, -0.0008238200000000, 0.0047240100000000 ] - [ 0.0001573200000000, 0.0009463800000000, -0.0004554700000000 ] - [ -0.0020123500000000, 0.0016623400000000, -0.0038182700000000 ] - [ -0.0004710500000000, 0.0002681400000000, 0.0002717200000000 ] - [ 0.0008470600000000, 0.0012661000000000, 0.0039543100000000 ] - [ 0.0007835500000000, 0.0009178500000000, -0.0014081000000000 ] - [ 0.0000986000000000, 0.0006846000000000, -0.0008412200000000 ] - [ 0.0001631100000000, 0.0010452800000000, 0.0006202000000000 ] - [ -0.0002406700000000, 0.0002722400000000, -0.0022922100000000 ] - [ 0.0013284300000000, -0.0010263300000000, 0.0055817700000000 ] - [ 0.0000377300000000, 0.0005107100000000, 0.0006277400000000 ] - [ 0.0000889600000000, 0.0003824600000000, -0.0007346300000000 ] - [ -0.0015607200000000, -0.0006635200000000, 0.0045226500000000 ] - [ 0.0001105400000000, 0.0004387600000000, -0.0006617700000000 ] - [ 0.0002793200000000, 0.0000194100000000, -0.0015406900000000 ] - [ 0.0001318000000000, 0.0002118700000000, 0.0005692000000000 ] - [ -0.0015735100000000, 0.0024697100000000, 0.0036790900000000 ] - [ 0.0001017700000000, 0.0002354200000000, -0.0006245900000000 ] - [ 0.0003225500000000, -0.0006179600000000, -0.0022991200000000 ] - [ -0.0000213300000000, 0.0008243100000000, 0.0011870100000000 ] - [ -0.0000342800000000, 0.0000751700000000, 0.0007619700000000 ] - [ -0.0000348500000000, -0.0000555000000000, -0.0005939100000000 ] - [ 0.0003023500000000, -0.0004288900000000, -0.0009639700000000 ] - [ 0.0000489400000000, 0.0034779000000000, 0.0086715100000000 ] - [ 0.0004023900000000, -0.0003926300000000, 0.0006829600000000 ] - [ 0.0002430700000000, -0.0000537800000000, -0.0001886600000000 ] - [ 0.0001937200000000, -0.0015107800000000, -0.0027180900000000 ] - [ -0.0000250200000000, -0.0006779500000000, 0.0002056800000000 ] - [ -0.0015829000000000, -0.0023330300000000, -0.0003616600000000 ] - [ -0.0005186400000000, -0.0008243600000000, -0.0012582600000000 ] - [ 0.0001497300000000, -0.0005069200000000, -0.0004592400000000 ] - [ 0.0002732300000000, -0.0000394800000000, 0.0002941000000000 ] - [ -0.0004115400000000, -0.0011177200000000, 0.0015232300000000 ] - [ -0.0000682800000000, 0.0000445500000000, 0.0000237000000000 ] - [ -0.0003404400000000, -0.0008043500000000, -0.0015929900000000 ] - [ -0.0006148400000000, 0.0003293800000000, 0.0014253500000000 ] - [ 0.0121029100000000, -0.0392930200000000, 0.0759937400000000 ] - [ -0.0000078600000000, 0.0004326000000000, -0.0008871200000000 ] - [ 0.0000266300000000, -0.0010191000000000, -0.0011022000000000 ] - [ -0.0001150000000000, 0.0000582500000000, 0.0000244600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0148611300000000, -0.0436122700000000, 0.1055042100000000 ] - [ -0.0001667300000000, 0.0001893300000000, -0.0010806300000000 ] - [ 0.0000596300000000, -0.0002266300000000, -0.0020233500000000 ] - [ 0.0002267700000000, 0.0004938900000000, 0.0002713200000000 ] - [ 0.0007899700000000, 0.0001013100000000, 0.0014541600000000 ] - [ 0.0002552500000000, 0.0004738200000000, -0.0002440900000000 ] - [ 0.0000470000000000, -0.0004146800000000, -0.0017686800000000 ] - [ 0.0000966500000000, 0.0013229800000000, 0.0033040900000000 ] - [ 0.0009326600000000, -0.0005359700000000, -0.0022415500000000 ] - [ -0.0012591900000000, -0.0013682600000000, -0.0014979900000000 ] - [ 0.0003615500000000, -0.0000913500000000, 0.0002771700000000 ] - [ 0.0003797100000000, -0.0001457800000000, -0.0001339500000000 ] - [ 0.0000120000000000, -0.0003322100000000, -0.0014773000000000 ] - [ 0.0000797000000000, 0.0000210100000000, 0.0005147200000000 ] - [ -0.0010606700000000, -0.0031514300000000, 0.0009873500000000 ] - [ 0.0001134100000000, 0.0006932100000000, -0.0003857600000000 ] - [ 0.0012749500000000, -0.0026747900000000, -0.0033570900000000 ] - [ 0.0000347100000000, 0.0006913700000000, 0.0004418600000000 ] - [ -0.0049973600000000, 0.0105407500000000, -0.0040333300000000 ] - [ 0.0000896900000000, -0.0001250600000000, -0.0003837400000000 ] - [ 0.0006945100000000, 0.0021631400000000, -0.0013980400000000 ] - [ -0.0005293100000000, -0.0005403400000000, -0.0006500000000000 ] - [ 0.0003249600000000, -0.0006644400000000, -0.0003575300000000 ] - [ 0.0003438400000000, 0.0005339900000000, 0.0000767900000000 ] - [ 0.0000734000000000, -0.0020969000000000, 0.0017398300000000 ] - [ 0.0003652800000000, 0.0004864700000000, -0.0000163600000000 ] - [ -0.0010726800000000, -0.0001891500000000, -0.0019182900000000 ] - [ -0.0003462400000000, -0.0026523500000000, 0.0008906700000000 ] - [ 0.0021209200000000, 0.0028645500000000, -0.0024134200000000 ] - [ -0.0000520300000000, -0.0006017200000000, 0.0002163700000000 ] - [ -0.0001371000000000, 0.0002743400000000, -0.0000346500000000 ] - [ 0.0002536400000000, 0.0016221600000000, -0.0008832500000000 ] - [ -0.0001995500000000, 0.0002373200000000, -0.0001313100000000 ] - [ -0.0004262900000000, 0.0017887200000000, -0.0001292500000000 ] - [ -0.0019183400000000, 0.0021779200000000, 0.0006709100000000 ] - [ 0.0005527700000000, -0.0003905200000000, -0.0069126700000000 ] - [ -0.0029255100000000, -0.0009537400000000, 0.0068917500000000 ] - [ -0.0000461300000000, 0.0001303900000000, -0.0005229600000000 ] - [ -0.0003378300000000, -0.0002280400000000, -0.0012157700000000 ] - [ -0.0002554700000000, 0.0001943100000000, 0.0003305300000000 ] - [ -0.0010592200000000, -0.0003488600000000, 0.0013755500000000 ] - [ -0.0002568200000000, 0.0002460200000000, -0.0002803000000000 ] - [ -0.0004959300000000, -0.0001296400000000, -0.0012790800000000 ] - [ -0.0002848400000000, 0.0002040500000000, 0.0006991400000000 ] - [ 0.0040878100000000, -0.0013575600000000, 0.0051810300000000 ] - [ 0.0007469600000000, -0.0003288900000000, -0.0024311000000000 ] - [ 0.0001106800000000, 0.0000149500000000, -0.0001464000000000 ] - [ 0.0000899000000000, 0.0002414500000000, 0.0003023600000000 ] - [ -0.0030825500000000, -0.0027261400000000, 0.0002282400000000 ] - [ -0.0003842700000000, 0.0001293700000000, -0.0000123000000000 ] - [ 0.0011563800000000, 0.0018223500000000, 0.0022910100000000 ] - [ 0.0003359100000000, -0.0015514000000000, -0.0008585100000000 ] - [ 0.0005265300000000, 0.0015840500000000, -0.0049663100000000 ] - [ 0.0006439400000000, -0.0015193600000000, 0.0009024900000000 ] - [ 0.0012141100000000, -0.0022460100000000, 0.0033836800000000 ] - [ -0.0003327400000000, 0.0003063600000000, 0.0001734400000000 ] - [ -0.0008327000000000, -0.0014541400000000, -0.0044853400000000 ] - [ -0.0008872400000000, -0.0009075000000000, 0.0021845300000000 ] - [ 0.0000151100000000, -0.0006893600000000, 0.0000659600000000 ] - [ -0.0000504400000000, -0.0010511500000000, 0.0001510900000000 ] - [ 0.0000052800000000, -0.0002664700000000, 0.0026037100000000 ] - [ -0.0015772900000000, 0.0010005700000000, -0.0058822700000000 ] - [ 0.0001966700000000, -0.0005118600000000, -0.0003089500000000 ] - [ 0.0001429400000000, -0.0003867300000000, 0.0004140800000000 ] - [ 0.0013406700000000, 0.0007220200000000, -0.0051227500000000 ] - [ -0.0003028800000000, -0.0005133200000000, 0.0012703000000000 ] - [ -0.0000844500000000, -0.0000960400000000, 0.0009345900000000 ] - [ 0.0000610600000000, -0.0001407400000000, 0.0000378900000000 ] - [ 0.0017867000000000, -0.0025476900000000, -0.0030935800000000 ] - [ 0.0000919300000000, -0.0001610000000000, 0.0000168400000000 ] - [ -0.0005135800000000, 0.0006909300000000, 0.0029005200000000 ] - [ -0.0001756000000000, -0.0009066600000000, -0.0017915100000000 ] - [ -0.0001715300000000, -0.0000769900000000, 0.0000080300000000 ] - [ -0.0001700500000000, 0.0000522600000000, -0.0001734800000000 ] - [ -0.0000972300000000, 0.0004319000000000, 0.0017291800000000 ] - [ 0.0002746700000000, -0.0037723200000000, -0.0097944200000000 ] - [ 0.0001504500000000, 0.0009309500000000, -0.0004618700000000 ] - [ 0.0003057600000000, -0.0004872800000000, -0.0000287300000000 ] - [ -0.0007453400000000, 0.0009784700000000, 0.0029312500000000 ] - [ -0.0005291600000000, 0.0012134600000000, -0.0004329200000000 ] - [ 0.0010430600000000, 0.0018037700000000, 0.0001215000000000 ] - [ -0.0000274800000000, 0.0013663300000000, 0.0014784200000000 ] - [ 0.0003974800000000, 0.0010428000000000, 0.0002417900000000 ] - [ 0.0002747200000000, -0.0005019100000000, -0.0000747800000000 ] - [ 0.0001735400000000, 0.0013792300000000, -0.0022617600000000 ] - [ -0.0001607800000000, -0.0003063500000000, 0.0007140900000000 ] - [ 0.0005686200000000, 0.0005427600000000, 0.0008568800000000 ] - [ 0.0008458100000000, -0.0000655200000000, -0.0007047800000000 ] - [ -0.0128463200000000, 0.0415557100000000, -0.0781971900000000 ] - [ 0.0002365600000000, -0.0001727300000000, 0.0001521300000000 ] - [ -0.0002529500000000, 0.0012787300000000, 0.0018394500000000 ] - [ -0.0001155300000000, -0.0003201700000000, -0.0007615900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003291500000000, -0.0012871800000000, -0.0011242400000000 ] - [ -0.0008398200000000, -0.0014403600000000, -0.0010662400000000 ] - [ 0.0001568500000000, -0.0001687400000000, 0.0001677200000000 ] - [ 0.0002088500000000, 0.0001512400000000, -0.0001867000000000 ] - [ 0.0002088500000000, -0.0001512400000000, -0.0001867000000000 ] - [ 0.0001568500000000, 0.0001687400000000, 0.0001677200000000 ] - [ -0.0008398200000000, 0.0014403600000000, -0.0010662400000000 ] - [ 0.0003291500000000, 0.0012871800000000, -0.0011242400000000 ] - [ -0.0385221200000000, 0.0000000000000000, -0.0005661900000000 ] - [ 0.0148737700000000, 0.0000000000000000, -0.0005038800000000 ] - [ 0.0003393200000000, 0.0000000000000000, 0.0001872900000000 ] - [ 0.0003505400000000, 0.0000000000000000, -0.0001618200000000 ] - [ -0.0015953300000000, 0.0002917300000000, -0.0000265900000000 ] - [ 0.0020017700000000, -0.0003213700000000, -0.0010057400000000 ] - [ 0.0000588400000000, -0.0001559200000000, 0.0000791100000000 ] - [ 0.0001162700000000, 0.0001781400000000, -0.0000247400000000 ] - [ 0.0001162700000000, -0.0001781400000000, -0.0000247400000000 ] - [ 0.0000588400000000, 0.0001559200000000, 0.0000791100000000 ] - [ 0.0020017700000000, 0.0003213700000000, -0.0010057400000000 ] - [ -0.0015953300000000, -0.0002917300000000, -0.0000265900000000 ] - [ -0.0015483000000000, -0.0015376700000000, -0.0014368500000000 ] - [ 0.0029559700000000, -0.0019398100000000, -0.0001915200000000 ] - [ 0.0003851800000000, -0.0002361000000000, 0.0001685700000000 ] - [ 0.0003966200000000, 0.0002006000000000, -0.0000758400000000 ] - [ 0.0003966200000000, -0.0002006000000000, -0.0000758400000000 ] - [ 0.0003851800000000, 0.0002361000000000, 0.0001685700000000 ] - [ 0.0029559700000000, 0.0019398100000000, -0.0001915200000000 ] - [ -0.0015483000000000, 0.0015376700000000, -0.0014368500000000 ] - [ 0.0002245300000000, 0.0001920600000000, 0.0000422300000000 ] - [ 0.0000595300000000, -0.0000564900000000, 0.0001912500000000 ] - [ -0.0001952200000000, -0.0002179400000000, -0.0001529100000000 ] - [ -0.0001299000000000, 0.0000945600000000, 0.0000572100000000 ] - [ -0.0001299000000000, -0.0000945600000000, 0.0000572100000000 ] - [ -0.0001952200000000, 0.0002179400000000, -0.0001529100000000 ] - [ 0.0000595300000000, 0.0000564900000000, 0.0001912500000000 ] - [ 0.0002245300000000, -0.0001920600000000, 0.0000422300000000 ] - [ 0.0013338800000000, 0.0008321200000000, 0.0018381400000000 ] - [ -0.0005233800000000, 0.0006343900000000, 0.0016527100000000 ] - [ -0.0000911700000000, -0.0000616800000000, -0.0000602300000000 ] - [ -0.0002277900000000, -0.0000390900000000, 0.0000741600000000 ] - [ -0.0002277900000000, 0.0000390900000000, 0.0000741600000000 ] - [ -0.0000911700000000, 0.0000616800000000, -0.0000602300000000 ] - [ -0.0005233800000000, -0.0006343900000000, 0.0016527100000000 ] - [ 0.0013338800000000, -0.0008321200000000, 0.0018381400000000 ] - [ -0.0022956300000000, 0.0000000000000000, 0.0050507600000000 ] - [ 0.0100861800000000, 0.0000000000000000, 0.0042773400000000 ] - [ -0.0000201900000000, 0.0000000000000000, 0.0003642100000000 ] - [ -0.0000217800000000, 0.0000000000000000, -0.0003218500000000 ] - [ -0.0000727800000000, 0.0000127600000000, 0.0004354700000000 ] - [ -0.0009089700000000, 0.0002059400000000, -0.0000710400000000 ] - [ 0.0005744700000000, 0.0001614800000000, 0.0001904300000000 ] - [ 0.0002216500000000, -0.0003366900000000, -0.0002746900000000 ] - [ 0.0002216500000000, 0.0003366900000000, -0.0002746900000000 ] - [ 0.0005744700000000, -0.0001614800000000, 0.0001904300000000 ] - [ -0.0009089700000000, -0.0002059400000000, -0.0000710400000000 ] - [ -0.0000727800000000, -0.0000127600000000, 0.0004354700000000 ] - [ 0.0002320000000000, 0.0000000000000000, -0.0001352700000000 ] - [ -0.0003411500000000, 0.0000000000000000, 0.0006811600000000 ] - [ 0.0001032900000000, 0.0000000000000000, -0.0003611900000000 ] - [ 0.0000177200000000, 0.0000000000000000, 0.0004436800000000 ] - [ 0.0012054900000000, 0.0000000000000000, -0.0011445900000000 ] - [ -0.0013355500000000, 0.0000000000000000, -0.0007846400000000 ] - [ 0.0001236100000000, 0.0000000000000000, 0.0001775400000000 ] - [ 0.0000876200000000, 0.0000000000000000, -0.0001752800000000 ] - [ 0.0007286900000000, -0.0001606500000000, -0.0006184800000000 ] - [ -0.0009910800000000, -0.0000658500000000, -0.0003281200000000 ] - [ 0.0003233800000000, 0.0002866600000000, -0.0004328900000000 ] - [ -0.0000025000000000, 0.0003810500000000, 0.0002819400000000 ] - [ -0.0000025000000000, -0.0003810500000000, 0.0002819400000000 ] - [ 0.0003233800000000, -0.0002866600000000, -0.0004328900000000 ] - [ -0.0009910800000000, 0.0000658500000000, -0.0003281200000000 ] - [ 0.0007286900000000, 0.0001606500000000, -0.0006184800000000 ] - [ -0.0001004400000000, 0.0000000000000000, 0.0003783700000000 ] - [ -0.0000761800000000, 0.0000000000000000, -0.0004060200000000 ] - [ -0.0032777700000000, 0.0000000000000000, -0.0003216000000000 ] - [ 0.0057325900000000, 0.0000000000000000, 0.0008008500000000 ] - [ 0.0002835600000000, 0.0002397300000000, 0.0000835600000000 ] - [ 0.0002557900000000, -0.0002576200000000, -0.0001475600000000 ] - [ 0.0023351000000000, -0.0015835200000000, 0.0001826400000000 ] - [ 0.0010084900000000, 0.0019234200000000, -0.0015281700000000 ] - [ 0.0010084900000000, -0.0019234200000000, -0.0015281700000000 ] - [ 0.0023351000000000, 0.0015835200000000, 0.0001826400000000 ] - [ 0.0002557900000000, 0.0002576200000000, -0.0001475600000000 ] - [ 0.0002835600000000, -0.0002397300000000, 0.0000835600000000 ] - [ -0.0001189400000000, 0.0001317700000000, -0.0003611600000000 ] - [ -0.0001423200000000, -0.0001296400000000, 0.0003368800000000 ] - [ 0.0011689400000000, -0.0004882000000000, -0.0007470900000000 ] - [ -0.0013206700000000, -0.0002181400000000, 0.0003393700000000 ] - [ -0.0013206700000000, 0.0002181400000000, 0.0003393700000000 ] - [ 0.0011689400000000, 0.0004882000000000, -0.0007470900000000 ] - [ -0.0001423200000000, 0.0001296400000000, 0.0003368800000000 ] - [ -0.0001189400000000, -0.0001317700000000, -0.0003611600000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007062800000000, 0.0016099700000000, 0.0014229600000000 ] - [ 0.0004537300000000, 0.0011011300000000, 0.0007609100000000 ] - [ 0.0002176600000000, -0.0001596100000000, 0.0001319000000000 ] - [ 0.0001659800000000, 0.0001775100000000, -0.0001132100000000 ] - [ 0.0001659800000000, -0.0001775100000000, -0.0001132100000000 ] - [ 0.0002176600000000, 0.0001596100000000, 0.0001319000000000 ] - [ 0.0004537300000000, -0.0011011300000000, 0.0007609100000000 ] - [ -0.0007062800000000, -0.0016099700000000, 0.0014229600000000 ] - [ 0.0379722200000000, 0.0000000000000000, 0.0009855100000000 ] - [ -0.0155537100000000, 0.0000000000000000, 0.0001941100000000 ] - [ 0.0003459800000000, 0.0000000000000000, 0.0001536000000000 ] - [ 0.0003344500000000, 0.0000000000000000, -0.0001792900000000 ] - [ 0.0014412400000000, 0.0000672600000000, 0.0001605000000000 ] - [ -0.0021618100000000, -0.0000409000000000, 0.0008807500000000 ] - [ 0.0000994400000000, -0.0002076200000000, 0.0000533900000000 ] - [ 0.0000414700000000, 0.0001842200000000, -0.0001090200000000 ] - [ 0.0000414700000000, -0.0001842200000000, -0.0001090200000000 ] - [ 0.0000994400000000, 0.0002076200000000, 0.0000533900000000 ] - [ -0.0021618100000000, 0.0000409000000000, 0.0008807500000000 ] - [ 0.0014412400000000, -0.0000672600000000, 0.0001605000000000 ] - [ 0.0007849900000000, 0.0019976100000000, 0.0016459700000000 ] - [ -0.0037391700000000, 0.0014522700000000, -0.0000293300000000 ] - [ 0.0003882100000000, -0.0002416300000000, 0.0000504500000000 ] - [ 0.0003769400000000, 0.0002773100000000, -0.0001434000000000 ] - [ 0.0003769400000000, -0.0002773100000000, -0.0001434000000000 ] - [ 0.0003882100000000, 0.0002416300000000, 0.0000504500000000 ] - [ -0.0037391700000000, -0.0014522700000000, -0.0000293300000000 ] - [ 0.0007849900000000, -0.0019976100000000, 0.0016459700000000 ] - [ 0.0001142900000000, 0.0001698300000000, -0.0002358200000000 ] - [ 0.0002779500000000, -0.0003041400000000, -0.0000017600000000 ] - [ -0.0001441800000000, -0.0001429900000000, -0.0000387600000000 ] - [ -0.0002079400000000, 0.0002663900000000, 0.0001355000000000 ] - [ -0.0002079400000000, -0.0002663900000000, 0.0001355000000000 ] - [ -0.0001441800000000, 0.0001429900000000, -0.0000387600000000 ] - [ 0.0002779500000000, 0.0003041400000000, -0.0000017600000000 ] - [ 0.0001142900000000, -0.0001698300000000, -0.0002358200000000 ] - [ -0.0009598500000000, -0.0008356600000000, -0.0020389300000000 ] - [ 0.0008955100000000, -0.0006299000000000, -0.0014543100000000 ] - [ -0.0002774100000000, 0.0000665500000000, -0.0001482900000000 ] - [ -0.0001404200000000, 0.0000363400000000, 0.0001338700000000 ] - [ -0.0001404200000000, -0.0000363400000000, 0.0001338700000000 ] - [ -0.0002774100000000, -0.0000665500000000, -0.0001482900000000 ] - [ 0.0008955100000000, 0.0006299000000000, -0.0014543100000000 ] - [ -0.0009598500000000, 0.0008356600000000, -0.0020389300000000 ] - [ 0.0023014700000000, 0.0000000000000000, -0.0044324800000000 ] - [ -0.0100313600000000, 0.0000000000000000, -0.0049295300000000 ] - [ -0.0000072000000000, 0.0000000000000000, 0.0002833800000000 ] - [ -0.0000059900000000, 0.0000000000000000, -0.0003258700000000 ] - [ -0.0007212400000000, -0.0006025300000000, 0.0000000100000000 ] - [ 0.0001200700000000, 0.0003889100000000, -0.0003662800000000 ] - [ 0.0002175100000000, 0.0004277300000000, 0.0002484000000000 ] - [ 0.0005703300000000, -0.0002541000000000, -0.0001627400000000 ] - [ 0.0005703300000000, 0.0002541000000000, -0.0001627400000000 ] - [ 0.0002175100000000, -0.0004277300000000, 0.0002484000000000 ] - [ 0.0001200700000000, -0.0003889100000000, -0.0003662800000000 ] - [ -0.0007212400000000, 0.0006025300000000, 0.0000000100000000 ] - [ -0.0003437100000000, 0.0000000000000000, -0.0006370700000000 ] - [ 0.0002277400000000, 0.0000000000000000, 0.0001007500000000 ] - [ 0.0000085500000000, 0.0000000000000000, -0.0004116600000000 ] - [ 0.0000938100000000, 0.0000000000000000, 0.0003287600000000 ] - [ -0.0014369500000000, 0.0000000000000000, 0.0014397600000000 ] - [ 0.0011139500000000, 0.0000000000000000, 0.0004685600000000 ] - [ 0.0001011500000000, 0.0000000000000000, 0.0001394900000000 ] - [ 0.0001368800000000, 0.0000000000000000, -0.0001418900000000 ] - [ -0.0009089400000000, 0.0002580300000000, 0.0000171600000000 ] - [ 0.0008100800000000, -0.0000245200000000, 0.0009387300000000 ] - [ -0.0001457900000000, -0.0003839500000000, -0.0001666900000000 ] - [ 0.0001823200000000, -0.0002851300000000, 0.0003175600000000 ] - [ 0.0001823200000000, 0.0002851300000000, 0.0003175600000000 ] - [ -0.0001457900000000, 0.0003839500000000, -0.0001666900000000 ] - [ 0.0008100800000000, 0.0000245200000000, 0.0009387300000000 ] - [ -0.0009089400000000, -0.0002580300000000, 0.0000171600000000 ] - [ -0.0000946800000000, 0.0000000000000000, 0.0003858700000000 ] - [ -0.0001189700000000, 0.0000000000000000, -0.0003578900000000 ] - [ 0.0037478000000000, 0.0000000000000000, 0.0008629000000000 ] - [ -0.0056386400000000, 0.0000000000000000, -0.0013840100000000 ] - [ 0.0002617500000000, 0.0002716100000000, 0.0001274800000000 ] - [ 0.0002895800000000, -0.0002536300000000, -0.0000632300000000 ] - [ -0.0031815000000000, 0.0013657400000000, -0.0000597800000000 ] - [ -0.0013956200000000, -0.0015725700000000, 0.0014084900000000 ] - [ -0.0013956200000000, 0.0015725700000000, 0.0014084900000000 ] - [ -0.0031815000000000, -0.0013657400000000, -0.0000597800000000 ] - [ 0.0002895800000000, 0.0002536300000000, -0.0000632300000000 ] - [ 0.0002617500000000, -0.0002716100000000, 0.0001274800000000 ] - [ -0.0001140200000000, 0.0001358000000000, -0.0003843400000000 ] - [ -0.0000898000000000, -0.0001374500000000, 0.0004084800000000 ] - [ -0.0009329600000000, 0.0002148800000000, 0.0000005400000000 ] - [ 0.0015414500000000, 0.0004860300000000, 0.0004013300000000 ] - [ 0.0015414500000000, -0.0004860300000000, 0.0004013300000000 ] - [ -0.0009329600000000, -0.0002148800000000, 0.0000005400000000 ] - [ -0.0000898000000000, 0.0001374500000000, 0.0004084800000000 ] - [ -0.0001140200000000, -0.0001358000000000, -0.0003843400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002002100000000, -0.0020296100000000, 0.0006769800000000 ] - [ -0.0007570400000000, -0.0024478900000000, 0.0012240300000000 ] - [ 0.0002528300000000, 0.0010840000000000, 0.0000517500000000 ] - [ 0.0002014300000000, 0.0012679200000000, -0.0002918700000000 ] - [ 0.0001759200000000, 0.0009352400000000, 0.0000046200000000 ] - [ 0.0001253500000000, 0.0014151900000000, 0.0002365300000000 ] - [ 0.0003836800000000, -0.0021365900000000, -0.0015134400000000 ] - [ -0.0005734000000000, -0.0023330300000000, -0.0003990100000000 ] - [ -0.0002010700000000, -0.0349919400000000, 0.0001343100000000 ] - [ -0.0003347400000000, -0.0099278900000000, -0.0001734200000000 ] - [ 0.0003425700000000, 0.0011065000000000, 0.0001684800000000 ] - [ 0.0003421100000000, 0.0011743500000000, -0.0001690100000000 ] - [ 0.0004809800000000, 0.0030060400000000, -0.0011119400000000 ] - [ -0.0010753800000000, 0.0019328800000000, -0.0018820500000000 ] - [ -0.0000330500000000, 0.0002098900000000, 0.0000281900000000 ] - [ 0.0001168600000000, 0.0005898600000000, 0.0001542700000000 ] - [ 0.0000397400000000, 0.0002319300000000, -0.0002770800000000 ] - [ 0.0001909600000000, 0.0005708000000000, 0.0000981700000000 ] - [ 0.0009215500000000, 0.0022926100000000, 0.0017672400000000 ] - [ -0.0006380100000000, 0.0026287700000000, 0.0012326400000000 ] - [ -0.0027747600000000, 0.0021069300000000, 0.0042997500000000 ] - [ 0.0016107900000000, -0.0002871700000000, 0.0023973600000000 ] - [ 0.0002306300000000, 0.0004530600000000, -0.0003585800000000 ] - [ 0.0004744600000000, 0.0007950400000000, -0.0004236900000000 ] - [ 0.0003070600000000, 0.0003216300000000, 0.0002004500000000 ] - [ 0.0005506400000000, 0.0009259600000000, 0.0005800700000000 ] - [ -0.0024029900000000, 0.0001745700000000, -0.0026359700000000 ] - [ 0.0019724200000000, 0.0016346100000000, -0.0040470600000000 ] - [ -0.0000412100000000, -0.0013040500000000, 0.0003352800000000 ] - [ 0.0004189100000000, -0.0016193500000000, 0.0003284700000000 ] - [ -0.0001276500000000, 0.0016955000000000, -0.0002546900000000 ] - [ -0.0002881700000000, 0.0021392600000000, 0.0001317700000000 ] - [ -0.0000494500000000, 0.0017723500000000, 0.0000608500000000 ] - [ -0.0002099900000000, 0.0020624000000000, 0.0000639000000000 ] - [ -0.0000805400000000, -0.0012471300000000, -0.0001372000000000 ] - [ 0.0003804500000000, -0.0016759100000000, -0.0005283800000000 ] - [ -0.0003275400000000, 0.0005821400000000, 0.0026722700000000 ] - [ 0.0012216800000000, 0.0006057100000000, 0.0024330700000000 ] - [ -0.0004167300000000, 0.0006747100000000, -0.0005959000000000 ] - [ -0.0000189300000000, 0.0005662700000000, -0.0003806300000000 ] - [ -0.0003580200000000, 0.0005734000000000, 0.0005953200000000 ] - [ 0.0000398600000000, 0.0006675800000000, 0.0003810000000000 ] - [ -0.0008522400000000, 0.0005938000000000, -0.0022310600000000 ] - [ 0.0007041700000000, 0.0005908300000000, -0.0028745800000000 ] - [ -0.0000055200000000, -0.0051555300000000, 0.0002973100000000 ] - [ -0.0000008100000000, -0.0052188900000000, -0.0003121900000000 ] - [ -0.0000144800000000, 0.0011160000000000, 0.0003229000000000 ] - [ -0.0000144900000000, 0.0009784100000000, -0.0003230300000000 ] - [ -0.0003532500000000, -0.0029518300000000, -0.0005973200000000 ] - [ -0.0001865300000000, -0.0024770400000000, -0.0004006800000000 ] - [ 0.0004871500000000, 0.0004567100000000, 0.0014166600000000 ] - [ 0.0004999000000000, -0.0000613300000000, 0.0003399400000000 ] - [ 0.0003034300000000, 0.0005215100000000, -0.0007869400000000 ] - [ 0.0003170400000000, -0.0001252300000000, -0.0009666400000000 ] - [ -0.0006207600000000, -0.0030581800000000, -0.0000469400000000 ] - [ -0.0004494500000000, -0.0023704400000000, 0.0010385900000000 ] - [ -0.0000561800000000, 0.0016621000000000, -0.0003848500000000 ] - [ -0.0000567400000000, 0.0020500100000000, 0.0003857800000000 ] - [ 0.0000568600000000, -0.0020527400000000, -0.0003876900000000 ] - [ 0.0000563700000000, -0.0019111700000000, 0.0003864300000000 ] - [ -0.0001173600000000, 0.0030679300000000, 0.0001458300000000 ] - [ -0.0001172300000000, 0.0020908700000000, -0.0001567500000000 ] - [ 0.0001183900000000, -0.0014217100000000, 0.0001607500000000 ] - [ 0.0001173200000000, -0.0015941700000000, -0.0001612000000000 ] - [ 0.0001958800000000, 0.0004609000000000, -0.0019448900000000 ] - [ -0.0001569200000000, 0.0004388000000000, -0.0017159000000000 ] - [ 0.0005091700000000, -0.0022084800000000, 0.0002967400000000 ] - [ -0.0000729500000000, -0.0015828800000000, 0.0008624800000000 ] - [ 0.0002650100000000, -0.0016579500000000, -0.0002576600000000 ] - [ -0.0003138000000000, -0.0021302200000000, -0.0009005000000000 ] - [ -0.0000355800000000, 0.0005234100000000, 0.0023313900000000 ] - [ -0.0003864400000000, 0.0003761100000000, 0.0013326000000000 ] - [ -0.0001040000000000, -0.0012909000000000, 0.0003844100000000 ] - [ -0.0001035700000000, -0.0015632400000000, -0.0003832800000000 ] - [ 0.0001276900000000, 0.0069722100000000, 0.0003822700000000 ] - [ 0.0001034400000000, 0.0090382900000000, -0.0003701000000000 ] - [ 0.0002504800000000, -0.0007328700000000, 0.0000802200000000 ] - [ 0.0003225600000000, -0.0013375800000000, -0.0003304000000000 ] - [ 0.0014974200000000, 0.0090868300000000, 0.0007948200000000 ] - [ 0.0022330300000000, 0.0057461500000000, 0.0022389400000000 ] - [ -0.0026055300000000, 0.0054213600000000, -0.0023444200000000 ] - [ -0.0023294300000000, 0.0093128100000000, -0.0006605800000000 ] - [ 0.0002262200000000, -0.0007959300000000, 0.0001139700000000 ] - [ 0.0002986600000000, -0.0012744600000000, 0.0001370400000000 ] - [ 0.0001751000000000, 0.0001365700000000, -0.0002865600000000 ] - [ -0.0004602700000000, -0.0000444000000000, 0.0004759600000000 ] - [ 0.0003956400000000, 0.0012264200000000, 0.0017134500000000 ] - [ -0.0005361400000000, 0.0018150000000000, 0.0019316100000000 ] - [ 0.0007626000000000, 0.0015678200000000, -0.0012041400000000 ] - [ -0.0001727400000000, 0.0014779400000000, -0.0024291500000000 ] - [ 0.0002301500000000, 0.0002171000000000, 0.0002636200000000 ] - [ -0.0004036700000000, -0.0001253000000000, -0.0004531400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006968600000000, 0.0031402300000000, 0.0025682300000000 ] - [ -0.0001775100000000, 0.0012941900000000, 0.0011810100000000 ] - [ 0.0000604900000000, -0.0003209400000000, 0.0000433100000000 ] - [ 0.0002984700000000, 0.0000203400000000, -0.0001874200000000 ] - [ 0.0002984700000000, -0.0000203400000000, -0.0001874200000000 ] - [ 0.0000604900000000, 0.0003209400000000, 0.0000433100000000 ] - [ -0.0001775100000000, -0.0012941900000000, 0.0011810100000000 ] - [ -0.0006968600000000, -0.0031402300000000, 0.0025682300000000 ] - [ -0.0011366100000000, 0.0000000000000000, -0.0374197100000000 ] - [ 0.0000021300000000, 0.0000000000000000, -0.0068904200000000 ] - [ 0.0003259900000000, 0.0000000000000000, 0.0006353900000000 ] - [ 0.0003515600000000, 0.0000000000000000, 0.0003138600000000 ] - [ -0.0001166700000000, -0.0007994000000000, -0.0019600100000000 ] - [ 0.0009722400000000, -0.0015070700000000, -0.0019818700000000 ] - [ 0.0001175300000000, 0.0000708600000000, 0.0008844400000000 ] - [ 0.0000080400000000, 0.0003675200000000, 0.0007585000000000 ] - [ 0.0000080400000000, -0.0003675200000000, 0.0007585000000000 ] - [ 0.0001175300000000, -0.0000708600000000, 0.0008844400000000 ] - [ 0.0009722400000000, 0.0015070700000000, -0.0019818700000000 ] - [ -0.0001166700000000, 0.0007994000000000, -0.0019600100000000 ] - [ -0.0018894300000000, 0.0039685900000000, 0.0005348200000000 ] - [ -0.0004018700000000, 0.0013988900000000, -0.0015094800000000 ] - [ 0.0005496300000000, -0.0004496900000000, 0.0004815500000000 ] - [ 0.0002300200000000, 0.0000454000000000, 0.0002538100000000 ] - [ 0.0002300200000000, -0.0000454000000000, 0.0002538100000000 ] - [ 0.0005496300000000, 0.0004496900000000, 0.0004815500000000 ] - [ -0.0004018700000000, -0.0013988900000000, -0.0015094800000000 ] - [ -0.0018894300000000, -0.0039685900000000, 0.0005348200000000 ] - [ 0.0004187200000000, 0.0005376400000000, 0.0023066100000000 ] - [ 0.0000750200000000, -0.0000424900000000, 0.0023750300000000 ] - [ -0.0000679700000000, -0.0002779600000000, -0.0008073400000000 ] - [ -0.0002570600000000, 0.0001495100000000, -0.0006872800000000 ] - [ -0.0002570600000000, -0.0001495100000000, -0.0006872800000000 ] - [ -0.0000679700000000, 0.0002779600000000, -0.0008073400000000 ] - [ 0.0000750200000000, 0.0000424900000000, 0.0023750300000000 ] - [ 0.0004187200000000, -0.0005376400000000, 0.0023066100000000 ] - [ -0.0002027700000000, 0.0008644500000000, 0.0009969600000000 ] - [ 0.0005052000000000, 0.0012338000000000, 0.0007293700000000 ] - [ -0.0000225400000000, -0.0005035200000000, -0.0000908000000000 ] - [ -0.0003579900000000, -0.0005657200000000, 0.0001936700000000 ] - [ -0.0003579900000000, 0.0005657200000000, 0.0001936700000000 ] - [ -0.0000225400000000, 0.0005035200000000, -0.0000908000000000 ] - [ 0.0005052000000000, -0.0012338000000000, 0.0007293700000000 ] - [ -0.0002027700000000, -0.0008644500000000, 0.0009969600000000 ] - [ 0.0049413600000000, 0.0000000000000000, 0.0096463000000000 ] - [ -0.0015189300000000, 0.0000000000000000, 0.0039565100000000 ] - [ 0.0000730100000000, 0.0000000000000000, 0.0004846500000000 ] - [ -0.0000688100000000, 0.0000000000000000, -0.0001179100000000 ] - [ -0.0006793400000000, -0.0011109400000000, 0.0016203100000000 ] - [ -0.0000177300000000, -0.0002963900000000, 0.0012658100000000 ] - [ 0.0002993400000000, 0.0007913700000000, -0.0016494700000000 ] - [ 0.0004978900000000, 0.0002231400000000, -0.0020440900000000 ] - [ 0.0004978900000000, -0.0002231400000000, -0.0020440900000000 ] - [ 0.0002993400000000, -0.0007913700000000, -0.0016494700000000 ] - [ -0.0000177300000000, 0.0002963900000000, 0.0012658100000000 ] - [ -0.0006793400000000, 0.0011109400000000, 0.0016203100000000 ] - [ -0.0001692900000000, 0.0000000000000000, -0.0035662100000000 ] - [ -0.0000618200000000, 0.0000000000000000, -0.0025413700000000 ] - [ 0.0000795500000000, 0.0000000000000000, 0.0000928600000000 ] - [ 0.0000271200000000, 0.0000000000000000, 0.0008014100000000 ] - [ 0.0000857100000000, 0.0000000000000000, -0.0064716400000000 ] - [ -0.0008559000000000, 0.0000000000000000, -0.0029969800000000 ] - [ 0.0000760900000000, 0.0000000000000000, 0.0003109700000000 ] - [ 0.0001505000000000, 0.0000000000000000, 0.0000670000000000 ] - [ -0.0001734800000000, -0.0014001200000000, -0.0021034500000000 ] - [ -0.0000388100000000, -0.0013735000000000, -0.0011410300000000 ] - [ -0.0001922000000000, 0.0010907300000000, -0.0000828700000000 ] - [ 0.0002289900000000, 0.0011436200000000, 0.0003802100000000 ] - [ 0.0002289900000000, -0.0011436200000000, 0.0003802100000000 ] - [ -0.0001922000000000, -0.0010907300000000, -0.0000828700000000 ] - [ -0.0000388100000000, 0.0013735000000000, -0.0011410300000000 ] - [ -0.0001734800000000, 0.0014001200000000, -0.0021034500000000 ] - [ -0.0000361600000000, 0.0000000000000000, 0.0000850900000000 ] - [ -0.0001917000000000, 0.0000000000000000, -0.0006524600000000 ] - [ 0.0033689700000000, 0.0000000000000000, 0.0057724700000000 ] - [ 0.0004398300000000, 0.0000000000000000, 0.0029405000000000 ] - [ 0.0002274000000000, 0.0001346700000000, -0.0005388500000000 ] - [ 0.0003280400000000, -0.0003653200000000, -0.0007358000000000 ] - [ -0.0010819500000000, 0.0008689300000000, 0.0085472500000000 ] - [ -0.0023641600000000, 0.0024462800000000, 0.0062536400000000 ] - [ -0.0023641600000000, -0.0024462800000000, 0.0062536400000000 ] - [ -0.0010819500000000, -0.0008689300000000, 0.0085472500000000 ] - [ 0.0003280400000000, 0.0003653200000000, -0.0007358000000000 ] - [ 0.0002274000000000, -0.0001346700000000, -0.0005388500000000 ] - [ 0.0001169300000000, 0.0002137700000000, -0.0004238000000000 ] - [ -0.0003145800000000, -0.0000103900000000, 0.0003572600000000 ] - [ -0.0002681200000000, 0.0003553300000000, 0.0008115700000000 ] - [ 0.0014458000000000, 0.0004082700000000, 0.0011750600000000 ] - [ 0.0014458000000000, -0.0004082700000000, 0.0011750600000000 ] - [ -0.0002681200000000, -0.0003553300000000, 0.0008115700000000 ] - [ -0.0003145800000000, 0.0000103900000000, 0.0003572600000000 ] - [ 0.0001169300000000, -0.0002137700000000, -0.0004238000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003200300000000, -0.0027825700000000, -0.0022559800000000 ] - [ -0.0001942000000000, -0.0016329200000000, -0.0014809000000000 ] - [ 0.0003138200000000, -0.0000068500000000, 0.0002590800000000 ] - [ 0.0000763000000000, 0.0003077700000000, -0.0001148200000000 ] - [ 0.0000763000000000, -0.0003077700000000, -0.0001148200000000 ] - [ 0.0003138200000000, 0.0000068500000000, 0.0002590800000000 ] - [ -0.0001942000000000, 0.0016329200000000, -0.0014809000000000 ] - [ 0.0003200300000000, 0.0027825700000000, -0.0022559800000000 ] - [ 0.0004095800000000, 0.0000000000000000, 0.0373252300000000 ] - [ -0.0006957900000000, 0.0000000000000000, 0.0065217100000000 ] - [ 0.0003596800000000, 0.0000000000000000, -0.0002940200000000 ] - [ 0.0003341500000000, 0.0000000000000000, -0.0006548900000000 ] - [ -0.0000486700000000, 0.0011526600000000, 0.0021029700000000 ] - [ -0.0011330900000000, 0.0011463300000000, 0.0018374300000000 ] - [ 0.0000412900000000, -0.0004311100000000, -0.0007514000000000 ] - [ 0.0001508300000000, -0.0000062000000000, -0.0008899100000000 ] - [ 0.0001508300000000, 0.0000062000000000, -0.0008899100000000 ] - [ 0.0000412900000000, 0.0004311100000000, -0.0007514000000000 ] - [ -0.0011330900000000, -0.0011463300000000, 0.0018374300000000 ] - [ -0.0000486700000000, -0.0011526600000000, 0.0021029700000000 ] - [ 0.0011185500000000, -0.0034763400000000, -0.0003275600000000 ] - [ -0.0003505100000000, -0.0018756900000000, 0.0013061900000000 ] - [ 0.0002243400000000, -0.0000270500000000, -0.0002610900000000 ] - [ 0.0005438400000000, 0.0004309500000000, -0.0004741500000000 ] - [ 0.0005438400000000, -0.0004309500000000, -0.0004741500000000 ] - [ 0.0002243400000000, 0.0000270500000000, -0.0002610900000000 ] - [ -0.0003505100000000, 0.0018756900000000, 0.0013061900000000 ] - [ 0.0011185500000000, 0.0034763400000000, -0.0003275600000000 ] - [ -0.0000827600000000, -0.0001848600000000, -0.0024968800000000 ] - [ 0.0002621300000000, -0.0003117600000000, -0.0021802800000000 ] - [ -0.0002698600000000, -0.0000812300000000, 0.0006136800000000 ] - [ -0.0000814400000000, 0.0002094800000000, 0.0008789700000000 ] - [ -0.0000814400000000, -0.0002094800000000, 0.0008789700000000 ] - [ -0.0002698600000000, 0.0000812300000000, 0.0006136800000000 ] - [ 0.0002621300000000, 0.0003117600000000, -0.0021802800000000 ] - [ -0.0000827600000000, 0.0001848600000000, -0.0024968800000000 ] - [ 0.0005669300000000, -0.0008700500000000, -0.0012206000000000 ] - [ -0.0001380300000000, -0.0012329300000000, -0.0005106800000000 ] - [ -0.0003435300000000, 0.0005071200000000, -0.0001150100000000 ] - [ -0.0000087100000000, 0.0005606600000000, 0.0000125000000000 ] - [ -0.0000087100000000, -0.0005606600000000, 0.0000125000000000 ] - [ -0.0003435300000000, -0.0005071200000000, -0.0001150100000000 ] - [ -0.0001380300000000, 0.0012329300000000, -0.0005106800000000 ] - [ 0.0005669300000000, 0.0008700500000000, -0.0012206000000000 ] - [ -0.0048517000000000, 0.0000000000000000, -0.0089064600000000 ] - [ 0.0015456300000000, 0.0000000000000000, -0.0046108100000000 ] - [ -0.0001002500000000, 0.0000000000000000, 0.0001645700000000 ] - [ 0.0000412500000000, 0.0000000000000000, -0.0005311000000000 ] - [ -0.0001140900000000, 0.0005262900000000, -0.0011769800000000 ] - [ -0.0007757700000000, 0.0008796000000000, -0.0017052300000000 ] - [ 0.0004937000000000, -0.0002067800000000, 0.0020844000000000 ] - [ 0.0002957600000000, -0.0008057200000000, 0.0016049600000000 ] - [ 0.0002957600000000, 0.0008057200000000, 0.0016049600000000 ] - [ 0.0004937000000000, 0.0002067800000000, 0.0020844000000000 ] - [ -0.0007757700000000, -0.0008796000000000, -0.0017052300000000 ] - [ -0.0001140900000000, -0.0005262900000000, -0.0011769800000000 ] - [ 0.0000548600000000, 0.0000000000000000, 0.0027857400000000 ] - [ -0.0000506900000000, 0.0000000000000000, 0.0033114700000000 ] - [ 0.0000331200000000, 0.0000000000000000, -0.0008663100000000 ] - [ 0.0000853100000000, 0.0000000000000000, -0.0000273800000000 ] - [ -0.0002985400000000, 0.0000000000000000, 0.0068255300000000 ] - [ 0.0006319100000000, 0.0000000000000000, 0.0026714400000000 ] - [ 0.0001486800000000, 0.0000000000000000, 0.0000075300000000 ] - [ 0.0000740600000000, 0.0000000000000000, -0.0003856100000000 ] - [ -0.0000117900000000, 0.0014854900000000, 0.0015034500000000 ] - [ -0.0001447800000000, 0.0012821900000000, 0.0017341200000000 ] - [ 0.0003741500000000, -0.0011829900000000, -0.0005218000000000 ] - [ -0.0000476100000000, -0.0010492600000000, 0.0002235000000000 ] - [ -0.0000476100000000, 0.0010492600000000, 0.0002235000000000 ] - [ 0.0003741500000000, 0.0011829900000000, -0.0005218000000000 ] - [ -0.0001447800000000, -0.0012821900000000, 0.0017341200000000 ] - [ -0.0000117900000000, -0.0014854900000000, 0.0015034500000000 ] - [ -0.0001579800000000, 0.0000000000000000, 0.0006795500000000 ] - [ -0.0000022300000000, 0.0000000000000000, -0.0001126300000000 ] - [ -0.0030095700000000, 0.0000000000000000, -0.0051607600000000 ] - [ -0.0004992900000000, 0.0000000000000000, -0.0033002400000000 ] - [ 0.0003182000000000, 0.0003756400000000, 0.0007497800000000 ] - [ 0.0002176000000000, -0.0001452700000000, 0.0005235400000000 ] - [ 0.0004830200000000, -0.0013431300000000, -0.0083554700000000 ] - [ 0.0018942200000000, -0.0020211500000000, -0.0063937800000000 ] - [ 0.0018942200000000, 0.0020211500000000, -0.0063937800000000 ] - [ 0.0004830200000000, 0.0013431300000000, -0.0083554700000000 ] - [ 0.0002176000000000, 0.0001452700000000, 0.0005235400000000 ] - [ 0.0003182000000000, -0.0003756400000000, 0.0007497800000000 ] - [ -0.0003488600000000, 0.0000524900000000, -0.0003200600000000 ] - [ 0.0000818600000000, -0.0002555000000000, 0.0003864800000000 ] - [ 0.0004966000000000, -0.0006373700000000, -0.0015708300000000 ] - [ -0.0012055600000000, -0.0001315900000000, -0.0004189400000000 ] - [ -0.0012055600000000, 0.0001315900000000, -0.0004189400000000 ] - [ 0.0004966000000000, 0.0006373700000000, -0.0015708300000000 ] - [ 0.0000818600000000, 0.0002555000000000, 0.0003864800000000 ] - [ -0.0003488600000000, -0.0000524900000000, -0.0003200600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000854300000000, 0.0002109200000000, 0.0000534200000000 ] - [ -0.0002304600000000, -0.0007220000000000, 0.0000135800000000 ] - [ -0.0012791800000000, 0.0006994300000000, -0.0010037800000000 ] - [ 0.0001420100000000, 0.0000455100000000, -0.0001790400000000 ] - [ 0.0008901000000000, -0.0010526200000000, -0.0013325800000000 ] - [ 0.0002090700000000, 0.0001623000000000, 0.0000980200000000 ] - [ -0.0066651900000000, -0.0029220500000000, -0.0050210700000000 ] - [ -0.0002026400000000, -0.0001914900000000, -0.0000263700000000 ] - [ -0.0018557800000000, 0.0005600300000000, 0.0001366500000000 ] - [ 0.0017280500000000, 0.0009939000000000, -0.0012184100000000 ] - [ 0.0003231200000000, -0.0001108300000000, 0.0001316300000000 ] - [ 0.0003800100000000, -0.0000376500000000, -0.0002411300000000 ] - [ -0.0570965200000000, 0.0236036900000000, 0.0270976900000000 ] - [ -0.0000983000000000, -0.0001724100000000, -0.0000512000000000 ] - [ 0.0000597200000000, 0.0001298800000000, -0.0002802800000000 ] - [ 0.0001201400000000, 0.0000657700000000, -0.0000793300000000 ] - [ 0.0000435200000000, 0.0001501700000000, -0.0003891800000000 ] - [ 0.0000535200000000, 0.0000475100000000, -0.0000037900000000 ] - [ 0.0027456900000000, -0.0003330000000000, 0.0005545800000000 ] - [ -0.0001573300000000, -0.0002653000000000, 0.0002591400000000 ] - [ -0.0000706500000000, 0.0014674100000000, -0.0024153400000000 ] - [ -0.0002847300000000, -0.0004464600000000, -0.0000059400000000 ] - [ -0.0006864600000000, -0.0000003700000000, 0.0014796600000000 ] - [ 0.0003973900000000, 0.0001185900000000, -0.0000984000000000 ] - [ 0.0005962300000000, -0.0001652500000000, -0.0002190300000000 ] - [ 0.0003497400000000, 0.0001227400000000, 0.0001096400000000 ] - [ 0.0042709300000000, -0.0058604000000000, -0.0064816800000000 ] - [ -0.0003956300000000, -0.0001525200000000, 0.0000628400000000 ] - [ 0.0003434800000000, -0.0001312100000000, -0.0002079400000000 ] - [ 0.0000413900000000, 0.0001266700000000, -0.0006131100000000 ] - [ -0.0001427900000000, -0.0001596600000000, 0.0000119800000000 ] - [ 0.0043278700000000, 0.0002534300000000, 0.0004486900000000 ] - [ -0.0002459000000000, -0.0002370700000000, 0.0001171100000000 ] - [ -0.0018213600000000, 0.0009890300000000, 0.0013121900000000 ] - [ 0.0000360400000000, -0.0000563700000000, -0.0001578900000000 ] - [ 0.0003778700000000, -0.0001098400000000, -0.0003510300000000 ] - [ 0.0007481800000000, 0.0001404400000000, -0.0000382000000000 ] - [ 0.0001693600000000, -0.0000749100000000, 0.0001896300000000 ] - [ 0.0015351900000000, 0.0004997900000000, -0.0009816800000000 ] - [ -0.0001840300000000, -0.0000606800000000, 0.0001048100000000 ] - [ -0.0005750800000000, -0.0001031400000000, -0.0008670000000000 ] - [ -0.0001660200000000, -0.0001178100000000, -0.0001368200000000 ] - [ -0.0039611500000000, 0.0052588600000000, 0.0078731700000000 ] - [ 0.0002468500000000, -0.0000274100000000, -0.0002081600000000 ] - [ -0.0005008300000000, -0.0005120200000000, 0.0008347600000000 ] - [ 0.0004791700000000, 0.0009362400000000, 0.0015316000000000 ] - [ 0.0002928900000000, -0.0008722400000000, 0.0005554800000000 ] - [ 0.0000332800000000, -0.0001327500000000, -0.0003041100000000 ] - [ 0.0030685700000000, -0.0007421000000000, -0.0011494600000000 ] - [ -0.0004434200000000, 0.0003570000000000, -0.0002779400000000 ] - [ 0.0012133500000000, -0.0008732000000000, 0.0008584400000000 ] - [ 0.0003794100000000, -0.0000926800000000, -0.0000865000000000 ] - [ 0.0002834400000000, 0.0000031100000000, 0.0002182700000000 ] - [ 0.0004114800000000, -0.0000300500000000, 0.0002601300000000 ] - [ 0.0040681100000000, 0.0009075600000000, -0.0010132700000000 ] - [ -0.0003819400000000, 0.0003112300000000, 0.0001644800000000 ] - [ -0.0000020000000000, -0.0000368600000000, -0.0001041000000000 ] - [ -0.0006753200000000, 0.0008959100000000, 0.0011745500000000 ] - [ 0.0005092600000000, 0.0001039400000000, -0.0003021300000000 ] - [ -0.0001748100000000, -0.0000088200000000, 0.0001196300000000 ] - [ 0.0010319000000000, 0.0001693200000000, -0.0003264600000000 ] - [ -0.0002724400000000, -0.0000483300000000, -0.0000013700000000 ] - [ 0.0002869200000000, 0.0003700100000000, 0.0001073800000000 ] - [ -0.0005619000000000, -0.0002346100000000, 0.0002674000000000 ] - [ 0.0001662200000000, -0.0003748700000000, 0.0001337600000000 ] - [ -0.0001367000000000, 0.0001283700000000, 0.0001992200000000 ] - [ 0.0041900700000000, -0.0024103700000000, 0.0011511300000000 ] - [ 0.0000807300000000, 0.0000946700000000, 0.0002908800000000 ] - [ -0.0000351300000000, -0.0001464900000000, -0.0003797800000000 ] - [ 0.0001620800000000, 0.0001854700000000, -0.0002573800000000 ] - [ -0.0023794700000000, -0.0005539800000000, 0.0001845800000000 ] - [ -0.0000560300000000, 0.0001011200000000, -0.0001749900000000 ] - [ -0.0001397800000000, 0.0001776300000000, 0.0004593500000000 ] - [ 0.0003137700000000, 0.0002044400000000, -0.0003935900000000 ] - [ -0.0007724100000000, 0.0012243700000000, -0.0005653900000000 ] - [ 0.0004240700000000, -0.0005687100000000, 0.0001031400000000 ] - [ 0.0003899600000000, 0.0003692300000000, 0.0002492300000000 ] - [ 0.0002420800000000, -0.0000975700000000, -0.0001623200000000 ] - [ -0.0014609300000000, -0.0037913800000000, -0.0004127600000000 ] - [ -0.0003557200000000, 0.0003263700000000, -0.0001044300000000 ] - [ 0.0011030900000000, 0.0017680100000000, -0.0019175100000000 ] - [ -0.0002544600000000, -0.0001621000000000, -0.0000777600000000 ] - [ -0.0001169300000000, 0.0002040200000000, -0.0004434300000000 ] - [ 0.0002715000000000, -0.0001461000000000, 0.0001405700000000 ] - [ -0.0003671000000000, -0.0001258200000000, 0.0000785200000000 ] - [ -0.0001028200000000, -0.0001281300000000, 0.0003472800000000 ] - [ 0.0458011300000000, -0.0197591500000000, -0.0188639100000000 ] - [ 0.0000835600000000, 0.0001485800000000, 0.0004298200000000 ] - [ -0.0006606900000000, 0.0001525600000000, 0.0004136000000000 ] - [ 0.0002096500000000, 0.0002323700000000, -0.0006140700000000 ] - [ 0.0004995800000000, 0.0004450200000000, 0.0005202200000000 ] - [ -0.0000752800000000, -0.0001038700000000, -0.0003068000000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002917300000000, 0.0001195000000000, 0.0002399500000000 ] - [ -0.0001486800000000, 0.0003936600000000, -0.0003038400000000 ] - [ 0.0016497300000000, -0.0010318100000000, 0.0012837400000000 ] - [ 0.0002349100000000, 0.0002873300000000, -0.0001111700000000 ] - [ -0.0005180500000000, 0.0007254400000000, 0.0010642100000000 ] - [ 0.0001680600000000, 0.0001725400000000, 0.0001903900000000 ] - [ 0.0062327000000000, 0.0032263200000000, 0.0046817400000000 ] - [ -0.0001763500000000, -0.0001423500000000, 0.0003136800000000 ] - [ 0.0011813500000000, -0.0005583800000000, 0.0002046000000000 ] - [ -0.0024350200000000, -0.0010027300000000, 0.0008870500000000 ] - [ 0.0003641200000000, 0.0001107200000000, 0.0002080500000000 ] - [ 0.0003056300000000, 0.0000377700000000, -0.0000985900000000 ] - [ 0.0567162200000000, -0.0231334000000000, -0.0266292500000000 ] - [ -0.0000610500000000, -0.0001835300000000, -0.0000742100000000 ] - [ 0.0000979700000000, -0.0004885400000000, 0.0004057600000000 ] - [ 0.0000380400000000, 0.0002942100000000, -0.0000478300000000 ] - [ 0.0001104000000000, -0.0005082100000000, 0.0002719000000000 ] - [ 0.0001082600000000, 0.0003171800000000, 0.0001379500000000 ] - [ -0.0029082300000000, 0.0006798300000000, -0.0006549900000000 ] - [ -0.0000028900000000, -0.0000917100000000, -0.0001322000000000 ] - [ -0.0006949900000000, -0.0009965600000000, 0.0026392700000000 ] - [ -0.0004956300000000, -0.0000253200000000, -0.0002190500000000 ] - [ 0.0014718400000000, -0.0004776500000000, -0.0012626800000000 ] - [ 0.0003782000000000, 0.0003550500000000, -0.0001243700000000 ] - [ 0.0001907400000000, -0.0003107700000000, -0.0000072500000000 ] - [ 0.0004321100000000, 0.0003526100000000, 0.0001135500000000 ] - [ -0.0049387700000000, 0.0061859100000000, 0.0061211700000000 ] - [ -0.0003901700000000, -0.0003191800000000, 0.0001648900000000 ] - [ -0.0000089000000000, 0.0004948500000000, 0.0000158400000000 ] - [ 0.0002970600000000, -0.0004916000000000, 0.0008130300000000 ] - [ -0.0001958100000000, -0.0002024600000000, -0.0002030200000000 ] - [ -0.0046229400000000, 0.0001439400000000, -0.0002491600000000 ] - [ -0.0000919800000000, -0.0001209800000000, 0.0000757800000000 ] - [ 0.0014627000000000, -0.0006425600000000, -0.0015032600000000 ] - [ 0.0003040400000000, 0.0004235500000000, 0.0003550400000000 ] - [ -0.0000421600000000, -0.0002529700000000, 0.0001591700000000 ] - [ -0.0003689700000000, -0.0001502600000000, -0.0001776800000000 ] - [ 0.0002081200000000, 0.0000846000000000, 0.0000221900000000 ] - [ -0.0019032900000000, -0.0004931900000000, 0.0007558900000000 ] - [ -0.0001867900000000, 0.0000537500000000, 0.0001049600000000 ] - [ 0.0001921700000000, 0.0001101700000000, 0.0010833100000000 ] - [ -0.0002106400000000, 0.0001127300000000, -0.0000771400000000 ] - [ 0.0043110200000000, -0.0052841800000000, -0.0077490200000000 ] - [ 0.0001315500000000, 0.0000363000000000, -0.0000044400000000 ] - [ 0.0005317800000000, 0.0005126700000000, -0.0001855100000000 ] - [ -0.0004519500000000, -0.0009467400000000, -0.0021979600000000 ] - [ -0.0003219800000000, 0.0008744200000000, 0.0000888100000000 ] - [ -0.0000634300000000, 0.0001337100000000, -0.0003434900000000 ] - [ -0.0039694100000000, 0.0002557600000000, 0.0017393600000000 ] - [ -0.0003626100000000, 0.0002171600000000, -0.0001698700000000 ] - [ -0.0004178600000000, 0.0014622300000000, -0.0004237200000000 ] - [ 0.0004255100000000, -0.0004871800000000, -0.0003627700000000 ] - [ 0.0005224000000000, 0.0005763000000000, -0.0006685200000000 ] - [ 0.0003922300000000, -0.0005508900000000, 0.0001860400000000 ] - [ -0.0044341800000000, -0.0012606800000000, 0.0005482700000000 ] - [ -0.0004237200000000, 0.0002636200000000, 0.0002821700000000 ] - [ -0.0001113900000000, 0.0000376500000000, -0.0006750200000000 ] - [ 0.0005663600000000, -0.0009063900000000, -0.0004099000000000 ] - [ -0.0003997100000000, -0.0001063600000000, -0.0004756200000000 ] - [ 0.0002911800000000, 0.0000013000000000, 0.0006485400000000 ] - [ -0.0012771600000000, -0.0001728200000000, 0.0006518100000000 ] - [ 0.0000410100000000, 0.0000486900000000, -0.0003201000000000 ] - [ -0.0000567700000000, -0.0003708100000000, 0.0002137200000000 ] - [ 0.0007930500000000, 0.0002244500000000, -0.0005819400000000 ] - [ -0.0003632900000000, 0.0004513900000000, -0.0007430100000000 ] - [ -0.0000569400000000, -0.0002072000000000, 0.0004112100000000 ] - [ -0.0040473900000000, 0.0024159800000000, -0.0018333900000000 ] - [ 0.0001123100000000, -0.0000209900000000, 0.0003164100000000 ] - [ 0.0002355300000000, 0.0000741000000000, 0.0009870700000000 ] - [ 0.0000307300000000, -0.0001128000000000, -0.0003498100000000 ] - [ 0.0022102900000000, 0.0006400300000000, 0.0004364600000000 ] - [ -0.0001387800000000, -0.0001783700000000, -0.0004344300000000 ] - [ -0.0000656100000000, -0.0001791300000000, 0.0003092700000000 ] - [ -0.0005210400000000, -0.0002058200000000, -0.0003726500000000 ] - [ 0.0009896700000000, -0.0012317300000000, 0.0013489300000000 ] - [ -0.0002230600000000, 0.0005718700000000, -0.0008754200000000 ] - [ 0.0001587500000000, 0.0001715200000000, -0.0000323700000000 ] - [ 0.0003065900000000, -0.0004435900000000, -0.0000558100000000 ] - [ 0.0007964800000000, 0.0031683200000000, 0.0006258700000000 ] - [ -0.0001931200000000, 0.0002121000000000, -0.0001141500000000 ] - [ -0.0016114300000000, -0.0023402500000000, 0.0017155900000000 ] - [ -0.0002957800000000, 0.0007043200000000, 0.0002964800000000 ] - [ 0.0006664900000000, 0.0003373400000000, 0.0002258000000000 ] - [ 0.0002755800000000, -0.0003950000000000, 0.0000769000000000 ] - [ 0.0001385200000000, 0.0003911900000000, -0.0008223200000000 ] - [ -0.0001273900000000, -0.0001337800000000, 0.0003911800000000 ] - [ -0.0456090200000000, 0.0193015600000000, 0.0179710300000000 ] - [ 0.0001436700000000, 0.0001118200000000, 0.0003050600000000 ] - [ 0.0008865900000000, -0.0004045300000000, 0.0003107200000000 ] - [ 0.0000187500000000, 0.0000258400000000, -0.0001168100000000 ] - [ -0.0007295100000000, -0.0001815000000000, 0.0002249400000000 ] - [ -0.0001548900000000, -0.0001583700000000, -0.0004309800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001216800000000, -0.0008121600000000, 0.0006512400000000 ] - [ -0.0000410100000000, 0.0011676300000000, -0.0003411100000000 ] - [ 0.0021266100000000, 0.0014137900000000, -0.0028380700000000 ] - [ 0.0002893000000000, 0.0011570000000000, 0.0003692100000000 ] - [ -0.0006365300000000, 0.0006477100000000, 0.0023633600000000 ] - [ 0.0002532100000000, 0.0013918700000000, -0.0003651000000000 ] - [ -0.0044184200000000, -0.0009203400000000, 0.0100374100000000 ] - [ -0.0000938500000000, 0.0003189700000000, 0.0001972800000000 ] - [ -0.0002326900000000, 0.0028086500000000, -0.0008042400000000 ] - [ -0.0002057100000000, 0.0021090600000000, -0.0014950800000000 ] - [ 0.0003695800000000, 0.0003887300000000, -0.0000822500000000 ] - [ 0.0003465700000000, 0.0004107600000000, -0.0003579900000000 ] - [ 0.0230234000000000, -0.0710883400000000, -0.0555852300000000 ] - [ -0.0000850100000000, 0.0008147600000000, -0.0000027600000000 ] - [ 0.0003886500000000, -0.0015707600000000, 0.0008078400000000 ] - [ 0.0001940900000000, 0.0011321900000000, -0.0003446600000000 ] - [ 0.0004093400000000, -0.0025594500000000, -0.0007003900000000 ] - [ 0.0002164100000000, 0.0010432000000000, 0.0003724100000000 ] - [ -0.0005859600000000, -0.0032794500000000, 0.0008983200000000 ] - [ 0.0000066400000000, 0.0009971500000000, -0.0002743800000000 ] - [ 0.0009527000000000, -0.0021415700000000, -0.0018161500000000 ] - [ -0.0002945100000000, 0.0008793800000000, 0.0000069300000000 ] - [ 0.0008864700000000, -0.0009276200000000, -0.0021530800000000 ] - [ 0.0004075200000000, 0.0008123400000000, -0.0001442600000000 ] - [ 0.0002301800000000, -0.0006635200000000, 0.0001689500000000 ] - [ 0.0004455200000000, 0.0009967100000000, 0.0000863500000000 ] - [ -0.0026560600000000, -0.0023420500000000, 0.0005522900000000 ] - [ -0.0002004500000000, 0.0004743300000000, -0.0001771700000000 ] - [ -0.0001312600000000, 0.0011521700000000, 0.0003656400000000 ] - [ 0.0003125500000000, -0.0008705300000000, 0.0013702800000000 ] - [ -0.0000954000000000, 0.0015144800000000, 0.0001789000000000 ] - [ -0.0008556700000000, 0.0039199100000000, 0.0009197900000000 ] - [ -0.0001529600000000, 0.0016182500000000, 0.0000230200000000 ] - [ 0.0015706700000000, 0.0033269400000000, 0.0026496800000000 ] - [ 0.0006359000000000, 0.0010978600000000, 0.0006279400000000 ] - [ 0.0000175200000000, -0.0007320700000000, 0.0008791000000000 ] - [ 0.0003339000000000, -0.0011803600000000, -0.0006395500000000 ] - [ 0.0002690900000000, 0.0008636900000000, 0.0002917400000000 ] - [ -0.0030832400000000, -0.0015732100000000, -0.0022432000000000 ] - [ -0.0001865800000000, 0.0006280300000000, 0.0001293400000000 ] - [ 0.0000972400000000, -0.0005342300000000, 0.0016841200000000 ] - [ -0.0001884100000000, 0.0008394200000000, -0.0001237300000000 ] - [ 0.0016870200000000, -0.0038153200000000, 0.0009661500000000 ] - [ 0.0002558400000000, 0.0006026900000000, -0.0003221500000000 ] - [ 0.0003649700000000, 0.0006668600000000, -0.0009945800000000 ] - [ -0.0000933800000000, 0.0011261500000000, 0.0004379600000000 ] - [ -0.0000143100000000, 0.0014151200000000, -0.0007360600000000 ] - [ 0.0002523300000000, 0.0003446900000000, 0.0002333100000000 ] - [ -0.0012694400000000, 0.0067486200000000, 0.0020244200000000 ] - [ -0.0002703600000000, -0.0013616600000000, -0.0001039900000000 ] - [ -0.0006411600000000, 0.0038399800000000, -0.0017928200000000 ] - [ 0.0004758300000000, -0.0013923800000000, -0.0003240100000000 ] - [ 0.0005932100000000, 0.0018486800000000, -0.0006402600000000 ] - [ 0.0004600300000000, -0.0015763600000000, 0.0000417900000000 ] - [ -0.0001699600000000, 0.0051650300000000, -0.0001977500000000 ] - [ -0.0003517100000000, -0.0012198300000000, 0.0001577900000000 ] - [ -0.0001829100000000, 0.0000421500000000, -0.0009031200000000 ] - [ 0.0005976800000000, -0.0016832200000000, -0.0012781900000000 ] - [ -0.0001797300000000, -0.0033818300000000, -0.0002628900000000 ] - [ 0.0000676100000000, -0.0018813900000000, -0.0004733100000000 ] - [ -0.0010832200000000, -0.0010754200000000, -0.0003585300000000 ] - [ 0.0002759300000000, 0.0000601700000000, 0.0000414400000000 ] - [ 0.0001371800000000, -0.0011652300000000, -0.0008467500000000 ] - [ 0.0004407400000000, -0.0016606100000000, 0.0004496300000000 ] - [ -0.0004600400000000, 0.0014888000000000, -0.0003963300000000 ] - [ -0.0002218700000000, -0.0013839000000000, 0.0001245200000000 ] - [ -0.0013179400000000, 0.0084605300000000, -0.0020749600000000 ] - [ -0.0000368000000000, -0.0011248400000000, 0.0001151300000000 ] - [ -0.0004925500000000, 0.0012663600000000, -0.0012186800000000 ] - [ -0.0001057500000000, -0.0014314100000000, -0.0001926800000000 ] - [ 0.0021141300000000, 0.0033567700000000, -0.0004234400000000 ] - [ -0.0002484300000000, -0.0009344000000000, -0.0002389900000000 ] - [ -0.0001971400000000, -0.0004334800000000, 0.0001836900000000 ] - [ -0.0005285000000000, -0.0010255200000000, 0.0003508100000000 ] - [ 0.0006394200000000, -0.0023115800000000, 0.0008985300000000 ] - [ -0.0001920600000000, -0.0001601200000000, 0.0009250200000000 ] - [ 0.0002129600000000, 0.0004648700000000, 0.0001446300000000 ] - [ 0.0003600700000000, -0.0011800000000000, 0.0001440300000000 ] - [ -0.0015430400000000, 0.0011049800000000, 0.0006317000000000 ] - [ -0.0002400200000000, -0.0011515500000000, 0.0004220100000000 ] - [ 0.0010072600000000, 0.0004567700000000, 0.0029695000000000 ] - [ -0.0003332000000000, -0.0014307500000000, 0.0001737100000000 ] - [ 0.0006779800000000, 0.0003959400000000, 0.0010648300000000 ] - [ 0.0003004700000000, -0.0010467100000000, 0.0000988500000000 ] - [ -0.0000196200000000, 0.0008250100000000, -0.0014977900000000 ] - [ -0.0003860600000000, -0.0003928400000000, 0.0009622800000000 ] - [ -0.0181464400000000, 0.0508944000000000, 0.0449893000000000 ] - [ -0.0001394800000000, 0.0000476500000000, 0.0001762800000000 ] - [ -0.0007508900000000, 0.0002266500000000, -0.0007077900000000 ] - [ -0.0002861800000000, -0.0000953700000000, 0.0001808200000000 ] - [ -0.0004567900000000, 0.0011012300000000, 0.0027883000000000 ] - [ -0.0003226500000000, -0.0003636900000000, -0.0008540900000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004973600000000, 0.0011464100000000, -0.0003616800000000 ] - [ -0.0003359000000000, -0.0014941700000000, 0.0000472600000000 ] - [ -0.0017350600000000, -0.0017306300000000, 0.0031165200000000 ] - [ 0.0000869400000000, -0.0008252700000000, -0.0006636100000000 ] - [ 0.0010092000000000, -0.0009750600000000, -0.0026463400000000 ] - [ 0.0001235200000000, -0.0010579700000000, 0.0006589600000000 ] - [ 0.0040868200000000, 0.0012388600000000, -0.0104802200000000 ] - [ -0.0002825500000000, -0.0006487000000000, 0.0000956100000000 ] - [ -0.0004562100000000, -0.0028268200000000, 0.0011475900000000 ] - [ -0.0004852500000000, -0.0021164900000000, 0.0011585300000000 ] - [ 0.0003171000000000, -0.0003876900000000, 0.0004202400000000 ] - [ 0.0003398800000000, -0.0004082200000000, 0.0000151600000000 ] - [ -0.0237231800000000, 0.0718559100000000, 0.0575710300000000 ] - [ -0.0000735600000000, -0.0011732600000000, -0.0001258400000000 ] - [ -0.0002292000000000, 0.0012067600000000, -0.0006798800000000 ] - [ -0.0000347400000000, -0.0007685800000000, 0.0002130400000000 ] - [ -0.0002481900000000, 0.0021928100000000, 0.0005685400000000 ] - [ -0.0000551900000000, -0.0006772500000000, -0.0002380100000000 ] - [ 0.0004273200000000, 0.0036342800000000, -0.0010325800000000 ] - [ -0.0001656100000000, -0.0013556100000000, 0.0004039500000000 ] - [ -0.0017051800000000, 0.0026324700000000, 0.0019968900000000 ] - [ -0.0004818700000000, -0.0013505500000000, -0.0002290500000000 ] - [ -0.0001076800000000, 0.0004525000000000, 0.0023640500000000 ] - [ 0.0003669800000000, -0.0003364000000000, -0.0000775300000000 ] - [ 0.0005502800000000, 0.0001862800000000, -0.0003936200000000 ] - [ 0.0003324800000000, -0.0005185800000000, 0.0001344400000000 ] - [ 0.0018704900000000, 0.0028453200000000, -0.0007778100000000 ] - [ -0.0005787400000000, -0.0009468300000000, 0.0004010100000000 ] - [ 0.0004698000000000, -0.0007885100000000, -0.0005576300000000 ] - [ 0.0000252000000000, 0.0005073400000000, -0.0011810500000000 ] - [ -0.0002420000000000, -0.0018733500000000, -0.0003700800000000 ] - [ 0.0005014100000000, -0.0035577800000000, -0.0007219700000000 ] - [ -0.0001849700000000, -0.0019769200000000, 0.0001697600000000 ] - [ -0.0018952800000000, -0.0029543800000000, -0.0028221900000000 ] - [ -0.0002973400000000, -0.0007330500000000, -0.0004349800000000 ] - [ 0.0003212200000000, 0.0003695700000000, -0.0010699700000000 ] - [ 0.0000500400000000, 0.0011725900000000, 0.0004262700000000 ] - [ 0.0001033100000000, -0.0008555000000000, -0.0000821500000000 ] - [ 0.0026989500000000, 0.0015722400000000, 0.0020311500000000 ] - [ -0.0001814300000000, -0.0006324300000000, 0.0000784500000000 ] - [ -0.0004685500000000, 0.0005365500000000, -0.0014715300000000 ] - [ -0.0001823600000000, -0.0008424600000000, -0.0000871500000000 ] - [ -0.0013154100000000, 0.0038383600000000, -0.0007234600000000 ] - [ 0.0001166100000000, -0.0005955000000000, 0.0001124100000000 ] - [ -0.0003393300000000, -0.0006672500000000, 0.0016447400000000 ] - [ 0.0001231600000000, -0.0011259900000000, -0.0010898700000000 ] - [ -0.0000144300000000, -0.0014106300000000, 0.0013823800000000 ] - [ -0.0002801300000000, -0.0003441000000000, -0.0008814600000000 ] - [ 0.0003460600000000, -0.0071796700000000, -0.0013501900000000 ] - [ -0.0005283200000000, 0.0019421400000000, -0.0003388100000000 ] - [ 0.0014452500000000, -0.0032481800000000, 0.0022369400000000 ] - [ 0.0003230100000000, 0.0008056200000000, -0.0001194000000000 ] - [ 0.0002045800000000, -0.0012607100000000, 0.0002025100000000 ] - [ 0.0003386400000000, 0.0009884000000000, 0.0003995400000000 ] - [ -0.0005069200000000, -0.0056802600000000, -0.0002526900000000 ] - [ -0.0004465100000000, 0.0018009700000000, 0.0002835600000000 ] - [ 0.0000712300000000, -0.0000426600000000, 0.0001281400000000 ] - [ -0.0007092100000000, 0.0016811400000000, 0.0020482100000000 ] - [ 0.0002932400000000, 0.0033639600000000, -0.0005144100000000 ] - [ 0.0000438500000000, 0.0018793800000000, 0.0012451500000000 ] - [ 0.0008494500000000, 0.0010700900000000, 0.0006757300000000 ] - [ -0.0005052800000000, -0.0000614000000000, -0.0003613800000000 ] - [ 0.0000931600000000, 0.0011633300000000, 0.0011632600000000 ] - [ -0.0002127800000000, 0.0016554700000000, -0.0007705200000000 ] - [ 0.0002743600000000, -0.0014001100000000, -0.0002023400000000 ] - [ 0.0000344800000000, 0.0012941300000000, 0.0004806900000000 ] - [ 0.0013684100000000, -0.0083601400000000, 0.0012397200000000 ] - [ 0.0002237200000000, 0.0012085700000000, 0.0004884800000000 ] - [ 0.0006792800000000, -0.0013425300000000, 0.0018225900000000 ] - [ 0.0002929200000000, 0.0015137800000000, -0.0004116800000000 ] - [ -0.0023116200000000, -0.0032596500000000, 0.0010215000000000 ] - [ 0.0000608900000000, 0.0008463100000000, -0.0003663600000000 ] - [ -0.0000023400000000, 0.0004333300000000, 0.0005842300000000 ] - [ 0.0003294000000000, 0.0010193800000000, -0.0011143000000000 ] - [ -0.0004369200000000, 0.0023046200000000, -0.0001232000000000 ] - [ 0.0003919700000000, 0.0001544300000000, -0.0016967200000000 ] - [ 0.0003343100000000, 0.0000604800000000, 0.0000727300000000 ] - [ 0.0001875500000000, 0.0006529500000000, -0.0003582100000000 ] - [ 0.0008953800000000, -0.0017482800000000, -0.0004141600000000 ] - [ -0.0003079600000000, 0.0016752600000000, -0.0006375300000000 ] - [ -0.0015193600000000, -0.0010537000000000, -0.0031471600000000 ] - [ -0.0002123500000000, 0.0019545200000000, 0.0000424300000000 ] - [ -0.0001286000000000, 0.0001269900000000, -0.0012719000000000 ] - [ 0.0002461500000000, 0.0005200700000000, 0.0001156000000000 ] - [ -0.0002106000000000, -0.0005589600000000, 0.0007533400000000 ] - [ 0.0001548100000000, 0.0001282100000000, -0.0002194100000000 ] - [ 0.0190653300000000, -0.0518359200000000, -0.0474571600000000 ] - [ 0.0003688900000000, 0.0002158600000000, 0.0005630500000000 ] - [ 0.0009692500000000, -0.0004807700000000, 0.0014439500000000 ] - [ 0.0005160700000000, 0.0003578600000000, -0.0009185300000000 ] - [ 0.0002214300000000, -0.0008354100000000, -0.0020353000000000 ] - [ 0.0000917200000000, 0.0000987400000000, 0.0001116700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001956000000000, -0.0007999900000000, 0.0016846200000000 ] - [ -0.0000900200000000, 0.0014093000000000, -0.0007159800000000 ] - [ -0.0010612900000000, -0.0015537300000000, -0.0007823600000000 ] - [ 0.0002151900000000, 0.0007795500000000, 0.0001749300000000 ] - [ -0.0011640100000000, 0.0019517200000000, 0.0031666300000000 ] - [ 0.0002174400000000, 0.0002156100000000, -0.0002302400000000 ] - [ -0.0055170900000000, 0.0082875200000000, 0.0036748600000000 ] - [ -0.0001924200000000, -0.0003904000000000, 0.0005920400000000 ] - [ -0.0004435700000000, -0.0011639100000000, -0.0018618300000000 ] - [ 0.0006091700000000, -0.0018201800000000, -0.0020876500000000 ] - [ 0.0003309000000000, 0.0000322200000000, 0.0009891400000000 ] - [ 0.0003856000000000, -0.0002182300000000, 0.0006537500000000 ] - [ 0.0262738200000000, -0.0551130300000000, -0.1213259800000000 ] - [ -0.0000914400000000, -0.0001198000000000, -0.0002224300000000 ] - [ 0.0004213600000000, -0.0009231100000000, 0.0019654800000000 ] - [ 0.0000637300000000, 0.0004592900000000, 0.0000341400000000 ] - [ -0.0002520100000000, -0.0008115500000000, 0.0010490100000000 ] - [ 0.0001518000000000, 0.0004860300000000, 0.0005867800000000 ] - [ -0.0006850800000000, -0.0007839700000000, -0.0000155600000000 ] - [ 0.0001146400000000, 0.0001567800000000, -0.0006610500000000 ] - [ -0.0040403600000000, -0.0028020400000000, 0.0047893400000000 ] - [ -0.0005875000000000, 0.0003149600000000, -0.0005384300000000 ] - [ 0.0003749600000000, -0.0009231800000000, 0.0013968000000000 ] - [ 0.0003177900000000, 0.0005090200000000, 0.0001611900000000 ] - [ -0.0001380700000000, -0.0001654700000000, 0.0010960000000000 ] - [ 0.0003928800000000, 0.0002163500000000, 0.0001806300000000 ] - [ -0.0026169400000000, -0.0011536600000000, -0.0066328900000000 ] - [ -0.0003680700000000, -0.0005979600000000, 0.0000480800000000 ] - [ -0.0002501300000000, 0.0010062300000000, 0.0006572300000000 ] - [ 0.0003215000000000, -0.0006611000000000, 0.0028461900000000 ] - [ -0.0002150800000000, 0.0006406600000000, -0.0004561900000000 ] - [ -0.0008819700000000, 0.0019118500000000, -0.0040225700000000 ] - [ -0.0001668900000000, 0.0003837800000000, -0.0005751900000000 ] - [ 0.0019445900000000, 0.0037800300000000, -0.0004311600000000 ] - [ 0.0007197600000000, 0.0008255300000000, 0.0013717600000000 ] - [ 0.0000751900000000, -0.0001683700000000, 0.0017630000000000 ] - [ -0.0008626200000000, 0.0000865600000000, 0.0015556200000000 ] - [ 0.0001239800000000, 0.0003463400000000, -0.0001682300000000 ] - [ 0.0018647900000000, -0.0005943400000000, -0.0005413400000000 ] - [ -0.0002686600000000, 0.0001990000000000, 0.0002309800000000 ] - [ -0.0000385500000000, 0.0004342900000000, 0.0026522600000000 ] - [ -0.0001639300000000, 0.0001195100000000, -0.0002428800000000 ] - [ 0.0007261500000000, 0.0029632800000000, 0.0030672900000000 ] - [ 0.0001531600000000, -0.0000383500000000, 0.0001101000000000 ] - [ 0.0000088000000000, -0.0015788800000000, 0.0017482000000000 ] - [ -0.0000791000000000, 0.0000643600000000, -0.0025682000000000 ] - [ 0.0005450200000000, -0.0013109000000000, 0.0005543300000000 ] - [ 0.0001376900000000, 0.0004032800000000, 0.0005454800000000 ] - [ -0.0014232100000000, 0.0012174200000000, 0.0079077800000000 ] - [ -0.0003055700000000, -0.0000954500000000, 0.0002991300000000 ] - [ -0.0008696300000000, 0.0021504900000000, -0.0035318200000000 ] - [ 0.0004800600000000, -0.0006827800000000, -0.0008715900000000 ] - [ 0.0007341400000000, 0.0008075300000000, -0.0026736100000000 ] - [ 0.0003787100000000, -0.0009485100000000, -0.0000952900000000 ] - [ -0.0021247500000000, -0.0008470300000000, 0.0058921900000000 ] - [ -0.0004262500000000, -0.0000539600000000, 0.0004701000000000 ] - [ -0.0001283500000000, 0.0002206100000000, -0.0019511900000000 ] - [ 0.0007270400000000, -0.0022485200000000, -0.0021510200000000 ] - [ 0.0001596200000000, -0.0008072800000000, 0.0014174000000000 ] - [ -0.0000577500000000, -0.0014630200000000, 0.0007355600000000 ] - [ -0.0022263300000000, -0.0018685800000000, 0.0003401100000000 ] - [ -0.0002704100000000, 0.0006655600000000, -0.0015591400000000 ] - [ -0.0000692000000000, -0.0014961100000000, -0.0005344000000000 ] - [ -0.0001712100000000, 0.0004508200000000, 0.0010263400000000 ] - [ -0.0003060700000000, 0.0007826600000000, -0.0029537600000000 ] - [ -0.0000656400000000, -0.0007144400000000, 0.0004698600000000 ] - [ 0.0023505800000000, -0.0045741100000000, 0.0085759900000000 ] - [ 0.0000631600000000, -0.0002752200000000, 0.0001856500000000 ] - [ -0.0005672100000000, -0.0010631900000000, -0.0014140900000000 ] - [ 0.0000693000000000, -0.0002009900000000, 0.0000849500000000 ] - [ 0.0020382100000000, 0.0011603200000000, -0.0002265000000000 ] - [ -0.0001475300000000, -0.0000190100000000, -0.0008424800000000 ] - [ -0.0000684800000000, -0.0006321900000000, -0.0004286400000000 ] - [ 0.0000245600000000, 0.0009358000000000, -0.0008865500000000 ] - [ 0.0012843500000000, -0.0021947200000000, 0.0039070700000000 ] - [ 0.0002594400000000, 0.0017638600000000, -0.0003707500000000 ] - [ 0.0002273000000000, 0.0002371500000000, -0.0015190200000000 ] - [ 0.0002584600000000, -0.0002497500000000, -0.0005424500000000 ] - [ 0.0017717900000000, 0.0015353100000000, 0.0052684300000000 ] - [ -0.0001987400000000, 0.0009037800000000, 0.0004853800000000 ] - [ -0.0027806300000000, 0.0052545100000000, 0.0004185200000000 ] - [ -0.0002394100000000, 0.0003542000000000, 0.0010943600000000 ] - [ 0.0001335700000000, 0.0008314900000000, -0.0017950600000000 ] - [ 0.0002865600000000, -0.0004700500000000, -0.0004323500000000 ] - [ 0.0005606400000000, 0.0011447400000000, -0.0019679700000000 ] - [ -0.0001175600000000, -0.0002074400000000, 0.0004927900000000 ] - [ -0.0166874000000000, 0.0469988500000000, 0.0925337300000000 ] - [ 0.0002128900000000, 0.0001116600000000, 0.0003417300000000 ] - [ 0.0017447000000000, -0.0001275600000000, -0.0007734000000000 ] - [ -0.0000687000000000, -0.0001782400000000, 0.0004122800000000 ] - [ -0.0004149800000000, -0.0000733000000000, 0.0006676100000000 ] - [ -0.0001495700000000, -0.0003262200000000, -0.0007715300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001836800000000, 0.0011324900000000, -0.0013936500000000 ] - [ -0.0002880400000000, -0.0017517200000000, 0.0004268600000000 ] - [ 0.0014362600000000, 0.0012205000000000, 0.0010937100000000 ] - [ 0.0001594100000000, -0.0004508400000000, -0.0004725500000000 ] - [ 0.0015298400000000, -0.0022676300000000, -0.0034432700000000 ] - [ 0.0001579700000000, 0.0001115400000000, 0.0005274100000000 ] - [ 0.0052695100000000, -0.0081941800000000, -0.0041379800000000 ] - [ -0.0001842800000000, 0.0000575200000000, -0.0003008900000000 ] - [ -0.0002555400000000, 0.0011788800000000, 0.0022002900000000 ] - [ -0.0012764000000000, 0.0018287000000000, 0.0017330800000000 ] - [ 0.0003555900000000, -0.0000321000000000, -0.0006467700000000 ] - [ 0.0003003900000000, 0.0002181900000000, -0.0009939100000000 ] - [ -0.0274657800000000, 0.0580722600000000, 0.1247954900000000 ] - [ -0.0000683400000000, -0.0002413900000000, 0.0000920800000000 ] - [ -0.0002639400000000, 0.0005664500000000, -0.0018374700000000 ] - [ 0.0000947800000000, -0.0001000000000000, -0.0001633300000000 ] - [ 0.0004096000000000, 0.0004612900000000, -0.0011709900000000 ] - [ 0.0000083900000000, -0.0001239700000000, -0.0004552700000000 ] - [ 0.0005247900000000, 0.0011447700000000, -0.0001393200000000 ] - [ -0.0002756200000000, -0.0005202800000000, 0.0007953000000000 ] - [ 0.0032306800000000, 0.0032498400000000, -0.0045380200000000 ] - [ -0.0001870700000000, -0.0007922800000000, 0.0003183000000000 ] - [ 0.0003945100000000, 0.0004519400000000, -0.0011607100000000 ] - [ 0.0004562300000000, -0.0000353000000000, -0.0003836700000000 ] - [ 0.0009146500000000, -0.0003074700000000, -0.0013167500000000 ] - [ 0.0003837800000000, 0.0002570600000000, 0.0000407200000000 ] - [ 0.0018222500000000, 0.0017024200000000, 0.0065174100000000 ] - [ -0.0004095200000000, 0.0001232900000000, 0.0001739700000000 ] - [ 0.0005904400000000, -0.0006507100000000, -0.0008513300000000 ] - [ 0.0000142800000000, 0.0003002200000000, -0.0026613100000000 ] - [ -0.0001232300000000, -0.0010049400000000, 0.0002619800000000 ] - [ 0.0005333000000000, -0.0015774000000000, 0.0041918600000000 ] - [ -0.0001710200000000, -0.0007510300000000, 0.0007676400000000 ] - [ -0.0022711400000000, -0.0034129600000000, 0.0002136100000000 ] - [ -0.0003861400000000, -0.0004690400000000, -0.0011845900000000 ] - [ 0.0002641900000000, -0.0001894000000000, -0.0019563800000000 ] - [ 0.0012290700000000, -0.0000897400000000, -0.0017631000000000 ] - [ 0.0002461500000000, -0.0003416600000000, 0.0003788700000000 ] - [ -0.0022349400000000, 0.0006005500000000, 0.0003433100000000 ] - [ -0.0000986000000000, -0.0002051200000000, -0.0000242100000000 ] - [ -0.0003327400000000, -0.0004255200000000, -0.0024333900000000 ] - [ -0.0002060500000000, -0.0001259600000000, 0.0000332100000000 ] - [ -0.0003857400000000, -0.0030116900000000, -0.0028991100000000 ] - [ 0.0002190300000000, 0.0000434200000000, -0.0003216000000000 ] - [ 0.0000178400000000, 0.0015763900000000, -0.0011039200000000 ] - [ 0.0001104300000000, -0.0000528700000000, 0.0019414200000000 ] - [ -0.0005758400000000, 0.0013173100000000, 0.0000916300000000 ] - [ -0.0001664800000000, -0.0004018600000000, -0.0011942400000000 ] - [ 0.0004007800000000, -0.0015042400000000, -0.0070025800000000 ] - [ -0.0004950000000000, 0.0006809300000000, -0.0007434100000000 ] - [ 0.0016768800000000, -0.0015871800000000, 0.0039831200000000 ] - [ 0.0003184500000000, 0.0001033300000000, 0.0004298700000000 ] - [ 0.0000634300000000, -0.0002286200000000, 0.0022300900000000 ] - [ 0.0004199700000000, 0.0003694300000000, 0.0005377100000000 ] - [ 0.0013365800000000, 0.0002932300000000, -0.0063074200000000 ] - [ -0.0003727600000000, 0.0006386700000000, -0.0000271400000000 ] - [ 0.0000162500000000, -0.0002172900000000, 0.0011793500000000 ] - [ -0.0008478300000000, 0.0022653400000000, 0.0029385600000000 ] - [ -0.0000452900000000, 0.0008191600000000, -0.0021904000000000 ] - [ 0.0001695600000000, 0.0014660400000000, 0.0000439200000000 ] - [ 0.0020191000000000, 0.0018797900000000, -0.0000254100000000 ] - [ 0.0000410300000000, -0.0006619800000000, 0.0012429400000000 ] - [ 0.0002974600000000, 0.0014899300000000, 0.0008546600000000 ] - [ 0.0004049900000000, -0.0004476300000000, -0.0013537800000000 ] - [ 0.0001194600000000, -0.0006964200000000, 0.0023427800000000 ] - [ -0.0001232600000000, 0.0006331400000000, 0.0001331500000000 ] - [ -0.0023219000000000, 0.0047502300000000, -0.0093922500000000 ] - [ 0.0001241200000000, 0.0003609900000000, 0.0004199100000000 ] - [ 0.0007474200000000, 0.0009685000000000, 0.0020156000000000 ] - [ 0.0001186900000000, 0.0002880200000000, -0.0006912200000000 ] - [ -0.0022526700000000, -0.0010918100000000, 0.0008141000000000 ] - [ -0.0000401400000000, -0.0000640600000000, 0.0002390800000000 ] - [ -0.0001320500000000, 0.0006303300000000, 0.0011959900000000 ] - [ -0.0002270500000000, -0.0009334200000000, 0.0001186600000000 ] - [ -0.0011006600000000, 0.0022063500000000, -0.0031658100000000 ] - [ -0.0000580200000000, -0.0017591500000000, -0.0003898300000000 ] - [ 0.0003198100000000, 0.0002871800000000, 0.0017289500000000 ] - [ 0.0002888000000000, -0.0002752300000000, 0.0003271200000000 ] - [ -0.0023598000000000, -0.0021137100000000, -0.0050364700000000 ] - [ -0.0003484500000000, -0.0003775300000000, -0.0006995400000000 ] - [ 0.0022638500000000, -0.0058224600000000, -0.0005601700000000 ] - [ -0.0003096400000000, 0.0001667800000000, -0.0008827800000000 ] - [ 0.0004134500000000, -0.0003045900000000, 0.0015762600000000 ] - [ 0.0002595900000000, -0.0000556200000000, 0.0006458000000000 ] - [ -0.0007857700000000, -0.0008792500000000, 0.0012221300000000 ] - [ -0.0001126300000000, -0.0000561900000000, 0.0002471000000000 ] - [ 0.0183334100000000, -0.0501498700000000, -0.0968490900000000 ] - [ 0.0000167300000000, 0.0001540900000000, 0.0004011900000000 ] - [ -0.0015032200000000, -0.0001483700000000, 0.0015214800000000 ] - [ 0.0003005700000000, 0.0004438100000000, -0.0011584400000000 ] - [ 0.0001837200000000, 0.0003295500000000, 0.0000653400000000 ] - [ -0.0000811900000000, 0.0000618300000000, 0.0000304800000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029786600000000, 0.0027753600000000, -0.0009720400000000 ] - [ -0.0002155600000000, -0.0002514300000000, -0.0002827200000000 ] - [ 0.0003942000000000, -0.0002545200000000, 0.0000802900000000 ] - [ 0.0001904000000000, 0.0000616700000000, -0.0001023000000000 ] - [ -0.0004955800000000, -0.0002985400000000, 0.0001752400000000 ] - [ 0.0001645800000000, 0.0001525400000000, 0.0001199300000000 ] - [ -0.0000252100000000, -0.0003152500000000, -0.0008225600000000 ] - [ -0.0001248200000000, 0.0002372900000000, 0.0000904200000000 ] - [ -0.0015293800000000, -0.0023737400000000, -0.0013284300000000 ] - [ 0.0030263500000000, -0.0020259600000000, -0.0001483200000000 ] - [ 0.0003422400000000, -0.0001581600000000, 0.0000087500000000 ] - [ 0.0003534300000000, -0.0000845200000000, -0.0003260700000000 ] - [ 0.0002189100000000, 0.0015152800000000, -0.0035668600000000 ] - [ 0.0000266700000000, -0.0002732300000000, 0.0001373800000000 ] - [ -0.0010019300000000, 0.0003244700000000, 0.0000740800000000 ] - [ 0.0000896800000000, 0.0001596300000000, -0.0001323400000000 ] - [ 0.0002799900000000, -0.0003384900000000, -0.0005837500000000 ] - [ 0.0000397700000000, 0.0001269300000000, 0.0000620500000000 ] - [ 0.0045214100000000, -0.0020575300000000, 0.0021522800000000 ] - [ -0.0000832800000000, -0.0003720700000000, 0.0000884600000000 ] - [ -0.1314490700000000, 0.0114944500000000, 0.0411285500000000 ] - [ -0.0003849300000000, -0.0004041800000000, -0.0002583200000000 ] - [ 0.0003733800000000, -0.0001911200000000, -0.0000994800000000 ] - [ 0.0003850800000000, 0.0001524800000000, -0.0001102300000000 ] - [ -0.0001012600000000, -0.0008900400000000, -0.0005260500000000 ] - [ 0.0003722200000000, 0.0002040000000000, 0.0000411500000000 ] - [ 0.0003984600000000, 0.0007761800000000, -0.0010844900000000 ] - [ -0.0006732600000000, 0.0005035400000000, 0.0003816900000000 ] - [ 0.0003458400000000, 0.0003025800000000, -0.0003189200000000 ] - [ 0.0018055400000000, -0.0010420400000000, 0.0005743200000000 ] - [ -0.0001976300000000, -0.0002606800000000, 0.0000010900000000 ] - [ -0.0008592400000000, 0.0009051200000000, -0.0006311900000000 ] - [ -0.0001579300000000, -0.0001863300000000, 0.0001973300000000 ] - [ 0.0002026300000000, 0.0001278300000000, 0.0005958100000000 ] - [ 0.0001268400000000, 0.0002722100000000, -0.0000431900000000 ] - [ -0.0000001700000000, 0.0002294200000000, -0.0008120500000000 ] - [ 0.0138680000000000, -0.0025889700000000, -0.0076044000000000 ] - [ 0.0001058600000000, -0.0000536600000000, -0.0000660500000000 ] - [ -0.0003908400000000, 0.0000568300000000, -0.0001951600000000 ] - [ -0.0001986800000000, -0.0000791700000000, 0.0001228900000000 ] - [ 0.0002544600000000, 0.0012878800000000, 0.0011105700000000 ] - [ -0.0002153200000000, -0.0000182200000000, -0.0001558400000000 ] - [ -0.0002864600000000, -0.0002536500000000, 0.0001638400000000 ] - [ 0.0003340200000000, -0.0001293900000000, 0.0000696700000000 ] - [ 0.0015196200000000, -0.0036459800000000, 0.0029667400000000 ] - [ 0.0004672400000000, 0.0006909700000000, -0.0000714300000000 ] - [ 0.0000122900000000, 0.0000311900000000, 0.0001650800000000 ] - [ 0.0001423000000000, -0.0002610600000000, -0.0003937900000000 ] - [ 0.0029366400000000, -0.0021283300000000, 0.0006158600000000 ] - [ -0.0004240400000000, 0.0004448200000000, -0.0002642900000000 ] - [ 0.0005876600000000, 0.0001338600000000, 0.0003862000000000 ] - [ 0.0003791100000000, -0.0003433800000000, -0.0001937000000000 ] - [ 0.0009781300000000, 0.0004525900000000, 0.0031792500000000 ] - [ 0.0004301000000000, -0.0002881800000000, 0.0003748400000000 ] - [ -0.0014091600000000, -0.0004890400000000, -0.0010330800000000 ] - [ -0.0003934400000000, 0.0003746200000000, 0.0000894000000000 ] - [ 0.0003601100000000, -0.0004397300000000, -0.0000968300000000 ] - [ -0.0001804000000000, 0.0000324100000000, 0.0006263500000000 ] - [ -0.0000925200000000, -0.0000668600000000, -0.0004634100000000 ] - [ 0.0002379200000000, 0.0001750500000000, 0.0000307400000000 ] - [ 0.0001074600000000, 0.0000152300000000, 0.0003996000000000 ] - [ -0.0017665200000000, -0.0019616000000000, -0.0004226200000000 ] - [ 0.0000234000000000, 0.0001266500000000, 0.0000258400000000 ] - [ 0.0001900500000000, -0.0000628000000000, -0.0001196100000000 ] - [ -0.0004721900000000, 0.0003709300000000, 0.0020466500000000 ] - [ -0.0001355900000000, -0.0000160800000000, 0.0004590700000000 ] - [ 0.0002617500000000, -0.0002997400000000, 0.0001281800000000 ] - [ 0.0001055000000000, 0.0001433600000000, 0.0002306500000000 ] - [ -0.0015937300000000, 0.0031118900000000, -0.0007475000000000 ] - [ 0.0001126200000000, 0.0001542000000000, -0.0002694400000000 ] - [ -0.0003532300000000, 0.0000291200000000, 0.0006539200000000 ] - [ 0.0000850600000000, 0.0001301500000000, -0.0004479600000000 ] - [ -0.0000996700000000, 0.0003564800000000, 0.0004652000000000 ] - [ -0.0001142100000000, 0.0000022500000000, -0.0002707000000000 ] - [ -0.0004259400000000, 0.0005258900000000, 0.0012103000000000 ] - [ 0.0043640300000000, 0.0049224500000000, -0.0019481200000000 ] - [ 0.0001205000000000, 0.0004714800000000, 0.0004298900000000 ] - [ 0.0002664000000000, -0.0002005500000000, -0.0000001200000000 ] - [ 0.0025252800000000, -0.0012172100000000, 0.0010732000000000 ] - [ -0.0003932500000000, 0.0013168300000000, -0.0001394700000000 ] - [ -0.0013758200000000, 0.0003670600000000, -0.0030983000000000 ] - [ -0.0000314300000000, 0.0005289900000000, 0.0001551600000000 ] - [ 0.0003240100000000, 0.0003538800000000, 0.0002334400000000 ] - [ 0.0002752100000000, -0.0001576100000000, 0.0001711200000000 ] - [ 0.0006182300000000, -0.0003553600000000, -0.0007119300000000 ] - [ -0.0000885200000000, -0.0001579600000000, 0.0004045100000000 ] - [ 0.0001369500000000, 0.0008264500000000, 0.0004997400000000 ] - [ -0.0001466400000000, -0.0001292500000000, 0.0002750700000000 ] - [ 0.1050308800000000, -0.0108660800000000, -0.0336482000000000 ] - [ 0.0001763800000000, 0.0001195100000000, -0.0003214600000000 ] - [ -0.0000562500000000, 0.0002329800000000, 0.0005067100000000 ] - [ -0.0000730500000000, -0.0001193100000000, -0.0003457600000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027089400000000, -0.0024731500000000, 0.0012035600000000 ] - [ -0.0001625800000000, -0.0000835600000000, -0.0000038800000000 ] - [ -0.0000167900000000, -0.0000762100000000, 0.0002098300000000 ] - [ 0.0001863800000000, 0.0002702300000000, -0.0001913300000000 ] - [ 0.0008869500000000, -0.0000356800000000, -0.0004736100000000 ] - [ 0.0002139400000000, 0.0001799100000000, 0.0001710500000000 ] - [ -0.0003532400000000, 0.0006490800000000, 0.0005391100000000 ] - [ -0.0002481200000000, -0.0005671700000000, 0.0001811800000000 ] - [ 0.0008046500000000, 0.0023752400000000, 0.0016804400000000 ] - [ -0.0036678300000000, 0.0019856800000000, -0.0001998200000000 ] - [ 0.0003453400000000, 0.0001619200000000, 0.0003348300000000 ] - [ 0.0003336500000000, 0.0000882200000000, -0.0000133800000000 ] - [ -0.0004039000000000, -0.0011483500000000, 0.0036988400000000 ] - [ -0.0001832200000000, -0.0000817800000000, -0.0002598800000000 ] - [ 0.0011554400000000, -0.0006657500000000, 0.0000510300000000 ] - [ 0.0000693300000000, 0.0001989500000000, 0.0000072900000000 ] - [ -0.0001260100000000, -0.0000115700000000, 0.0004742900000000 ] - [ 0.0001216000000000, 0.0002362600000000, 0.0000692400000000 ] - [ -0.0046874500000000, 0.0024642300000000, -0.0022837100000000 ] - [ -0.0000767800000000, 0.0000132900000000, 0.0000410000000000 ] - [ 0.1359222400000000, -0.0116326500000000, -0.0437160500000000 ] - [ -0.0003942100000000, -0.0000681700000000, 0.0000338800000000 ] - [ 0.0004102500000000, -0.0002811400000000, 0.0003269600000000 ] - [ 0.0003925600000000, 0.0003212600000000, -0.0001136100000000 ] - [ 0.0008928400000000, 0.0004257500000000, 0.0003054300000000 ] - [ 0.0004117100000000, 0.0002700500000000, 0.0001841300000000 ] - [ -0.0011706100000000, -0.0002984900000000, 0.0008390300000000 ] - [ -0.0001175500000000, -0.0009571400000000, -0.0001535400000000 ] - [ -0.0000089100000000, 0.0000557600000000, 0.0001267700000000 ] - [ -0.0014696800000000, 0.0006744900000000, -0.0003738600000000 ] - [ -0.0001396700000000, -0.0001020800000000, -0.0001943500000000 ] - [ 0.0005419700000000, -0.0005537400000000, 0.0008402100000000 ] - [ -0.0001785600000000, -0.0001777500000000, -0.0000041800000000 ] - [ -0.0005589700000000, 0.0002375900000000, -0.0007971900000000 ] - [ 0.0002099600000000, 0.0000877300000000, 0.0002375200000000 ] - [ 0.0003400900000000, -0.0005993700000000, 0.0006248000000000 ] - [ -0.0138234500000000, 0.0026187400000000, 0.0076691400000000 ] - [ 0.0002719200000000, 0.0000626300000000, 0.0002798800000000 ] - [ 0.0000183000000000, -0.0000486800000000, -0.0000156200000000 ] - [ -0.0001706900000000, 0.0000725600000000, 0.0000852200000000 ] - [ -0.0006554000000000, -0.0012712600000000, -0.0009020100000000 ] - [ -0.0001602100000000, 0.0000114900000000, -0.0000569100000000 ] - [ 0.0006595800000000, 0.0002444400000000, 0.0000516800000000 ] - [ 0.0000507700000000, 0.0001353700000000, -0.0002856200000000 ] - [ -0.0015137400000000, 0.0035970700000000, -0.0023082100000000 ] - [ -0.0004373200000000, -0.0006833200000000, -0.0005656000000000 ] - [ -0.0000420900000000, -0.0000297900000000, 0.0004860300000000 ] - [ -0.0001732400000000, 0.0002669100000000, -0.0002551300000000 ] - [ -0.0037347900000000, 0.0015428900000000, -0.0001712100000000 ] - [ -0.0003819000000000, 0.0001310200000000, -0.0001848000000000 ] - [ 0.0002162900000000, 0.0004418600000000, 0.0000499100000000 ] - [ 0.0004255200000000, -0.0002327800000000, -0.0002519700000000 ] - [ -0.0001850900000000, 0.0001291500000000, -0.0036636400000000 ] - [ 0.0003746300000000, -0.0002880800000000, 0.0000705900000000 ] - [ 0.0005982000000000, -0.0000954700000000, 0.0005884500000000 ] - [ -0.0004105000000000, 0.0001987800000000, 0.0003573600000000 ] - [ -0.0004671500000000, 0.0004452700000000, -0.0006760000000000 ] - [ 0.0000682100000000, -0.0000276800000000, 0.0001437300000000 ] - [ 0.0002100100000000, 0.0000689000000000, -0.0003144800000000 ] - [ -0.0001280600000000, -0.0001758300000000, 0.0007496100000000 ] - [ -0.0003389300000000, -0.0000129200000000, -0.0000841700000000 ] - [ 0.0015226100000000, 0.0019874000000000, 0.0000944500000000 ] - [ 0.0002143900000000, -0.0001276900000000, 0.0003013000000000 ] - [ 0.0000420000000000, 0.0000625500000000, -0.0002048600000000 ] - [ 0.0003927000000000, -0.0002877300000000, -0.0025346400000000 ] - [ -0.0000571600000000, -0.0000605300000000, 0.0001482600000000 ] - [ -0.0000641500000000, 0.0002250600000000, -0.0007437900000000 ] - [ 0.0000873000000000, -0.0000709900000000, 0.0003787900000000 ] - [ 0.0017833300000000, -0.0032482800000000, 0.0013677600000000 ] - [ 0.0000815500000000, -0.0000791500000000, -0.0003394600000000 ] - [ 0.0001593500000000, 0.0000475600000000, -0.0000508300000000 ] - [ -0.0002743800000000, -0.0002040200000000, -0.0001562700000000 ] - [ -0.0001051800000000, -0.0003635600000000, 0.0003046400000000 ] - [ -0.0000899500000000, -0.0000044500000000, -0.0004990700000000 ] - [ 0.0006274100000000, -0.0005174800000000, -0.0004319100000000 ] - [ -0.0041040600000000, -0.0049781100000000, 0.0011912100000000 ] - [ 0.0004305800000000, 0.0000601700000000, -0.0002178700000000 ] - [ 0.0002834300000000, -0.0003407600000000, -0.0002193100000000 ] - [ -0.0031043300000000, 0.0006463200000000, -0.0009387600000000 ] - [ -0.0001552900000000, -0.0007696300000000, -0.0000760200000000 ] - [ 0.0012456600000000, -0.0009901000000000, 0.0027703200000000 ] - [ -0.0005179500000000, 0.0000052700000000, 0.0000571600000000 ] - [ 0.0002255800000000, 0.0001826500000000, -0.0004574300000000 ] - [ 0.0002728100000000, -0.0003843300000000, 0.0000471700000000 ] - [ -0.0008478400000000, 0.0006150900000000, -0.0000168200000000 ] - [ -0.0001407800000000, -0.0001028100000000, 0.0003318800000000 ] - [ 0.0000965500000000, -0.0010902300000000, -0.0012388800000000 ] - [ 0.0003680600000000, 0.0003915300000000, 0.0004602500000000 ] - [ -0.1103508700000000, 0.0113871000000000, 0.0370512700000000 ] - [ 0.0000537100000000, 0.0001409700000000, -0.0004137500000000 ] - [ -0.0001732600000000, 0.0000270500000000, 0.0002276500000000 ] - [ -0.0001564900000000, -0.0001420700000000, -0.0003906900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037664200000000, -0.0035717900000000, -0.0017442900000000 ] - [ -0.0001919700000000, -0.0001416400000000, 0.0001573700000000 ] - [ 0.0002533100000000, -0.0001748400000000, -0.0002871000000000 ] - [ 0.0002292600000000, 0.0012646600000000, 0.0001531300000000 ] - [ -0.0006414800000000, 0.0009223000000000, 0.0017362700000000 ] - [ 0.0002205000000000, 0.0009533100000000, -0.0001059100000000 ] - [ 0.0001104600000000, -0.0009665400000000, -0.0005686900000000 ] - [ 0.0006176900000000, 0.0014866200000000, -0.0022448200000000 ] - [ -0.0021036700000000, 0.0018806000000000, 0.0038838400000000 ] - [ 0.0013445400000000, -0.0000493700000000, 0.0014555200000000 ] - [ 0.0003468900000000, 0.0006861900000000, 0.0003835400000000 ] - [ 0.0003819800000000, 0.0005566000000000, 0.0000210700000000 ] - [ 0.0011540300000000, -0.0022216200000000, -0.0029594100000000 ] - [ 0.0001304100000000, 0.0009351700000000, 0.0004881100000000 ] - [ 0.0003222400000000, -0.0008809700000000, 0.0007472700000000 ] - [ 0.0001971000000000, 0.0007552600000000, -0.0003363400000000 ] - [ 0.0001515800000000, -0.0006062300000000, 0.0000070000000000 ] - [ 0.0001955200000000, 0.0009400200000000, 0.0000488800000000 ] - [ -0.0061368300000000, -0.0024377100000000, 0.0013663400000000 ] - [ -0.0001616500000000, 0.0005324300000000, 0.0004221600000000 ] - [ 0.0110477000000000, -0.0587520900000000, 0.0032547700000000 ] - [ -0.0002243900000000, 0.0002334000000000, 0.0003707900000000 ] - [ 0.0004365800000000, -0.0002979900000000, 0.0000825500000000 ] - [ 0.0004728400000000, 0.0009138500000000, -0.0002468500000000 ] - [ -0.0002648900000000, -0.0002786100000000, 0.0005526900000000 ] - [ 0.0004256500000000, 0.0006472600000000, 0.0001582100000000 ] - [ 0.0001466500000000, -0.0009500000000000, 0.0004051000000000 ] - [ -0.0011157200000000, 0.0037851600000000, 0.0004373500000000 ] - [ 0.0001703300000000, 0.0000813700000000, -0.0003240800000000 ] - [ 0.0009538000000000, -0.0020754000000000, 0.0010683700000000 ] - [ -0.0002138800000000, 0.0012636400000000, -0.0000002300000000 ] - [ -0.0031805200000000, 0.0031245100000000, -0.0037320100000000 ] - [ -0.0000005600000000, 0.0012895000000000, 0.0000920600000000 ] - [ 0.0024980400000000, 0.0019703300000000, -0.0006451000000000 ] - [ 0.0001774500000000, 0.0000336300000000, -0.0006187900000000 ] - [ 0.0002858800000000, -0.0010211800000000, -0.0000703600000000 ] - [ -0.0012967300000000, -0.0097351100000000, 0.0004463700000000 ] - [ 0.0003316500000000, 0.0003893800000000, 0.0004543800000000 ] - [ -0.0002973600000000, -0.0003359100000000, -0.0004362800000000 ] - [ -0.0001077000000000, 0.0007999400000000, -0.0000112700000000 ] - [ 0.0004645900000000, 0.0014316300000000, 0.0029162300000000 ] - [ -0.0001832600000000, 0.0004498200000000, -0.0000343000000000 ] - [ -0.0000031400000000, -0.0008593800000000, 0.0007459200000000 ] - [ 0.0006592400000000, 0.0007026300000000, -0.0006569300000000 ] - [ -0.0051890100000000, 0.0019316000000000, -0.0021211000000000 ] - [ -0.0001211700000000, 0.0001420700000000, 0.0008116300000000 ] - [ 0.0002067200000000, 0.0003607900000000, 0.0000182400000000 ] - [ 0.0002011700000000, 0.0007641000000000, 0.0001017400000000 ] - [ 0.0016398900000000, 0.0140262500000000, -0.0010297700000000 ] - [ -0.0004106100000000, -0.0009508600000000, -0.0004616800000000 ] - [ 0.0004674200000000, 0.0009675000000000, -0.0002399300000000 ] - [ 0.0003236500000000, -0.0010745300000000, 0.0005596900000000 ] - [ 0.0003246100000000, 0.0014571100000000, -0.0005666100000000 ] - [ 0.0004316200000000, -0.0007795500000000, 0.0002793000000000 ] - [ -0.0001190800000000, 0.0009290100000000, 0.0010731900000000 ] - [ -0.0002492700000000, -0.0014568100000000, -0.0001210700000000 ] - [ 0.0002600600000000, 0.0009095900000000, 0.0007134300000000 ] - [ -0.0002008400000000, 0.0006594900000000, 0.0005112500000000 ] - [ -0.0002784500000000, -0.0017279300000000, 0.0004036500000000 ] - [ 0.0003456500000000, -0.0019523800000000, 0.0001097900000000 ] - [ 0.0001843800000000, 0.0003852800000000, -0.0004326300000000 ] - [ 0.0004378800000000, 0.0013413000000000, 0.0014763100000000 ] - [ -0.0002058900000000, -0.0019265300000000, -0.0004858700000000 ] - [ 0.0002397400000000, -0.0007731400000000, 0.0003824900000000 ] - [ 0.0000917100000000, 0.0053688200000000, 0.0008796100000000 ] - [ -0.0001695300000000, -0.0004468200000000, 0.0000293900000000 ] - [ -0.0001375500000000, 0.0006011600000000, 0.0010953400000000 ] - [ -0.0001191400000000, -0.0014570300000000, 0.0002905200000000 ] - [ -0.0008407200000000, -0.0000264100000000, -0.0004342200000000 ] - [ -0.0000311200000000, -0.0008316800000000, -0.0003277900000000 ] - [ -0.0003673600000000, 0.0008161000000000, -0.0000844300000000 ] - [ 0.0001857900000000, -0.0012234800000000, 0.0008343500000000 ] - [ -0.0001061700000000, -0.0011133200000000, 0.0000603300000000 ] - [ -0.0001860700000000, -0.0004548100000000, -0.0003792500000000 ] - [ 0.0002172500000000, 0.0004222500000000, -0.0008444700000000 ] - [ 0.0035054500000000, 0.0113289700000000, -0.0007568400000000 ] - [ 0.0001355600000000, -0.0001655700000000, -0.0005936400000000 ] - [ 0.0002955500000000, -0.0009720700000000, -0.0000590900000000 ] - [ -0.0007087400000000, 0.0034256100000000, -0.0010523000000000 ] - [ 0.0003983100000000, -0.0010256600000000, -0.0007600200000000 ] - [ 0.0010409800000000, 0.0047035100000000, 0.0001188900000000 ] - [ -0.0007172100000000, -0.0009370700000000, -0.0014140200000000 ] - [ 0.0003121300000000, 0.0001302300000000, -0.0003897200000000 ] - [ 0.0003232100000000, -0.0011188500000000, 0.0001108300000000 ] - [ 0.0010363500000000, 0.0008159200000000, -0.0014733600000000 ] - [ -0.0002615200000000, -0.0002858400000000, 0.0006759600000000 ] - [ -0.0002701200000000, 0.0004366200000000, 0.0004190000000000 ] - [ -0.0012832700000000, -0.0000761900000000, -0.0001491200000000 ] - [ -0.0113259200000000, 0.0259994400000000, -0.0028869200000000 ] - [ -0.0000898000000000, 0.0002294000000000, -0.0005177700000000 ] - [ -0.0001548700000000, 0.0002346600000000, 0.0005526700000000 ] - [ -0.0004302100000000, -0.0002830800000000, -0.0007585700000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041545700000000, 0.0039587700000000, 0.0020763600000000 ] - [ -0.0001853600000000, -0.0001864600000000, -0.0004498800000000 ] - [ 0.0001278100000000, -0.0001664400000000, 0.0005697400000000 ] - [ 0.0001478000000000, -0.0009340200000000, -0.0004409500000000 ] - [ 0.0010085000000000, -0.0012612900000000, -0.0019914700000000 ] - [ 0.0001567400000000, -0.0006202500000000, 0.0003932100000000 ] - [ -0.0004881200000000, 0.0013014200000000, 0.0002760600000000 ] - [ -0.0010081500000000, -0.0018310000000000, 0.0025685800000000 ] - [ 0.0014317600000000, -0.0018602300000000, -0.0035616100000000 ] - [ -0.0020474300000000, 0.0000629200000000, -0.0018190400000000 ] - [ 0.0003411300000000, -0.0006920700000000, -0.0000399500000000 ] - [ 0.0003051600000000, -0.0005608300000000, -0.0003636300000000 ] - [ -0.0013110300000000, 0.0025516700000000, 0.0030914800000000 ] - [ -0.0002912300000000, -0.0012928200000000, -0.0006167900000000 ] - [ -0.0001549400000000, 0.0005014300000000, -0.0006305000000000 ] - [ -0.0000392300000000, -0.0003963500000000, 0.0002115200000000 ] - [ 0.0000058600000000, 0.0002459400000000, -0.0001316900000000 ] - [ -0.0000340800000000, -0.0005774700000000, 0.0000865100000000 ] - [ 0.0059066000000000, 0.0027500500000000, -0.0014894000000000 ] - [ 0.0000041400000000, -0.0008872100000000, -0.0003006300000000 ] - [ -0.0120566600000000, 0.0594346900000000, -0.0026445800000000 ] - [ -0.0005588000000000, -0.0007039500000000, -0.0005989600000000 ] - [ 0.0003462900000000, -0.0001795400000000, 0.0001387900000000 ] - [ 0.0003039000000000, -0.0004429300000000, 0.0000261500000000 ] - [ 0.0010504900000000, -0.0002070500000000, -0.0007802900000000 ] - [ 0.0003589400000000, -0.0001731600000000, 0.0000654600000000 ] - [ -0.0009272700000000, 0.0014213800000000, -0.0006272000000000 ] - [ 0.0003458000000000, -0.0043072300000000, -0.0002168700000000 ] - [ 0.0001681700000000, 0.0002887400000000, 0.0001320100000000 ] - [ -0.0006243800000000, 0.0017437400000000, -0.0009043200000000 ] - [ -0.0001238000000000, -0.0016257200000000, -0.0001925500000000 ] - [ 0.0027996200000000, -0.0027372600000000, 0.0038826800000000 ] - [ -0.0003378100000000, -0.0016503400000000, 0.0000964600000000 ] - [ -0.0027896700000000, -0.0016003100000000, 0.0004574300000000 ] - [ 0.0001605300000000, 0.0003427400000000, 0.0008158300000000 ] - [ 0.0000484600000000, 0.0006679600000000, -0.0001301200000000 ] - [ 0.0016895000000000, 0.0096994500000000, -0.0006705600000000 ] - [ 0.0000456200000000, -0.0003787400000000, -0.0002439100000000 ] - [ -0.0000798000000000, 0.0003395600000000, 0.0002208500000000 ] - [ -0.0002639600000000, -0.0008089500000000, 0.0002239000000000 ] - [ -0.0008271400000000, -0.0014279000000000, -0.0026633600000000 ] - [ -0.0001945000000000, -0.0004548300000000, -0.0001817500000000 ] - [ 0.0003792800000000, 0.0008485700000000, -0.0005349500000000 ] - [ -0.0002870200000000, -0.0006915000000000, 0.0004476900000000 ] - [ 0.0052708100000000, -0.0019059100000000, 0.0027850000000000 ] - [ 0.0001548600000000, -0.0001249100000000, -0.0014535000000000 ] - [ -0.0002330800000000, -0.0003636700000000, 0.0006246400000000 ] - [ -0.0002264300000000, -0.0007684700000000, -0.0007438900000000 ] - [ -0.0024023900000000, -0.0137725400000000, 0.0012313900000000 ] - [ -0.0003935500000000, 0.0015266400000000, 0.0000182600000000 ] - [ 0.0003352800000000, -0.0003855000000000, 0.0007014800000000 ] - [ 0.0004836800000000, 0.0004944000000000, -0.0010161400000000 ] - [ 0.0004904400000000, -0.0008709400000000, 0.0001517600000000 ] - [ 0.0003721600000000, 0.0001974600000000, 0.0001663000000000 ] - [ -0.0006856800000000, -0.0014837800000000, -0.0015182300000000 ] - [ -0.0005565400000000, 0.0020382200000000, 0.0005717900000000 ] - [ -0.0003773900000000, -0.0009324100000000, -0.0014931100000000 ] - [ 0.0000902400000000, -0.0006692200000000, 0.0002683900000000 ] - [ 0.0003872000000000, 0.0017158400000000, -0.0011676600000000 ] - [ -0.0002282400000000, 0.0019474200000000, 0.0006591700000000 ] - [ -0.0004145700000000, -0.0003894000000000, 0.0007542200000000 ] - [ -0.0006637900000000, -0.0013739400000000, -0.0018022000000000 ] - [ 0.0004331800000000, 0.0019191000000000, 0.0007928200000000 ] - [ -0.0000080800000000, 0.0007728700000000, -0.0006962300000000 ] - [ -0.0003345300000000, -0.0053100000000000, -0.0015106100000000 ] - [ -0.0000234100000000, 0.0003643400000000, 0.0005816400000000 ] - [ 0.0003299400000000, -0.0006675600000000, -0.0016888600000000 ] - [ 0.0003133100000000, 0.0015376400000000, 0.0003148700000000 ] - [ 0.0010251600000000, -0.0000005800000000, 0.0010248700000000 ] - [ 0.0002235900000000, 0.0009068000000000, -0.0002766700000000 ] - [ 0.0001737700000000, -0.0007372300000000, 0.0006957100000000 ] - [ -0.0003866800000000, 0.0011466300000000, -0.0014539200000000 ] - [ -0.0000977100000000, 0.0011204200000000, 0.0007056500000000 ] - [ -0.0000177700000000, 0.0004583300000000, -0.0003860700000000 ] - [ -0.0000161000000000, -0.0004293900000000, 0.0016171700000000 ] - [ -0.0035545500000000, -0.0121663900000000, 0.0000973400000000 ] - [ 0.0004137600000000, 0.0007148100000000, 0.0008116300000000 ] - [ 0.0002535400000000, 0.0004363300000000, -0.0001591200000000 ] - [ 0.0001390300000000, -0.0039950100000000, 0.0012253000000000 ] - [ -0.0009502500000000, 0.0015559100000000, 0.0005462400000000 ] - [ -0.0014669200000000, -0.0052813500000000, -0.0004076600000000 ] - [ 0.0001694300000000, 0.0014713500000000, 0.0016507800000000 ] - [ 0.0002366900000000, 0.0004160300000000, 0.0001743700000000 ] - [ 0.0002245200000000, 0.0005838900000000, 0.0001043300000000 ] - [ -0.0012587500000000, -0.0005484000000000, 0.0007123800000000 ] - [ 0.0000319000000000, 0.0000239200000000, 0.0000621100000000 ] - [ 0.0004976900000000, -0.0007010800000000, -0.0011505700000000 ] - [ 0.0015299200000000, 0.0003438000000000, 0.0008842700000000 ] - [ 0.0119244000000000, -0.0263966700000000, 0.0034349500000000 ] - [ 0.0003192200000000, 0.0000276700000000, -0.0002102900000000 ] - [ -0.0000764500000000, 0.0000306800000000, 0.0001892200000000 ] - [ 0.0002019600000000, 0.0000206700000000, 0.0000209100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0066243300000000, -0.0013446900000000, 0.0016882500000000 ] - [ -0.0002331200000000, -0.0000119500000000, 0.0003967600000000 ] - [ -0.0000774200000000, -0.0002210700000000, 0.0006143300000000 ] - [ 0.0001753200000000, 0.0002906000000000, -0.0003346600000000 ] - [ 0.0006787800000000, 0.0002059600000000, -0.0020016100000000 ] - [ 0.0001830700000000, 0.0001518500000000, 0.0002731900000000 ] - [ -0.0004748400000000, 0.0009810300000000, 0.0016635200000000 ] - [ 0.0000503700000000, -0.0004980100000000, -0.0006366900000000 ] - [ -0.0018795200000000, 0.0041624500000000, 0.0006084100000000 ] - [ -0.0002603200000000, 0.0025048800000000, -0.0015693400000000 ] - [ 0.0002843400000000, 0.0004702200000000, 0.0005404100000000 ] - [ 0.0003772100000000, 0.0003141100000000, 0.0001934000000000 ] - [ -0.0025963700000000, -0.0017186200000000, 0.0047150300000000 ] - [ -0.0001852500000000, -0.0000588300000000, -0.0004877700000000 ] - [ -0.0012989800000000, 0.0020886700000000, 0.0013379500000000 ] - [ 0.0000922500000000, 0.0002109000000000, 0.0002100100000000 ] - [ -0.0000270800000000, 0.0001086400000000, 0.0011501900000000 ] - [ 0.0000831600000000, 0.0001563800000000, 0.0001341800000000 ] - [ 0.0062189300000000, -0.0004642100000000, -0.0066418000000000 ] - [ -0.0001312300000000, 0.0001098900000000, 0.0000015900000000 ] - [ 0.0423672500000000, 0.0031317300000000, -0.0696707200000000 ] - [ -0.0002430000000000, 0.0002474900000000, -0.0000461800000000 ] - [ 0.0006039300000000, -0.0002069100000000, 0.0008505700000000 ] - [ 0.0003900200000000, 0.0003728800000000, -0.0001189900000000 ] - [ -0.0000214700000000, 0.0004299600000000, 0.0001257100000000 ] - [ 0.0004624800000000, 0.0002827400000000, 0.0003002300000000 ] - [ 0.0005635100000000, -0.0002779700000000, 0.0006840000000000 ] - [ -0.0001265300000000, -0.0005539700000000, -0.0002871300000000 ] - [ 0.0001915200000000, -0.0001967600000000, 0.0006743900000000 ] - [ 0.0019851600000000, -0.0039659200000000, 0.0049180600000000 ] - [ -0.0001293100000000, -0.0001817600000000, -0.0003953400000000 ] - [ 0.0003639700000000, -0.0006973200000000, 0.0005181000000000 ] - [ -0.0001525400000000, -0.0002355900000000, -0.0000467400000000 ] - [ -0.0012718400000000, -0.0003809000000000, -0.0010352800000000 ] - [ 0.0001356700000000, -0.0006449300000000, 0.0005423700000000 ] - [ 0.0002961600000000, -0.0005455900000000, 0.0016145800000000 ] - [ -0.0044879600000000, 0.0009617500000000, -0.0080238600000000 ] - [ 0.0002354200000000, 0.0002947000000000, 0.0004574100000000 ] - [ 0.0002190000000000, -0.0002809500000000, 0.0003966800000000 ] - [ -0.0001704600000000, 0.0000065900000000, -0.0000094700000000 ] - [ -0.0003453500000000, 0.0029663200000000, -0.0007157800000000 ] - [ -0.0001152500000000, 0.0000975500000000, 0.0000046600000000 ] - [ 0.0002006300000000, -0.0007293200000000, 0.0020071900000000 ] - [ 0.0003446000000000, -0.0001909800000000, -0.0004366300000000 ] - [ 0.0006844300000000, -0.0020258200000000, -0.0021403700000000 ] - [ 0.0001888200000000, 0.0025796900000000, 0.0024469200000000 ] - [ -0.0000502600000000, -0.0000285000000000, 0.0007794900000000 ] - [ -0.0001323000000000, 0.0004776200000000, -0.0005189900000000 ] - [ -0.0006019400000000, -0.0016273800000000, 0.0048640400000000 ] - [ -0.0003686600000000, 0.0000421400000000, -0.0001071600000000 ] - [ 0.0004861100000000, 0.0001255600000000, -0.0028228800000000 ] - [ 0.0003364400000000, -0.0000304000000000, -0.0003211400000000 ] - [ -0.0002349100000000, -0.0002170700000000, -0.0026376100000000 ] - [ 0.0004052200000000, -0.0002340400000000, -0.0003001100000000 ] - [ 0.0000750600000000, 0.0008124200000000, -0.0000386600000000 ] - [ -0.0004296000000000, 0.0001466900000000, 0.0005582900000000 ] - [ 0.0004858300000000, 0.0018861600000000, -0.0015807700000000 ] - [ -0.0003008400000000, 0.0005238300000000, -0.0011562900000000 ] - [ 0.0002033000000000, 0.0004488100000000, -0.0004352600000000 ] - [ -0.0000375600000000, 0.0000969200000000, 0.0009785300000000 ] - [ 0.0003640600000000, -0.0002066500000000, -0.0014402900000000 ] - [ -0.0004860700000000, 0.0021588700000000, -0.0000279900000000 ] - [ 0.0002178500000000, -0.0002028100000000, 0.0009073500000000 ] - [ 0.0000821300000000, 0.0002204600000000, -0.0003672300000000 ] - [ 0.0059954500000000, 0.0030427700000000, 0.0127170700000000 ] - [ -0.0001847500000000, -0.0003256400000000, -0.0003090200000000 ] - [ -0.0001206000000000, 0.0010315000000000, -0.0013162100000000 ] - [ 0.0000763100000000, -0.0000471000000000, 0.0005384100000000 ] - [ -0.0003543600000000, -0.0021028700000000, 0.0023217600000000 ] - [ 0.0000716700000000, -0.0001796200000000, -0.0004065500000000 ] - [ -0.0002899400000000, 0.0004225200000000, -0.0016762400000000 ] - [ 0.0000320000000000, 0.0002957700000000, -0.0001244700000000 ] - [ 0.0000067700000000, -0.0007244900000000, 0.0003630200000000 ] - [ -0.0000998100000000, 0.0000066400000000, -0.0007728100000000 ] - [ -0.0001082800000000, -0.0009150300000000, -0.0002456800000000 ] - [ -0.0000753800000000, -0.0013975700000000, 0.0042441400000000 ] - [ 0.0000499800000000, -0.0007310100000000, -0.0007350900000000 ] - [ 0.0002913400000000, -0.0004366700000000, -0.0003922500000000 ] - [ -0.0019967700000000, -0.0034463700000000, -0.0009118500000000 ] - [ -0.0002706600000000, -0.0004144000000000, 0.0011398300000000 ] - [ 0.0005703200000000, -0.0001031700000000, 0.0058485700000000 ] - [ -0.0005311300000000, -0.0010536800000000, 0.0004084100000000 ] - [ 0.0003331400000000, -0.0000417700000000, -0.0010730200000000 ] - [ 0.0002532300000000, -0.0004965400000000, -0.0000161400000000 ] - [ 0.0010162900000000, -0.0003433800000000, 0.0007183900000000 ] - [ -0.0001921800000000, -0.0000662400000000, 0.0002498600000000 ] - [ 0.0002288500000000, -0.0018013500000000, -0.0018388400000000 ] - [ 0.0000849100000000, 0.0002210600000000, 0.0007204300000000 ] - [ -0.0407935300000000, -0.0023663800000000, 0.0506314500000000 ] - [ -0.0000429100000000, 0.0001829900000000, -0.0004408300000000 ] - [ -0.0003361700000000, -0.0001896800000000, -0.0001094100000000 ] - [ -0.0001514800000000, -0.0001079000000000, -0.0003359800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0061218500000000, 0.0016364800000000, -0.0013303400000000 ] - [ -0.0001456100000000, -0.0003260700000000, -0.0006831800000000 ] - [ 0.0004563500000000, -0.0001084100000000, -0.0003214900000000 ] - [ 0.0002008800000000, 0.0000394800000000, 0.0000414400000000 ] - [ -0.0003020700000000, -0.0005422200000000, 0.0017091700000000 ] - [ 0.0001948300000000, 0.0001792100000000, 0.0000185900000000 ] - [ 0.0000966000000000, -0.0006484800000000, -0.0019501700000000 ] - [ -0.0004251000000000, 0.0001709000000000, 0.0009107700000000 ] - [ 0.0012038000000000, -0.0041865300000000, -0.0002540700000000 ] - [ -0.0004224600000000, -0.0025269300000000, 0.0012466700000000 ] - [ 0.0004021400000000, -0.0004687000000000, -0.0002019400000000 ] - [ 0.0003091800000000, -0.0003118800000000, -0.0005336100000000 ] - [ 0.0024587500000000, 0.0020975900000000, -0.0046096700000000 ] - [ 0.0000283200000000, -0.0002976500000000, 0.0003663900000000 ] - [ 0.0014429100000000, -0.0024302900000000, -0.0012178400000000 ] - [ 0.0000659900000000, 0.0001452900000000, -0.0003359800000000 ] - [ 0.0001840800000000, -0.0004580900000000, -0.0012663000000000 ] - [ 0.0000783400000000, 0.0002060000000000, -0.0000048900000000 ] - [ -0.0063808300000000, 0.0008677300000000, 0.0065071700000000 ] - [ -0.0000286700000000, -0.0004719500000000, 0.0001306700000000 ] - [ -0.0424194800000000, -0.0027587500000000, 0.0693373900000000 ] - [ -0.0005342900000000, -0.0007220400000000, -0.0001749400000000 ] - [ 0.0001768600000000, -0.0002621700000000, -0.0006261600000000 ] - [ 0.0003862200000000, 0.0000989700000000, -0.0001048100000000 ] - [ 0.0008070900000000, -0.0009019300000000, -0.0003551000000000 ] - [ 0.0003182400000000, 0.0001894900000000, -0.0000771100000000 ] - [ -0.0013590500000000, 0.0007535300000000, -0.0009078400000000 ] - [ -0.0006603800000000, 0.0001004000000000, 0.0005187100000000 ] - [ 0.0001468300000000, 0.0005544200000000, -0.0008720600000000 ] - [ -0.0016303100000000, 0.0035590200000000, -0.0046920600000000 ] - [ -0.0002082700000000, -0.0001834300000000, 0.0002039400000000 ] - [ -0.0006856500000000, 0.0010524800000000, -0.0003080600000000 ] - [ -0.0001845800000000, -0.0001302900000000, 0.0002417500000000 ] - [ 0.0009258600000000, 0.0007405900000000, 0.0008441500000000 ] - [ 0.0002022400000000, 0.0010037500000000, -0.0003557800000000 ] - [ 0.0000402600000000, 0.0001827800000000, -0.0018104900000000 ] - [ 0.0047781900000000, -0.0009569300000000, 0.0077234100000000 ] - [ 0.0001419600000000, -0.0002888200000000, -0.0002449600000000 ] - [ -0.0005927300000000, 0.0002922700000000, -0.0006065700000000 ] - [ -0.0001984500000000, -0.0000134600000000, 0.0002183100000000 ] - [ -0.0000329000000000, -0.0029419200000000, 0.0009167500000000 ] - [ -0.0002600800000000, -0.0001065300000000, -0.0002172700000000 ] - [ 0.0001773500000000, 0.0007289700000000, -0.0018067200000000 ] - [ 0.0000345200000000, 0.0002012600000000, 0.0002226300000000 ] - [ -0.0006865700000000, 0.0020549400000000, 0.0027687200000000 ] - [ -0.0001639800000000, -0.0026084600000000, -0.0031134800000000 ] - [ 0.0000198300000000, 0.0000299100000000, -0.0001305300000000 ] - [ 0.0001027500000000, -0.0004756900000000, -0.0001305100000000 ] - [ -0.0002152200000000, 0.0010900200000000, -0.0044141800000000 ] - [ -0.0004384100000000, 0.0005369000000000, -0.0003437900000000 ] - [ 0.0003215300000000, 0.0004462100000000, 0.0032601500000000 ] - [ 0.0004688800000000, -0.0005461600000000, -0.0001211700000000 ] - [ 0.0010332000000000, 0.0007909200000000, 0.0021996600000000 ] - [ 0.0003994700000000, -0.0003401900000000, 0.0007495300000000 ] - [ -0.0008837100000000, -0.0013988100000000, -0.0004175100000000 ] - [ -0.0003747000000000, 0.0004294200000000, -0.0001132500000000 ] - [ -0.0005933700000000, -0.0018702700000000, 0.0008097100000000 ] - [ 0.0001866200000000, -0.0005172400000000, 0.0019335700000000 ] - [ -0.0000877200000000, -0.0004466400000000, -0.0003439500000000 ] - [ 0.0001508300000000, -0.0000940500000000, -0.0002027600000000 ] - [ -0.0006027500000000, 0.0002113300000000, 0.0017675500000000 ] - [ 0.0002558500000000, -0.0021555900000000, -0.0002772300000000 ] - [ 0.0000176000000000, 0.0002029400000000, -0.0005815300000000 ] - [ 0.0001510000000000, -0.0002210600000000, 0.0000405900000000 ] - [ -0.0058622500000000, -0.0028483100000000, -0.0126299600000000 ] - [ -0.0000079800000000, 0.0002558100000000, 0.0009186000000000 ] - [ 0.0003195600000000, -0.0011146300000000, 0.0007045900000000 ] - [ 0.0001176800000000, 0.0001201700000000, 0.0000700100000000 ] - [ 0.0005466300000000, 0.0020401700000000, -0.0017068800000000 ] - [ 0.0001234200000000, 0.0002569500000000, -0.0002028300000000 ] - [ 0.0000999700000000, -0.0003540800000000, 0.0022929700000000 ] - [ -0.0002247200000000, -0.0003741400000000, -0.0004775100000000 ] - [ -0.0002125800000000, 0.0007229600000000, 0.0004085300000000 ] - [ -0.0001052100000000, -0.0000087500000000, 0.0000041200000000 ] - [ 0.0003219200000000, 0.0009217500000000, 0.0010128000000000 ] - [ 0.0002907800000000, 0.0014057800000000, -0.0050344200000000 ] - [ 0.0004983000000000, 0.0012642200000000, 0.0009527600000000 ] - [ 0.0002577000000000, -0.0001038300000000, 0.0001745600000000 ] - [ 0.0013481900000000, 0.0028661500000000, 0.0008982100000000 ] - [ -0.0002753200000000, 0.0009552300000000, -0.0013691300000000 ] - [ -0.0009624300000000, -0.0004694900000000, -0.0061395700000000 ] - [ -0.0000173300000000, 0.0016009400000000, -0.0001999700000000 ] - [ 0.0002157300000000, 0.0005792900000000, 0.0008541800000000 ] - [ 0.0002949200000000, -0.0000445600000000, 0.0002361000000000 ] - [ -0.0012386000000000, 0.0005945600000000, -0.0014500500000000 ] - [ -0.0000355900000000, -0.0001948400000000, 0.0004872600000000 ] - [ -0.0000008100000000, 0.0015450800000000, 0.0011011600000000 ] - [ 0.0001368200000000, 0.0000401500000000, 0.0000143600000000 ] - [ 0.0400982900000000, 0.0020922800000000, -0.0496942700000000 ] - [ 0.0002719400000000, 0.0000787100000000, -0.0002977600000000 ] - [ 0.0001085700000000, 0.0004504600000000, 0.0008446300000000 ] - [ -0.0000774700000000, -0.0001535800000000, -0.0004005800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014020700000000, 0.0016805700000000, -0.0018155000000000 ] - [ 0.0036409900000000, 0.0006175100000000, -0.0003539300000000 ] - [ 0.0002046500000000, -0.0000857000000000, 0.0001749500000000 ] - [ -0.0000736700000000, -0.0000734700000000, -0.0005657900000000 ] - [ 0.0002004500000000, -0.0000709300000000, -0.0001109000000000 ] - [ 0.0003981100000000, 0.0004229900000000, -0.0001099900000000 ] - [ 0.0017625600000000, -0.0008104900000000, -0.0022315600000000 ] - [ -0.0018983000000000, -0.0014405000000000, -0.0002310900000000 ] - [ -0.0002896200000000, -0.0002116700000000, 0.0004233900000000 ] - [ -0.0004534000000000, -0.0002510400000000, -0.0000780800000000 ] - [ 0.0003175700000000, 0.0000409100000000, 0.0000702500000000 ] - [ 0.0003824000000000, 0.0001196100000000, -0.0002598900000000 ] - [ 0.0000956500000000, -0.0001196800000000, -0.0003545500000000 ] - [ -0.0002063000000000, -0.0003194500000000, -0.0002136900000000 ] - [ 0.0001036900000000, -0.0001031000000000, 0.0001060200000000 ] - [ 0.0045693800000000, 0.0008528400000000, -0.0007697100000000 ] - [ 0.0000004900000000, -0.0001601600000000, -0.0000563500000000 ] - [ -0.0015684400000000, -0.0015508200000000, -0.0020432700000000 ] - [ -0.0002133600000000, 0.0006451700000000, -0.0006157000000000 ] - [ 0.0001299400000000, -0.0000284300000000, -0.0000286100000000 ] - [ -0.0002151600000000, 0.0002370000000000, 0.0001344000000000 ] - [ 0.0012489800000000, -0.0010285400000000, -0.0019301400000000 ] - [ 0.0003632800000000, -0.0002820600000000, 0.0000727000000000 ] - [ -0.0003138100000000, 0.0032278000000000, 0.0004136400000000 ] - [ 0.0004053800000000, -0.0000688600000000, -0.0000977500000000 ] - [ 0.0007729000000000, -0.0024190200000000, 0.0012163300000000 ] - [ -0.0004338100000000, 0.0002447100000000, -0.0000808000000000 ] - [ -0.0005656700000000, -0.0003546800000000, 0.0002418400000000 ] - [ -0.0283312200000000, -0.0087757000000000, 0.0030375900000000 ] - [ 0.0036705000000000, -0.0017852600000000, 0.0037303500000000 ] - [ -0.0000950200000000, 0.0000062300000000, -0.0000544000000000 ] - [ -0.0001659600000000, 0.0003050700000000, 0.0000833300000000 ] - [ -0.0002495600000000, -0.0001137000000000, 0.0001129200000000 ] - [ -0.0002113000000000, 0.0003083500000000, -0.0001152700000000 ] - [ 0.0103017900000000, 0.0013643200000000, 0.0001710800000000 ] - [ -0.0037612000000000, 0.0001638900000000, 0.0006609700000000 ] - [ 0.0000768100000000, -0.0000231400000000, -0.0000487600000000 ] - [ -0.0010510000000000, -0.0012025800000000, 0.0029111500000000 ] - [ -0.0002059800000000, 0.0000745600000000, -0.0001328400000000 ] - [ -0.0003771800000000, -0.0000393500000000, 0.0002077500000000 ] - [ -0.0002296600000000, 0.0000908400000000, 0.0001076600000000 ] - [ 0.0000863700000000, 0.0022573700000000, 0.0001361900000000 ] - [ 0.0002408800000000, 0.0009360400000000, 0.0003152200000000 ] - [ 0.0008055000000000, -0.0005448600000000, 0.0014857000000000 ] - [ 0.0009937900000000, -0.0002277300000000, 0.0003469000000000 ] - [ -0.0036768000000000, -0.0011867900000000, 0.0007255100000000 ] - [ -0.0001701800000000, 0.0000427600000000, 0.0003779500000000 ] - [ 0.0000794000000000, 0.0001563500000000, -0.0003036600000000 ] - [ -0.0005295500000000, -0.0004299500000000, 0.0002882400000000 ] - [ -0.0004653700000000, 0.0000167200000000, 0.0000747200000000 ] - [ -0.0001612400000000, 0.0001906200000000, 0.0003974800000000 ] - [ 0.0070697900000000, -0.0007440500000000, 0.0011820100000000 ] - [ 0.0008678900000000, 0.0003794200000000, -0.0005471300000000 ] - [ -0.0015226400000000, 0.0033766100000000, -0.0006815000000000 ] - [ -0.0002994200000000, -0.0004179700000000, -0.0001409000000000 ] - [ -0.0004859300000000, 0.0001997800000000, 0.0001842700000000 ] - [ 0.0069373400000000, 0.0007807100000000, -0.0025731500000000 ] - [ -0.0025066700000000, 0.0039427500000000, -0.0009571700000000 ] - [ 0.0000160000000000, -0.0001408900000000, -0.0004072000000000 ] - [ 0.0000896400000000, -0.0001174100000000, 0.0003936600000000 ] - [ 0.0052192400000000, -0.0001708100000000, -0.0011412300000000 ] - [ -0.0011137700000000, 0.0009186500000000, -0.0019895700000000 ] - [ 0.0000568400000000, -0.0001223500000000, 0.0001355400000000 ] - [ 0.0001715200000000, -0.0002269600000000, -0.0001350100000000 ] - [ -0.0008124700000000, -0.0009424600000000, -0.0000488500000000 ] - [ 0.0044242600000000, 0.0011918700000000, -0.0014399900000000 ] - [ 0.0000648100000000, -0.0001350800000000, -0.0003575700000000 ] - [ 0.0000470200000000, -0.0003134600000000, -0.0001844000000000 ] - [ 0.0001617700000000, -0.0002381900000000, 0.0002417000000000 ] - [ 0.0005712500000000, 0.0001653600000000, -0.0006343200000000 ] - [ 0.0006114300000000, 0.0003420000000000, 0.0006935600000000 ] - [ -0.0014782200000000, 0.0007998400000000, 0.0015752700000000 ] - [ -0.0000482500000000, -0.0003105700000000, 0.0003387200000000 ] - [ -0.0001657300000000, 0.0000919500000000, -0.0004182000000000 ] - [ -0.0001937700000000, 0.0004399000000000, 0.0006376400000000 ] - [ 0.0001480700000000, 0.0003991400000000, 0.0000986500000000 ] - [ 0.0002540800000000, 0.0001841500000000, 0.0001122300000000 ] - [ 0.0008971600000000, -0.0003199800000000, 0.0000630300000000 ] - [ -0.0002665100000000, -0.0004452000000000, -0.0001990300000000 ] - [ -0.0003923900000000, 0.0006815900000000, -0.0001891800000000 ] - [ -0.0002028000000000, -0.0001761900000000, -0.0000827900000000 ] - [ 0.0000504400000000, 0.0007266900000000, 0.0000257500000000 ] - [ 0.0002883500000000, 0.0001848200000000, -0.0000911100000000 ] - [ -0.0003365000000000, -0.0002082800000000, 0.0005214700000000 ] - [ -0.0000660400000000, 0.0001270700000000, -0.0003320600000000 ] - [ -0.0014264200000000, -0.0002528400000000, -0.0000573100000000 ] - [ -0.0002473200000000, 0.0001824000000000, -0.0001833100000000 ] - [ 0.0005238000000000, 0.0002278600000000, 0.0003531100000000 ] - [ -0.0001341600000000, -0.0005279000000000, 0.0010980200000000 ] - [ -0.0010385600000000, -0.0002366300000000, -0.0004915000000000 ] - [ -0.0001139500000000, 0.0001308500000000, 0.0003747700000000 ] - [ 0.0008442000000000, 0.0002792300000000, -0.0001689500000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010217500000000, -0.0013433900000000, 0.0021001600000000 ] - [ -0.0040141900000000, -0.0009571900000000, 0.0000897900000000 ] - [ 0.0001741300000000, -0.0002481600000000, 0.0001120900000000 ] - [ 0.0004508300000000, 0.0004050100000000, 0.0002751200000000 ] - [ 0.0001787800000000, -0.0002660000000000, -0.0001719500000000 ] - [ -0.0000203700000000, -0.0000896500000000, 0.0004013800000000 ] - [ -0.0021590900000000, 0.0011539800000000, 0.0019661200000000 ] - [ 0.0015217400000000, 0.0011094900000000, 0.0005397700000000 ] - [ -0.0003991700000000, 0.0002098500000000, -0.0000790700000000 ] - [ -0.0002342500000000, 0.0002481500000000, -0.0002644700000000 ] - [ 0.0003692000000000, -0.0000413700000000, 0.0002709100000000 ] - [ 0.0003049000000000, -0.0001191400000000, -0.0000832700000000 ] - [ -0.0002569100000000, 0.0004815800000000, 0.0004857100000000 ] - [ 0.0000492900000000, -0.0000320500000000, 0.0000937000000000 ] - [ 0.0000512500000000, -0.0002503300000000, 0.0000148700000000 ] - [ -0.0043809800000000, -0.0005042500000000, 0.0006463400000000 ] - [ 0.0001552800000000, -0.0001929200000000, -0.0000613400000000 ] - [ 0.0017165700000000, 0.0019155800000000, 0.0021730500000000 ] - [ 0.0000543500000000, -0.0002881600000000, 0.0004903400000000 ] - [ -0.0002901500000000, -0.0003315100000000, 0.0001597300000000 ] - [ -0.0005688700000000, 0.0002350100000000, 0.0000895800000000 ] - [ -0.0020264200000000, 0.0005496200000000, 0.0016847800000000 ] - [ 0.0004200100000000, -0.0001917000000000, 0.0001511300000000 ] - [ 0.0010876700000000, -0.0027522000000000, -0.0006361100000000 ] - [ 0.0003848800000000, -0.0004059600000000, -0.0001298200000000 ] - [ 0.0000108400000000, 0.0028685200000000, -0.0009818100000000 ] - [ -0.0003501600000000, 0.0002277500000000, -0.0001477000000000 ] - [ -0.0002248700000000, -0.0001171100000000, -0.0000139100000000 ] - [ 0.0286513900000000, 0.0091704600000000, -0.0032145500000000 ] - [ -0.0033600100000000, 0.0014368400000000, -0.0035723500000000 ] - [ -0.0002423700000000, -0.0003682100000000, -0.0001369900000000 ] - [ -0.0001717000000000, 0.0000586900000000, 0.0001093100000000 ] - [ -0.0000889200000000, -0.0002484900000000, 0.0000803000000000 ] - [ -0.0001265100000000, 0.0000556600000000, -0.0000767100000000 ] - [ -0.0099661200000000, -0.0010049100000000, -0.0000337600000000 ] - [ 0.0041152100000000, -0.0005716400000000, -0.0008557500000000 ] - [ 0.0003043300000000, 0.0000164000000000, -0.0001661400000000 ] - [ 0.0014174400000000, 0.0012179500000000, -0.0026970800000000 ] - [ -0.0001698200000000, -0.0000672200000000, -0.0000803400000000 ] - [ 0.0000058200000000, 0.0000308300000000, 0.0000029600000000 ] - [ -0.0001525100000000, -0.0000818800000000, 0.0001088400000000 ] - [ -0.0004630600000000, -0.0022575100000000, -0.0003513600000000 ] - [ 0.0001340100000000, -0.0009433100000000, -0.0001043500000000 ] - [ -0.0004220700000000, 0.0005486100000000, -0.0016918300000000 ] - [ -0.0009681900000000, 0.0002266800000000, 0.0003001400000000 ] - [ 0.0036991300000000, 0.0011746200000000, -0.0013754900000000 ] - [ 0.0001395800000000, -0.0000426800000000, 0.0002701700000000 ] - [ -0.0001086500000000, -0.0001549700000000, -0.0003445100000000 ] - [ -0.0002752400000000, -0.0001490500000000, 0.0001582100000000 ] - [ -0.0003421500000000, 0.0005577100000000, -0.0005236900000000 ] - [ 0.0009719300000000, 0.0003827000000000, 0.0000497200000000 ] - [ -0.0063576800000000, 0.0000480400000000, -0.0017588600000000 ] - [ -0.0000682700000000, 0.0001975300000000, 0.0000972600000000 ] - [ 0.0025932500000000, -0.0040932600000000, 0.0011459000000000 ] - [ -0.0005081000000000, -0.0001596700000000, -0.0003078500000000 ] - [ -0.0003179400000000, 0.0003767000000000, 0.0002616100000000 ] - [ -0.0069350600000000, -0.0006432400000000, 0.0016594500000000 ] - [ 0.0021420900000000, -0.0038234500000000, 0.0017646700000000 ] - [ 0.0000979800000000, 0.0001393900000000, -0.0003692200000000 ] - [ 0.0000229600000000, 0.0001164000000000, 0.0003805300000000 ] - [ -0.0053576600000000, 0.0002632300000000, 0.0015480700000000 ] - [ 0.0008763400000000, -0.0009195300000000, 0.0016832900000000 ] - [ 0.0001758000000000, 0.0001210500000000, 0.0001846600000000 ] - [ 0.0000584800000000, 0.0002254000000000, -0.0001861300000000 ] - [ 0.0006197200000000, 0.0010199600000000, -0.0005595100000000 ] - [ -0.0046722100000000, -0.0013437900000000, 0.0021830500000000 ] - [ 0.0001321200000000, 0.0000584300000000, -0.0002498500000000 ] - [ 0.0001446500000000, 0.0003880500000000, 0.0007914600000000 ] - [ 0.0000307900000000, 0.0001613100000000, 0.0003649200000000 ] - [ -0.0003742100000000, -0.0000887000000000, 0.0000244900000000 ] - [ -0.0008114900000000, -0.0002692600000000, -0.0000833300000000 ] - [ 0.0012914700000000, -0.0008718400000000, -0.0021708800000000 ] - [ -0.0001551400000000, 0.0003087800000000, 0.0004304700000000 ] - [ -0.0000371100000000, -0.0000905800000000, -0.0003487700000000 ] - [ 0.0003949400000000, -0.0004364800000000, 0.0001262700000000 ] - [ 0.0000546200000000, -0.0003950600000000, -0.0008687400000000 ] - [ 0.0002946800000000, 0.0003528400000000, 0.0001053500000000 ] - [ -0.0003455700000000, -0.0002211700000000, -0.0002790000000000 ] - [ -0.0002815300000000, -0.0000888700000000, 0.0004173300000000 ] - [ -0.0001589100000000, -0.0001418700000000, -0.0000293500000000 ] - [ -0.0003471600000000, -0.0003587500000000, -0.0001365600000000 ] - [ -0.0005969300000000, -0.0001890100000000, 0.0001928300000000 ] - [ 0.0002599000000000, 0.0003534300000000, -0.0001275300000000 ] - [ 0.0008819400000000, -0.0003266100000000, -0.0002990700000000 ] - [ -0.0001609400000000, 0.0001339700000000, -0.0004051200000000 ] - [ 0.0011900700000000, -0.0000072200000000, 0.0007862200000000 ] - [ 0.0004757000000000, -0.0004449800000000, -0.0005549100000000 ] - [ -0.0002969000000000, 0.0000270000000000, 0.0003771700000000 ] - [ 0.0003648200000000, 0.0002678300000000, -0.0003650500000000 ] - [ 0.0012657000000000, 0.0005006500000000, -0.0002499500000000 ] - [ -0.0001167700000000, 0.0001321800000000, 0.0003629000000000 ] - [ -0.0010759900000000, -0.0005395500000000, -0.0005680500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014265800000000, 0.0015312700000000, -0.0025453700000000 ] - [ 0.0011043600000000, -0.0052324500000000, 0.0002729700000000 ] - [ 0.0000332000000000, 0.0011995300000000, 0.0005987500000000 ] - [ 0.0006224600000000, 0.0015166900000000, 0.0012895600000000 ] - [ -0.0000167800000000, 0.0011034600000000, -0.0005607400000000 ] - [ 0.0005723500000000, 0.0017830600000000, -0.0014572200000000 ] - [ 0.0003716000000000, 0.0020235500000000, 0.0018521300000000 ] - [ -0.0012861700000000, -0.0042559800000000, -0.0000537600000000 ] - [ -0.0003321200000000, -0.0014907100000000, 0.0005292500000000 ] - [ -0.0004662700000000, -0.0014344000000000, -0.0000344600000000 ] - [ 0.0003056100000000, 0.0018780200000000, 0.0002668100000000 ] - [ 0.0004280900000000, 0.0019556300000000, -0.0001376200000000 ] - [ -0.0003918500000000, 0.0011470800000000, 0.0008902100000000 ] - [ -0.0003864100000000, -0.0008629800000000, -0.0005403900000000 ] - [ 0.0000991500000000, 0.0015195300000000, -0.0007651300000000 ] - [ 0.0000194900000000, 0.0039131900000000, -0.0018019200000000 ] - [ 0.0000187100000000, 0.0016242800000000, 0.0005114000000000 ] - [ -0.0007330300000000, 0.0033149600000000, 0.0036516200000000 ] - [ -0.0003182500000000, 0.0010907300000000, -0.0007079900000000 ] - [ -0.0001504500000000, -0.0007272600000000, 0.0000508800000000 ] - [ -0.0002685500000000, 0.0001319300000000, -0.0002642900000000 ] - [ 0.0004651200000000, -0.0021471700000000, -0.0038730100000000 ] - [ 0.0003132600000000, 0.0012086300000000, 0.0001115400000000 ] - [ -0.0003389300000000, 0.0031687500000000, 0.0007640300000000 ] - [ 0.0003911500000000, 0.0012336100000000, -0.0001661800000000 ] - [ 0.0004502800000000, 0.0020242300000000, -0.0004481400000000 ] - [ -0.0003011300000000, 0.0000803100000000, 0.0007122700000000 ] - [ -0.0008078400000000, -0.0010800800000000, 0.0004778200000000 ] - [ -0.0088309600000000, -0.0419500300000000, 0.0045790000000000 ] - [ 0.0017809500000000, 0.0022066300000000, -0.0014406100000000 ] - [ 0.0000182000000000, 0.0006219800000000, -0.0000460000000000 ] - [ -0.0002917400000000, 0.0014777800000000, 0.0001600500000000 ] - [ -0.0001012600000000, 0.0006443300000000, -0.0003030000000000 ] - [ -0.0002954200000000, 0.0014368400000000, -0.0001276700000000 ] - [ 0.0013546400000000, -0.0079928700000000, 0.0000469400000000 ] - [ -0.0001982000000000, 0.0119704900000000, 0.0004630600000000 ] - [ 0.0003587800000000, 0.0002628700000000, -0.0008824100000000 ] - [ -0.0018584500000000, -0.0010486200000000, -0.0028630800000000 ] - [ -0.0002112700000000, 0.0011277900000000, -0.0000883500000000 ] - [ -0.0007069700000000, -0.0001406700000000, 0.0007468700000000 ] - [ -0.0001589200000000, 0.0008937100000000, 0.0001055000000000 ] - [ -0.0004162400000000, 0.0013318400000000, -0.0008457400000000 ] - [ 0.0005902400000000, 0.0010376800000000, 0.0010165400000000 ] - [ 0.0007406600000000, -0.0016289400000000, 0.0030185300000000 ] - [ -0.0001529200000000, -0.0012731600000000, -0.0014620900000000 ] - [ -0.0028453900000000, -0.0018521300000000, 0.0035166900000000 ] - [ 0.0000191800000000, 0.0013771600000000, 0.0000165900000000 ] - [ 0.0000752500000000, 0.0011831800000000, 0.0000091800000000 ] - [ -0.0004788000000000, -0.0014455600000000, 0.0002263500000000 ] - [ -0.0004139400000000, -0.0000033800000000, 0.0008664400000000 ] - [ -0.0005696100000000, -0.0029274300000000, -0.0003038800000000 ] - [ 0.0015956300000000, 0.0071769500000000, -0.0010912000000000 ] - [ 0.0008243800000000, -0.0026175700000000, 0.0014925900000000 ] - [ 0.0036635800000000, 0.0031322500000000, 0.0004735200000000 ] - [ -0.0005155200000000, -0.0015610900000000, -0.0004031700000000 ] - [ -0.0004126500000000, 0.0005193800000000, -0.0000890400000000 ] - [ 0.0016679100000000, 0.0099637600000000, -0.0024711400000000 ] - [ 0.0036383300000000, 0.0049991800000000, 0.0007425000000000 ] - [ 0.0000029500000000, -0.0014127600000000, -0.0001789700000000 ] - [ 0.0000186300000000, -0.0013072000000000, 0.0002868500000000 ] - [ -0.0001388300000000, 0.0051982500000000, -0.0029300800000000 ] - [ 0.0002745900000000, 0.0023247400000000, 0.0018895700000000 ] - [ 0.0001415700000000, -0.0012001100000000, -0.0000310700000000 ] - [ 0.0001652000000000, -0.0014825600000000, 0.0001015200000000 ] - [ -0.0003314900000000, -0.0019146100000000, 0.0012767100000000 ] - [ 0.0003705700000000, 0.0078220000000000, 0.0004550600000000 ] - [ 0.0002286200000000, -0.0014546800000000, -0.0004652200000000 ] - [ -0.0001229900000000, -0.0003169000000000, -0.0007769500000000 ] - [ 0.0002443700000000, -0.0012239700000000, 0.0004198500000000 ] - [ 0.0002935700000000, -0.0007669500000000, 0.0009584700000000 ] - [ 0.0007391900000000, -0.0020838100000000, -0.0017696800000000 ] - [ -0.0001367800000000, 0.0025406700000000, -0.0016918900000000 ] - [ -0.0001280500000000, -0.0019335500000000, 0.0001612700000000 ] - [ -0.0001465800000000, -0.0021106100000000, -0.0002645400000000 ] - [ 0.0004104800000000, 0.0024443500000000, -0.0007519100000000 ] - [ 0.0005877700000000, 0.0015585400000000, 0.0005797800000000 ] - [ 0.0002559200000000, -0.0015121600000000, 0.0000819100000000 ] - [ 0.0004661400000000, -0.0033562200000000, 0.0000763800000000 ] - [ -0.0002775700000000, -0.0000816300000000, -0.0008428200000000 ] - [ -0.0005866700000000, 0.0022632100000000, 0.0002396900000000 ] - [ -0.0003383600000000, 0.0001483800000000, 0.0000975900000000 ] - [ -0.0000677800000000, 0.0027626800000000, 0.0003541000000000 ] - [ 0.0002414300000000, -0.0016497900000000, -0.0000467300000000 ] - [ 0.0001191900000000, -0.0024336500000000, -0.0004183200000000 ] - [ 0.0002828000000000, -0.0002367700000000, 0.0004367700000000 ] - [ -0.0005847800000000, -0.0013362800000000, 0.0025371500000000 ] - [ 0.0001524900000000, -0.0008284300000000, -0.0017147500000000 ] - [ 0.0012835200000000, 0.0002205500000000, 0.0006061900000000 ] - [ -0.0000477000000000, -0.0006963600000000, 0.0014335200000000 ] - [ 0.0006780100000000, 0.0001300300000000, -0.0009649400000000 ] - [ 0.0003283000000000, -0.0002623900000000, -0.0004760800000000 ] - [ -0.0002176400000000, -0.0009517500000000, -0.0023544500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010466100000000, -0.0012001500000000, 0.0028339700000000 ] - [ -0.0014805100000000, 0.0049040900000000, -0.0005688100000000 ] - [ 0.0003454400000000, -0.0015324300000000, -0.0003099200000000 ] - [ -0.0002469900000000, -0.0011887500000000, -0.0015855300000000 ] - [ 0.0003960800000000, -0.0014398300000000, 0.0002747700000000 ] - [ -0.0001952300000000, -0.0014522200000000, 0.0017505900000000 ] - [ -0.0007530300000000, -0.0016974500000000, -0.0021426000000000 ] - [ 0.0009099900000000, 0.0039297400000000, 0.0003627400000000 ] - [ -0.0003545100000000, 0.0014892400000000, -0.0001925200000000 ] - [ -0.0002186600000000, 0.0014327500000000, -0.0003043800000000 ] - [ 0.0003808100000000, -0.0018798200000000, 0.0000711000000000 ] - [ 0.0002565400000000, -0.0019564300000000, -0.0001990100000000 ] - [ 0.0002338000000000, -0.0007925300000000, -0.0007661400000000 ] - [ 0.0002315300000000, 0.0005128200000000, 0.0004195200000000 ] - [ 0.0000570500000000, -0.0018707700000000, 0.0008828700000000 ] - [ 0.0001292400000000, -0.0035627200000000, 0.0016864300000000 ] - [ 0.0001360700000000, -0.0019744200000000, -0.0006274500000000 ] - [ 0.0008986100000000, -0.0029642000000000, -0.0035400400000000 ] - [ 0.0001610200000000, -0.0007375300000000, 0.0005844400000000 ] - [ -0.0000070200000000, 0.0003747200000000, 0.0000703400000000 ] - [ -0.0005161900000000, 0.0003401200000000, 0.0004869300000000 ] - [ -0.0012529800000000, 0.0016713800000000, 0.0036511500000000 ] - [ 0.0004712600000000, -0.0016814000000000, 0.0001127700000000 ] - [ 0.0011194500000000, -0.0026925500000000, -0.0009854400000000 ] - [ 0.0004007400000000, -0.0017068800000000, -0.0000609200000000 ] - [ 0.0003408500000000, -0.0015456100000000, 0.0006732100000000 ] - [ -0.0004857600000000, 0.0003900600000000, -0.0009361400000000 ] - [ 0.0000202900000000, 0.0006081800000000, -0.0002508100000000 ] - [ 0.0091188200000000, 0.0421482700000000, -0.0045761000000000 ] - [ -0.0014410500000000, -0.0025769800000000, 0.0016390700000000 ] - [ -0.0003559400000000, -0.0009849300000000, -0.0001473900000000 ] - [ -0.0000453500000000, -0.0011151800000000, 0.0000323600000000 ] - [ -0.0002361800000000, -0.0010064500000000, 0.0004942000000000 ] - [ -0.0000423500000000, -0.0010739100000000, -0.0000653100000000 ] - [ -0.0010145700000000, 0.0083626400000000, 0.0001626800000000 ] - [ 0.0005370700000000, -0.0122064300000000, -0.0006523500000000 ] - [ 0.0000231700000000, -0.0002737700000000, 0.0006639700000000 ] - [ 0.0022292000000000, 0.0010710900000000, 0.0030649800000000 ] - [ -0.0001649000000000, -0.0011190100000000, -0.0001237300000000 ] - [ 0.0003344800000000, 0.0001331900000000, -0.0005381100000000 ] - [ -0.0002234200000000, -0.0008858300000000, 0.0001101400000000 ] - [ 0.0000371500000000, -0.0013242200000000, 0.0006348600000000 ] - [ -0.0002108300000000, -0.0010515900000000, -0.0008023700000000 ] - [ -0.0003616900000000, 0.0016445100000000, -0.0032492300000000 ] - [ 0.0001893000000000, 0.0012725100000000, 0.0021096800000000 ] - [ 0.0028741100000000, 0.0018447800000000, -0.0041737100000000 ] - [ -0.0000477800000000, -0.0013771000000000, 0.0006340100000000 ] - [ -0.0001044100000000, -0.0011827300000000, -0.0006585300000000 ] - [ -0.0003263100000000, 0.0008695300000000, 0.0002224200000000 ] - [ -0.0003922900000000, 0.0005760000000000, -0.0013138000000000 ] - [ 0.0013650500000000, 0.0034994300000000, 0.0007494200000000 ] - [ -0.0009495100000000, -0.0079857800000000, 0.0004310700000000 ] - [ -0.0000140800000000, 0.0031904200000000, -0.0019308500000000 ] - [ -0.0027292400000000, -0.0038309500000000, -0.0000084900000000 ] - [ -0.0002909400000000, 0.0009859700000000, -0.0000465100000000 ] - [ -0.0003922700000000, 0.0000544700000000, 0.0005396500000000 ] - [ -0.0015751400000000, -0.0097285800000000, 0.0014012000000000 ] - [ -0.0038873200000000, -0.0048902200000000, 0.0000525200000000 ] - [ 0.0001121500000000, 0.0014110500000000, -0.0005969000000000 ] - [ 0.0000948200000000, 0.0013068900000000, 0.0004891300000000 ] - [ 0.0000004000000000, -0.0050820000000000, 0.0033785400000000 ] - [ -0.0005157000000000, -0.0023165200000000, -0.0022169500000000 ] - [ 0.0000915100000000, 0.0011997400000000, 0.0003525400000000 ] - [ 0.0000656200000000, 0.0014800700000000, -0.0004227100000000 ] - [ 0.0001380700000000, 0.0019895600000000, -0.0018838800000000 ] - [ -0.0006527700000000, -0.0079838400000000, 0.0002992900000000 ] - [ -0.0000332300000000, 0.0013799000000000, -0.0001440300000000 ] - [ 0.0003157500000000, 0.0003929100000000, 0.0013890700000000 ] - [ -0.0000518600000000, 0.0011483900000000, 0.0001890500000000 ] - [ -0.0000998300000000, 0.0008396700000000, -0.0015682700000000 ] - [ -0.0009267900000000, 0.0021577400000000, 0.0023657400000000 ] - [ -0.0000504000000000, -0.0026262300000000, 0.0010795400000000 ] - [ -0.0000747000000000, 0.0019336500000000, 0.0006068700000000 ] - [ -0.0000558500000000, 0.0021092700000000, -0.0005024800000000 ] - [ -0.0002122800000000, -0.0024415100000000, 0.0015224500000000 ] - [ -0.0003836400000000, -0.0015563000000000, -0.0013445900000000 ] - [ 0.0002939700000000, 0.0020487900000000, 0.0001352000000000 ] - [ 0.0000836500000000, 0.0028320300000000, -0.0002972900000000 ] - [ -0.0002702700000000, -0.0004519500000000, 0.0010619300000000 ] - [ 0.0000365000000000, -0.0017263000000000, -0.0004556700000000 ] - [ -0.0002112300000000, -0.0006836400000000, -0.0003153300000000 ] - [ -0.0004806900000000, -0.0022263100000000, -0.0001322000000000 ] - [ 0.0003067900000000, 0.0021859300000000, -0.0001728800000000 ] - [ 0.0004287100000000, 0.0018996800000000, 0.0006357900000000 ] - [ -0.0005100600000000, 0.0004971400000000, -0.0011726700000000 ] - [ 0.0003522100000000, 0.0010779700000000, -0.0018055500000000 ] - [ 0.0000764700000000, 0.0005701100000000, 0.0009820500000000 ] - [ -0.0010637100000000, 0.0000343800000000, 0.0001276900000000 ] - [ 0.0002785000000000, 0.0004373300000000, -0.0007011600000000 ] - [ -0.0004444800000000, 0.0001283400000000, 0.0002366300000000 ] - [ -0.0005580500000000, 0.0005232600000000, 0.0012113000000000 ] - [ -0.0000068300000000, 0.0006942300000000, 0.0016228900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008743800000000, -0.0021823700000000, 0.0024635100000000 ] - [ -0.0013995000000000, 0.0000397400000000, -0.0002952100000000 ] - [ 0.0002655500000000, -0.0003437900000000, 0.0000832400000000 ] - [ 0.0002321200000000, 0.0006927100000000, 0.0008344800000000 ] - [ 0.0001496200000000, -0.0000882400000000, 0.0000852400000000 ] - [ 0.0003937600000000, -0.0001439700000000, 0.0001772700000000 ] - [ 0.0019769900000000, 0.0023796300000000, -0.0007386400000000 ] - [ 0.0007066700000000, 0.0013800500000000, 0.0069673700000000 ] - [ -0.0002039500000000, 0.0004333700000000, 0.0025733400000000 ] - [ -0.0004410000000000, 0.0002346000000000, 0.0021064700000000 ] - [ 0.0004007300000000, 0.0001591800000000, -0.0005400100000000 ] - [ 0.0003042700000000, -0.0000354000000000, -0.0009535200000000 ] - [ -0.0001908000000000, 0.0006407000000000, 0.0008159600000000 ] - [ 0.0006322000000000, 0.0010916200000000, 0.0026883500000000 ] - [ -0.0000296200000000, -0.0004530100000000, -0.0002972000000000 ] - [ 0.0004170000000000, -0.0006346200000000, -0.0041760200000000 ] - [ 0.0000982300000000, -0.0002516700000000, -0.0007303200000000 ] - [ -0.0013253900000000, 0.0029208400000000, -0.0002450000000000 ] - [ 0.0001767000000000, -0.0003510100000000, 0.0012143500000000 ] - [ -0.0003342400000000, -0.0011552100000000, 0.0019236800000000 ] - [ -0.0006114300000000, 0.0000089900000000, 0.0008849800000000 ] - [ -0.0008633000000000, 0.0007536700000000, 0.0047011500000000 ] - [ 0.0002921700000000, -0.0003325900000000, -0.0001884700000000 ] - [ -0.0003456800000000, 0.0040388400000000, 0.0003019900000000 ] - [ 0.0004925800000000, -0.0002393900000000, -0.0002561500000000 ] - [ -0.0003085800000000, -0.0003064700000000, -0.0008341800000000 ] - [ -0.0002508400000000, 0.0009543000000000, 0.0003348800000000 ] - [ -0.0011085500000000, -0.0002660500000000, 0.0018261200000000 ] - [ 0.0033380400000000, 0.0048405800000000, -0.0436812000000000 ] - [ -0.0034694200000000, -0.0017239900000000, -0.0034057800000000 ] - [ -0.0002107000000000, -0.0002345300000000, 0.0010743700000000 ] - [ -0.0001815700000000, 0.0001171100000000, 0.0006126400000000 ] - [ -0.0001523300000000, -0.0005826600000000, 0.0012996000000000 ] - [ -0.0001495500000000, 0.0001502600000000, 0.0004218000000000 ] - [ 0.0000677300000000, 0.0002384000000000, -0.0031142600000000 ] - [ 0.0009176600000000, -0.0007676100000000, -0.0059386000000000 ] - [ 0.0000077800000000, -0.0003992100000000, 0.0002084300000000 ] - [ 0.0042299400000000, -0.0028982900000000, 0.0041297200000000 ] - [ -0.0003540200000000, 0.0001620500000000, -0.0001676300000000 ] - [ -0.0004712400000000, 0.0005481200000000, 0.0006573300000000 ] - [ -0.0001440100000000, -0.0002702500000000, 0.0002120700000000 ] - [ -0.0005390300000000, -0.0044126200000000, -0.0000753400000000 ] - [ 0.0002188700000000, 0.0015437700000000, 0.0001095000000000 ] - [ 0.0001207700000000, -0.0003508600000000, 0.0024579800000000 ] - [ 0.0005382800000000, -0.0001349400000000, 0.0031485100000000 ] - [ -0.0015676200000000, 0.0021713000000000, 0.0042814600000000 ] - [ -0.0000133100000000, -0.0004209200000000, -0.0001103400000000 ] - [ 0.0002069500000000, 0.0003117100000000, -0.0003495700000000 ] - [ -0.0002047200000000, -0.0002117400000000, -0.0004570300000000 ] - [ -0.0006399700000000, 0.0016137400000000, -0.0024919800000000 ] - [ 0.0004104000000000, 0.0002162800000000, 0.0020765300000000 ] - [ 0.0018253500000000, -0.0025610100000000, 0.0071859200000000 ] - [ 0.0002719000000000, 0.0012519900000000, 0.0004408400000000 ] - [ -0.0001672800000000, -0.0001234400000000, 0.0081894200000000 ] - [ -0.0005756500000000, -0.0005143700000000, -0.0008074100000000 ] - [ 0.0001165500000000, 0.0001512400000000, -0.0016790300000000 ] - [ -0.0016028200000000, -0.0002934300000000, 0.0099758500000000 ] - [ -0.0000399000000000, -0.0002953100000000, 0.0091362100000000 ] - [ -0.0000251300000000, 0.0003316700000000, -0.0009189200000000 ] - [ 0.0000734600000000, -0.0000960200000000, -0.0003079800000000 ] - [ -0.0013878700000000, -0.0034470100000000, 0.0037285000000000 ] - [ -0.0020251600000000, 0.0018101400000000, -0.0025852800000000 ] - [ 0.0001892300000000, -0.0002964000000000, -0.0002470500000000 ] - [ 0.0001213500000000, 0.0006753600000000, -0.0004264800000000 ] - [ 0.0003653600000000, 0.0019972600000000, -0.0011426800000000 ] - [ -0.0007993800000000, -0.0011826000000000, 0.0082144300000000 ] - [ 0.0001357300000000, -0.0004150800000000, -0.0003695900000000 ] - [ -0.0002377900000000, -0.0009758700000000, -0.0009533000000000 ] - [ 0.0000378000000000, 0.0002183800000000, 0.0000681900000000 ] - [ -0.0005285500000000, 0.0020837800000000, -0.0011016600000000 ] - [ 0.0001981000000000, -0.0010931800000000, 0.0012727000000000 ] - [ 0.0011334800000000, -0.0015054300000000, -0.0027330700000000 ] - [ -0.0002089200000000, -0.0007067700000000, 0.0006939100000000 ] - [ -0.0000529700000000, 0.0005774700000000, 0.0001147700000000 ] - [ 0.0008859800000000, -0.0016488800000000, -0.0017127200000000 ] - [ -0.0000773300000000, 0.0005780400000000, -0.0029182600000000 ] - [ 0.0002951100000000, 0.0002947600000000, 0.0005410000000000 ] - [ 0.0001952900000000, -0.0000110300000000, 0.0019365500000000 ] - [ -0.0003042100000000, -0.0013037300000000, -0.0018200700000000 ] - [ -0.0002352400000000, 0.0002325900000000, -0.0029989700000000 ] - [ -0.0002245200000000, -0.0002743200000000, -0.0016714500000000 ] - [ -0.0006852000000000, 0.0001189600000000, -0.0037086300000000 ] - [ 0.0002663500000000, 0.0003346300000000, 0.0004511700000000 ] - [ 0.0000618100000000, -0.0010432000000000, 0.0014476100000000 ] - [ -0.0001526100000000, 0.0001393600000000, -0.0004200900000000 ] - [ 0.0013463200000000, -0.0002620400000000, 0.0006926800000000 ] - [ 0.0001377100000000, -0.0005757600000000, -0.0013335800000000 ] - [ 0.0002012700000000, -0.0019385100000000, -0.0020961500000000 ] - [ 0.0001868000000000, 0.0005732300000000, -0.0008978100000000 ] - [ -0.0006669400000000, 0.0007044000000000, -0.0017121000000000 ] - [ -0.0000507800000000, 0.0002476200000000, 0.0005683100000000 ] - [ 0.0000442500000000, -0.0002076100000000, -0.0017216300000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012558600000000, 0.0025198800000000, -0.0021764400000000 ] - [ 0.0010131700000000, -0.0003669200000000, -0.0000206900000000 ] - [ 0.0001123000000000, 0.0000098700000000, 0.0002037000000000 ] - [ 0.0001465100000000, -0.0003604500000000, -0.0011207400000000 ] - [ 0.0002293600000000, -0.0002491600000000, -0.0003688000000000 ] - [ -0.0000157800000000, 0.0004749400000000, 0.0001081700000000 ] - [ -0.0023370400000000, -0.0020464300000000, 0.0004352500000000 ] - [ -0.0010930700000000, -0.0017278900000000, -0.0067272100000000 ] - [ -0.0004818400000000, -0.0004299900000000, -0.0022303700000000 ] - [ -0.0002477200000000, -0.0002312800000000, -0.0024476800000000 ] - [ 0.0002862900000000, -0.0001595800000000, 0.0008804100000000 ] - [ 0.0003824700000000, 0.0000354900000000, 0.0006134300000000 ] - [ 0.0000327300000000, -0.0002831500000000, -0.0006924700000000 ] - [ -0.0007945300000000, -0.0014593900000000, -0.0028195400000000 ] - [ 0.0001857300000000, 0.0000961000000000, 0.0004216000000000 ] - [ -0.0002807400000000, 0.0010065500000000, 0.0040381400000000 ] - [ 0.0000572300000000, -0.0001048000000000, 0.0006118500000000 ] - [ 0.0014902400000000, -0.0025506700000000, 0.0004002400000000 ] - [ -0.0003365800000000, 0.0007110800000000, -0.0013419400000000 ] - [ 0.0001753000000000, 0.0007941300000000, -0.0017948600000000 ] - [ -0.0001663900000000, 0.0004655200000000, -0.0006609000000000 ] - [ 0.0000854300000000, -0.0012197300000000, -0.0049088900000000 ] - [ 0.0004883100000000, -0.0001412100000000, 0.0004114800000000 ] - [ 0.0011265800000000, -0.0035752000000000, -0.0005253000000000 ] - [ 0.0002923800000000, -0.0002355400000000, 0.0000313000000000 ] - [ 0.0010846600000000, 0.0007968000000000, 0.0010455100000000 ] - [ -0.0005319600000000, -0.0004798200000000, -0.0005639400000000 ] - [ 0.0003266800000000, -0.0002068700000000, -0.0015978700000000 ] - [ -0.0029172000000000, -0.0043164700000000, 0.0434026400000000 ] - [ 0.0038333300000000, 0.0013557600000000, 0.0036280200000000 ] - [ -0.0001280300000000, -0.0001330000000000, -0.0012651800000000 ] - [ -0.0001556000000000, 0.0002447600000000, -0.0004208700000000 ] - [ -0.0001848800000000, 0.0002149000000000, -0.0011058900000000 ] - [ -0.0001882200000000, 0.0002123800000000, -0.0006144000000000 ] - [ 0.0002725300000000, 0.0001223000000000, 0.0033495900000000 ] - [ -0.0005989600000000, 0.0003480000000000, 0.0057486200000000 ] - [ 0.0003707000000000, 0.0003920400000000, -0.0004199700000000 ] - [ -0.0038212500000000, 0.0028792100000000, -0.0038925200000000 ] - [ -0.0000201400000000, -0.0001557600000000, -0.0000452000000000 ] - [ 0.0001004400000000, -0.0005570800000000, -0.0004460200000000 ] - [ -0.0002366800000000, 0.0002785800000000, 0.0000038500000000 ] - [ 0.0001637700000000, 0.0043763700000000, -0.0001420500000000 ] - [ 0.0001555700000000, -0.0015468000000000, 0.0000999400000000 ] - [ 0.0002556500000000, 0.0003588300000000, -0.0026653300000000 ] - [ -0.0005055700000000, 0.0001354500000000, -0.0025027400000000 ] - [ 0.0016017200000000, -0.0021555000000000, -0.0049137700000000 ] - [ -0.0000150900000000, 0.0004194800000000, 0.0007549500000000 ] - [ -0.0002367300000000, -0.0003118100000000, -0.0002966100000000 ] - [ -0.0006011400000000, -0.0003667800000000, 0.0009035100000000 ] - [ -0.0001639100000000, -0.0010275900000000, 0.0020399700000000 ] - [ 0.0003960600000000, 0.0003626000000000, -0.0016274400000000 ] - [ -0.0012047200000000, 0.0017614800000000, -0.0078756400000000 ] - [ 0.0005333000000000, -0.0006701100000000, -0.0008974300000000 ] - [ 0.0010128000000000, -0.0004896500000000, -0.0077293700000000 ] - [ -0.0002300500000000, -0.0000631700000000, 0.0003603000000000 ] - [ -0.0009224600000000, 0.0004304100000000, 0.0021231900000000 ] - [ 0.0017011400000000, 0.0005909600000000, -0.0110408800000000 ] - [ -0.0001196900000000, 0.0003320300000000, -0.0083637400000000 ] - [ 0.0001389200000000, -0.0003304900000000, 0.0001438000000000 ] - [ 0.0000394900000000, 0.0000970200000000, 0.0010808500000000 ] - [ 0.0012438400000000, 0.0035662200000000, -0.0032407000000000 ] - [ 0.0018031900000000, -0.0018160500000000, 0.0022601900000000 ] - [ 0.0000461500000000, 0.0002964400000000, 0.0005688800000000 ] - [ 0.0001119100000000, -0.0006731800000000, 0.0001039200000000 ] - [ -0.0005635500000000, -0.0019312300000000, 0.0005342000000000 ] - [ 0.0003673800000000, 0.0008505600000000, -0.0072017800000000 ] - [ 0.0000609100000000, 0.0003413400000000, -0.0002372600000000 ] - [ 0.0004324100000000, 0.0010551200000000, 0.0015591700000000 ] - [ 0.0001563200000000, -0.0002941700000000, 0.0005381100000000 ] - [ 0.0007171100000000, -0.0020008200000000, 0.0004967600000000 ] - [ -0.0003913000000000, 0.0011697300000000, -0.0006526700000000 ] - [ -0.0013389000000000, 0.0014356400000000, 0.0021212500000000 ] - [ 0.0000024800000000, 0.0007059100000000, 0.0000753100000000 ] - [ -0.0001527000000000, -0.0005781500000000, -0.0008817700000000 ] - [ -0.0006738100000000, 0.0016392100000000, 0.0024821700000000 ] - [ 0.0002823400000000, -0.0005819500000000, 0.0021499700000000 ] - [ 0.0002541400000000, 0.0002459500000000, -0.0003242300000000 ] - [ 0.0003511200000000, -0.0005352400000000, -0.0021519500000000 ] - [ -0.0002444800000000, 0.0007582100000000, 0.0020376600000000 ] - [ -0.0003129200000000, 0.0003055800000000, 0.0027772600000000 ] - [ -0.0003249100000000, -0.0002698400000000, 0.0014523400000000 ] - [ 0.0001338500000000, 0.0004167700000000, 0.0039173900000000 ] - [ 0.0002820400000000, 0.0002073100000000, -0.0006701900000000 ] - [ 0.0004887200000000, 0.0005013900000000, -0.0012326600000000 ] - [ -0.0000735700000000, 0.0001222700000000, -0.0003201100000000 ] - [ -0.0015614000000000, -0.0000023900000000, 0.0000593700000000 ] - [ 0.0000886500000000, 0.0003163500000000, 0.0005981200000000 ] - [ 0.0000337000000000, 0.0022099200000000, 0.0028370000000000 ] - [ 0.0000448000000000, -0.0008345600000000, 0.0016338000000000 ] - [ 0.0008923100000000, -0.0004511300000000, 0.0009820600000000 ] - [ -0.0001782900000000, 0.0000150700000000, 0.0001714600000000 ] - [ -0.0002765100000000, -0.0000608800000000, 0.0009793500000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0089887300000000, -0.0001615100000000, 0.0032662600000000 ] - [ -0.0001335100000000, -0.0001538100000000, -0.0003789500000000 ] - [ 0.0000982500000000, 0.0001171900000000, -0.0000078900000000 ] - [ 0.0002193400000000, 0.0000745400000000, -0.0000737300000000 ] - [ -0.0003989000000000, -0.0004710500000000, 0.0007273800000000 ] - [ 0.0001836500000000, 0.0002109200000000, 0.0000761000000000 ] - [ -0.0001301400000000, -0.0000574200000000, -0.0008292100000000 ] - [ -0.0003651500000000, -0.0002733000000000, 0.0006185200000000 ] - [ 0.0008098500000000, -0.0005190800000000, -0.0002171700000000 ] - [ -0.0010560400000000, -0.0010430600000000, -0.0004932200000000 ] - [ 0.0004371800000000, -0.0002279300000000, 0.0000098500000000 ] - [ 0.0002997600000000, -0.0001661600000000, -0.0003457400000000 ] - [ 0.0004823300000000, 0.0003195700000000, -0.0009920700000000 ] - [ -0.0000986000000000, -0.0002595400000000, 0.0000002300000000 ] - [ 0.0017837300000000, -0.0030448200000000, -0.0019752600000000 ] - [ 0.0000808600000000, 0.0001806200000000, -0.0001477400000000 ] - [ -0.0003031300000000, 0.0001083700000000, 0.0000886900000000 ] - [ 0.0001032400000000, 0.0001818200000000, 0.0000432000000000 ] - [ -0.0042932500000000, 0.0016903800000000, -0.0005898600000000 ] - [ -0.0000224900000000, -0.0002474200000000, 0.0000294300000000 ] - [ 0.0136486600000000, -0.0012900000000000, -0.0046588500000000 ] - [ -0.0004721300000000, -0.0003796900000000, -0.0001589900000000 ] - [ 0.0001866300000000, -0.0003449900000000, -0.0002938600000000 ] - [ 0.0003745500000000, 0.0001574900000000, -0.0000978700000000 ] - [ 0.0008342700000000, 0.0004007900000000, -0.0002735300000000 ] - [ 0.0003629400000000, 0.0002310600000000, 0.0000391300000000 ] - [ -0.0008643600000000, 0.0000457100000000, -0.0001268100000000 ] - [ -0.0002500600000000, -0.0007134400000000, 0.0002695800000000 ] - [ 0.0000544600000000, 0.0003470400000000, -0.0002775000000000 ] - [ -0.0010319900000000, 0.0018571100000000, -0.0039306200000000 ] - [ -0.0001860300000000, -0.0002053000000000, 0.0000715700000000 ] - [ -0.0003622600000000, 0.0007057600000000, -0.0001927900000000 ] - [ -0.0002068400000000, -0.0001496500000000, 0.0001430500000000 ] - [ 0.0001164100000000, 0.0004062800000000, 0.0002673000000000 ] - [ 0.0002265100000000, 0.0005835700000000, 0.0000613200000000 ] - [ 0.0007771400000000, -0.0007235100000000, -0.0001691600000000 ] - [ -0.1801484600000000, 0.0091614300000000, 0.0605839900000000 ] - [ 0.0001654700000000, -0.0000697400000000, -0.0000370500000000 ] - [ -0.0002422400000000, 0.0000584700000000, -0.0003979700000000 ] - [ -0.0001893400000000, -0.0000415700000000, 0.0001670700000000 ] - [ 0.0018548300000000, -0.0029950200000000, 0.0005444200000000 ] - [ -0.0002103900000000, -0.0000073200000000, -0.0001627400000000 ] - [ 0.0002039200000000, 0.0001385200000000, -0.0003995500000000 ] - [ 0.0000139600000000, 0.0001052000000000, 0.0000040600000000 ] - [ 0.0018201900000000, 0.0032663700000000, 0.0020334300000000 ] - [ 0.0000564200000000, -0.0003756800000000, -0.0009484600000000 ] - [ 0.0000053200000000, -0.0000048200000000, 0.0000913600000000 ] - [ -0.0000761300000000, -0.0002807900000000, -0.0002518900000000 ] - [ -0.0014188700000000, -0.0037704600000000, 0.0001055100000000 ] - [ -0.0003957000000000, 0.0003540700000000, -0.0002333600000000 ] - [ 0.0002830200000000, 0.0005543400000000, 0.0020059500000000 ] - [ 0.0004451700000000, -0.0003514300000000, -0.0002839900000000 ] - [ 0.0032809300000000, 0.0009096200000000, 0.0023630300000000 ] - [ 0.0004013000000000, -0.0003262600000000, 0.0003717300000000 ] - [ -0.0002437600000000, -0.0007302600000000, 0.0001451700000000 ] - [ -0.0004154100000000, 0.0004143300000000, 0.0001379900000000 ] - [ -0.0011390900000000, -0.0008846400000000, -0.0000732000000000 ] - [ 0.0003025200000000, -0.0004495300000000, 0.0010311400000000 ] - [ 0.0000141000000000, -0.0002309500000000, -0.0004444600000000 ] - [ 0.0001027500000000, 0.0000099600000000, 0.0000260700000000 ] - [ -0.0002583000000000, 0.0000186900000000, 0.0005918800000000 ] - [ 0.0029728600000000, -0.0019608200000000, 0.0002278500000000 ] - [ 0.0001328500000000, 0.0003148700000000, -0.0001847500000000 ] - [ 0.0000736500000000, -0.0001455400000000, -0.0000369600000000 ] - [ 0.0231995300000000, 0.0002386600000000, -0.0146239900000000 ] - [ -0.0000615500000000, -0.0000329300000000, 0.0005070600000000 ] - [ 0.0001497300000000, -0.0001941500000000, 0.0000753000000000 ] - [ 0.0001408800000000, 0.0001466600000000, 0.0001966500000000 ] - [ 0.0037631900000000, 0.0020779900000000, -0.0006638500000000 ] - [ 0.0001050600000000, 0.0000773500000000, -0.0002480700000000 ] - [ -0.0000366000000000, 0.0000925600000000, 0.0005333100000000 ] - [ -0.0002499500000000, -0.0002197800000000, -0.0003732400000000 ] - [ -0.0000919700000000, 0.0002820600000000, 0.0004570300000000 ] - [ -0.0000807000000000, -0.0000180600000000, -0.0001549500000000 ] - [ 0.0002367600000000, -0.0000168100000000, 0.0004716800000000 ] - [ -0.0011611500000000, 0.0037658000000000, -0.0017614700000000 ] - [ 0.0005151000000000, 0.0011564000000000, 0.0007919600000000 ] - [ 0.0002746300000000, -0.0001980800000000, 0.0000063500000000 ] - [ 0.0004846100000000, 0.0006720200000000, 0.0027566400000000 ] - [ -0.0000619200000000, 0.0003602700000000, -0.0006689000000000 ] - [ -0.0017250200000000, 0.0004198200000000, -0.0016182200000000 ] - [ -0.0003137800000000, 0.0006888900000000, 0.0003028400000000 ] - [ 0.0001077400000000, 0.0003512300000000, 0.0002865600000000 ] - [ 0.0002765700000000, -0.0001399500000000, 0.0001717400000000 ] - [ -0.0013974100000000, 0.0009186400000000, -0.0005020900000000 ] - [ -0.0000976000000000, -0.0001635600000000, 0.0004322500000000 ] - [ 0.0000272600000000, 0.0003176600000000, 0.0000098300000000 ] - [ 0.0003110900000000, 0.0001237000000000, 0.0002824300000000 ] - [ 0.1284699200000000, -0.0106886500000000, -0.0428838200000000 ] - [ 0.0001579300000000, 0.0000787500000000, -0.0003044100000000 ] - [ -0.0001315100000000, 0.0001807400000000, 0.0004369400000000 ] - [ -0.0000960100000000, -0.0001448000000000, -0.0003725900000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0094059900000000, 0.0004248700000000, -0.0029631800000000 ] - [ -0.0002457600000000, -0.0001820000000000, 0.0000914200000000 ] - [ 0.0002798500000000, -0.0004489400000000, 0.0002955600000000 ] - [ 0.0001567500000000, 0.0002553900000000, -0.0002170600000000 ] - [ 0.0007566800000000, 0.0001383800000000, -0.0010154100000000 ] - [ 0.0001933300000000, 0.0001205600000000, 0.0002147300000000 ] - [ -0.0002468800000000, 0.0003881400000000, 0.0005383200000000 ] - [ -0.0000204600000000, -0.0000640000000000, -0.0003270900000000 ] - [ -0.0014840500000000, 0.0005136300000000, 0.0005523300000000 ] - [ 0.0003625000000000, 0.0010309300000000, 0.0001497300000000 ] - [ 0.0002508600000000, 0.0002290900000000, 0.0003306100000000 ] - [ 0.0003871100000000, 0.0001669000000000, 0.0000041300000000 ] - [ -0.0006362300000000, 0.0000439700000000, 0.0011057800000000 ] - [ -0.0000604600000000, -0.0000994500000000, -0.0001254300000000 ] - [ -0.0016544300000000, 0.0027332300000000, 0.0021276400000000 ] - [ 0.0000781300000000, 0.0001780800000000, 0.0000201600000000 ] - [ 0.0004638200000000, -0.0004649700000000, -0.0002126500000000 ] - [ 0.0000588700000000, 0.0001808500000000, 0.0000894000000000 ] - [ 0.0039797900000000, -0.0013088200000000, 0.0005199800000000 ] - [ -0.0001378500000000, -0.0001139000000000, 0.0000997000000000 ] - [ -0.0140408100000000, 0.0016997400000000, 0.0046082900000000 ] - [ -0.0003065900000000, -0.0000943000000000, -0.0000660900000000 ] - [ 0.0005958300000000, -0.0001278100000000, 0.0005180800000000 ] - [ 0.0004015000000000, 0.0003136000000000, -0.0001256400000000 ] - [ -0.0000741000000000, -0.0008913100000000, 0.0000375000000000 ] - [ 0.0004182800000000, 0.0002422300000000, 0.0001843900000000 ] - [ 0.0000803100000000, 0.0004283600000000, -0.0001036800000000 ] - [ -0.0005343800000000, 0.0002337300000000, -0.0000402700000000 ] - [ 0.0002801700000000, 0.0000124800000000, 0.0000852500000000 ] - [ 0.0014335900000000, -0.0022291600000000, 0.0041190900000000 ] - [ -0.0001517300000000, -0.0001604100000000, -0.0002631300000000 ] - [ 0.0000206700000000, -0.0003353600000000, 0.0003794700000000 ] - [ -0.0001304800000000, -0.0002148900000000, 0.0000505600000000 ] - [ -0.0004341100000000, -0.0000471700000000, -0.0004353700000000 ] - [ 0.0001187300000000, -0.0002162100000000, 0.0001244300000000 ] - [ -0.0004517300000000, 0.0003787100000000, -0.0000347500000000 ] - [ 0.1752804100000000, -0.0083437900000000, -0.0582280800000000 ] - [ 0.0002116000000000, 0.0000771900000000, 0.0002485200000000 ] - [ -0.0001322800000000, -0.0000511000000000, 0.0001850100000000 ] - [ -0.0001801800000000, 0.0000330200000000, 0.0000429900000000 ] - [ -0.0022290500000000, 0.0030441400000000, -0.0003213500000000 ] - [ -0.0001642800000000, -0.0000000700000000, -0.0000501400000000 ] - [ 0.0001698600000000, -0.0001454700000000, 0.0006061600000000 ] - [ 0.0003641600000000, -0.0000934800000000, -0.0002135900000000 ] - [ -0.0017458900000000, -0.0032743000000000, -0.0013751700000000 ] - [ -0.0000255000000000, 0.0003706200000000, 0.0002955800000000 ] - [ -0.0000343800000000, 0.0000052800000000, 0.0005563600000000 ] - [ 0.0000504900000000, 0.0002752300000000, -0.0004011500000000 ] - [ 0.0006204700000000, 0.0031382200000000, 0.0003662300000000 ] - [ -0.0004102400000000, 0.0002246400000000, -0.0002146000000000 ] - [ 0.0005180600000000, 0.0000231900000000, -0.0015719900000000 ] - [ 0.0003617600000000, -0.0002278300000000, -0.0001622200000000 ] - [ -0.0024185800000000, -0.0003245000000000, -0.0026840000000000 ] - [ 0.0004025500000000, -0.0002514800000000, 0.0000758700000000 ] - [ -0.0005638700000000, 0.0001492600000000, -0.0006005000000000 ] - [ -0.0003893700000000, 0.0001650300000000, 0.0003085000000000 ] - [ 0.0010347700000000, 0.0009023300000000, -0.0007142000000000 ] - [ -0.0004148800000000, 0.0004475400000000, -0.0002499100000000 ] - [ 0.0000977300000000, 0.0002300100000000, -0.0003326400000000 ] - [ 0.0000161800000000, -0.0000051400000000, 0.0007424400000000 ] - [ 0.0000246100000000, -0.0000183300000000, -0.0002675500000000 ] - [ -0.0032168800000000, 0.0018873300000000, -0.0005271300000000 ] - [ 0.0000951400000000, -0.0003148300000000, 0.0005053700000000 ] - [ 0.0001589600000000, 0.0001436100000000, -0.0002845700000000 ] - [ -0.0248513000000000, -0.0002117000000000, 0.0145348700000000 ] - [ -0.0001315900000000, -0.0000423900000000, 0.0001028200000000 ] - [ 0.0000471900000000, 0.0001165900000000, -0.0006806100000000 ] - [ 0.0000534400000000, -0.0000697000000000, 0.0004103800000000 ] - [ -0.0036057600000000, -0.0021322600000000, 0.0012642600000000 ] - [ 0.0000890500000000, -0.0000006500000000, -0.0003593800000000 ] - [ -0.0001570900000000, -0.0000181700000000, 0.0000815400000000 ] - [ 0.0000535500000000, 0.0001435800000000, -0.0002364800000000 ] - [ -0.0001076400000000, -0.0002815400000000, 0.0003152900000000 ] - [ -0.0001237700000000, 0.0000166600000000, -0.0006128600000000 ] - [ -0.0000316400000000, 0.0000194300000000, 0.0003006600000000 ] - [ 0.0013707700000000, -0.0037026500000000, 0.0009831200000000 ] - [ 0.0000242100000000, -0.0006177700000000, -0.0005703500000000 ] - [ 0.0002747000000000, -0.0003412600000000, -0.0002241600000000 ] - [ -0.0010197800000000, -0.0011996100000000, -0.0025030700000000 ] - [ -0.0004890000000000, 0.0001804900000000, 0.0004475700000000 ] - [ 0.0010764700000000, -0.0009812900000000, 0.0013318600000000 ] - [ -0.0002337600000000, -0.0001469800000000, -0.0000830400000000 ] - [ 0.0004441400000000, 0.0001882100000000, -0.0005044900000000 ] - [ 0.0002710800000000, -0.0003988800000000, 0.0000482500000000 ] - [ 0.0011989600000000, -0.0006660300000000, -0.0002300600000000 ] - [ -0.0001309900000000, -0.0000979600000000, 0.0003045500000000 ] - [ 0.0002003000000000, -0.0005734700000000, -0.0007411200000000 ] - [ -0.0000795700000000, 0.0001370500000000, 0.0004519100000000 ] - [ -0.1217634500000000, 0.0097526300000000, 0.0406072400000000 ] - [ 0.0000719700000000, 0.0001805000000000, -0.0004284000000000 ] - [ -0.0000997000000000, 0.0000834400000000, 0.0003015500000000 ] - [ -0.0001329000000000, -0.0001167700000000, -0.0003629200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067458400000000, -0.0016019000000000, 0.0010593400000000 ] - [ -0.0000935700000000, 0.0000781100000000, -0.0002706900000000 ] - [ 0.0002599000000000, -0.0003535000000000, -0.0000922200000000 ] - [ 0.0002028800000000, 0.0011619900000000, 0.0000520900000000 ] - [ 0.0029738000000000, 0.0003738100000000, 0.0002044100000000 ] - [ 0.0003184400000000, 0.0006918700000000, -0.0001061500000000 ] - [ -0.0000659700000000, -0.0003329000000000, -0.0002690600000000 ] - [ -0.0008639700000000, 0.0009252700000000, 0.0003374700000000 ] - [ 0.0004921200000000, 0.0005945200000000, 0.0010407400000000 ] - [ -0.0009777200000000, 0.0006063500000000, 0.0010602500000000 ] - [ 0.0002794200000000, 0.0006700100000000, 0.0006772200000000 ] - [ 0.0003810300000000, 0.0005692500000000, 0.0003964100000000 ] - [ 0.0000639300000000, -0.0009998700000000, 0.0001565400000000 ] - [ 0.0000001800000000, 0.0006817900000000, 0.0002793000000000 ] - [ 0.0005783800000000, -0.0017642100000000, 0.0006587600000000 ] - [ 0.0001367800000000, 0.0008111300000000, -0.0002655700000000 ] - [ -0.0000264400000000, -0.0007188700000000, 0.0003663100000000 ] - [ 0.0001964900000000, 0.0010246200000000, 0.0001916400000000 ] - [ 0.0052014400000000, -0.0036694200000000, -0.0030711000000000 ] - [ -0.0000483200000000, 0.0004207300000000, 0.0001055200000000 ] - [ -0.0029964900000000, -0.0094681300000000, 0.0010693600000000 ] - [ -0.0003312100000000, 0.0001494200000000, 0.0001798100000000 ] - [ 0.0004441500000000, -0.0005767400000000, 0.0003988200000000 ] - [ 0.0004640800000000, 0.0010418800000000, -0.0001207900000000 ] - [ 0.0016841500000000, 0.0011957800000000, 0.0028602700000000 ] - [ 0.0004068900000000, 0.0006892000000000, 0.0002145400000000 ] - [ -0.0006398700000000, -0.0006196800000000, 0.0006178500000000 ] - [ -0.0002604400000000, 0.0004647200000000, 0.0003082200000000 ] - [ 0.0001493100000000, 0.0004523500000000, -0.0004912700000000 ] - [ 0.0013777900000000, -0.0012279200000000, -0.0028043100000000 ] - [ -0.0000981800000000, 0.0009445000000000, -0.0002564900000000 ] - [ -0.0001318200000000, 0.0000401000000000, -0.0004582500000000 ] - [ -0.0000818900000000, 0.0007102800000000, -0.0001806000000000 ] - [ -0.0024445600000000, 0.0015135900000000, -0.0045218500000000 ] - [ 0.0011008800000000, 0.0012259900000000, -0.0014397800000000 ] - [ 0.0007128200000000, -0.0018107200000000, 0.0002554400000000 ] - [ 0.0091398000000000, -0.0410165800000000, 0.0032494600000000 ] - [ 0.0002620600000000, 0.0002904700000000, 0.0001867100000000 ] - [ -0.0001330300000000, -0.0002861000000000, -0.0000511400000000 ] - [ -0.0001481700000000, 0.0008303000000000, 0.0000586900000000 ] - [ -0.0032186200000000, -0.0001053400000000, 0.0007077700000000 ] - [ -0.0001847400000000, 0.0003337900000000, -0.0000529500000000 ] - [ 0.0003295700000000, -0.0003481300000000, 0.0002805700000000 ] - [ 0.0000904000000000, 0.0013294100000000, 0.0000215400000000 ] - [ 0.0036340400000000, 0.0045820600000000, 0.0017544200000000 ] - [ -0.0000859200000000, -0.0001097200000000, 0.0000190500000000 ] - [ 0.0000447600000000, 0.0002287500000000, 0.0004347300000000 ] - [ -0.0004967700000000, 0.0019074200000000, 0.0006787200000000 ] - [ 0.0001647900000000, 0.0018331100000000, 0.0012307500000000 ] - [ -0.0003940400000000, -0.0006294600000000, -0.0002516400000000 ] - [ 0.0001579300000000, 0.0015630000000000, 0.0001030000000000 ] - [ 0.0006509000000000, -0.0016239200000000, 0.0002492500000000 ] - [ 0.0008330900000000, 0.0062477800000000, -0.0000357100000000 ] - [ 0.0003767600000000, -0.0010947300000000, 0.0004568300000000 ] - [ -0.0004727100000000, 0.0010527000000000, 0.0011305100000000 ] - [ -0.0002889600000000, -0.0009047700000000, 0.0001577100000000 ] - [ -0.0004375500000000, 0.0001838700000000, 0.0006259600000000 ] - [ 0.0003072800000000, 0.0001792100000000, 0.0013751600000000 ] - [ 0.0002874300000000, -0.0007119200000000, 0.0002673200000000 ] - [ -0.0007314400000000, -0.0018598300000000, 0.0015519300000000 ] - [ -0.0001552600000000, 0.0001869300000000, 0.0001558400000000 ] - [ 0.0004560800000000, -0.0049309600000000, 0.0030876500000000 ] - [ 0.0009079900000000, -0.0016168700000000, 0.0004361100000000 ] - [ 0.0001370500000000, -0.0002184600000000, 0.0000447500000000 ] - [ -0.0000234000000000, 0.0053205700000000, 0.0001669000000000 ] - [ -0.0001433700000000, -0.0005168500000000, 0.0003310000000000 ] - [ 0.0000062700000000, 0.0005461100000000, -0.0001531500000000 ] - [ -0.0000636600000000, -0.0012441100000000, 0.0003590300000000 ] - [ 0.0004946300000000, 0.0141804900000000, -0.0003995900000000 ] - [ 0.0000268100000000, -0.0006350700000000, -0.0002343400000000 ] - [ -0.0000976700000000, 0.0006709700000000, 0.0000049200000000 ] - [ -0.0005537500000000, -0.0015240800000000, -0.0000082300000000 ] - [ -0.0006457000000000, -0.0016651100000000, -0.0002687100000000 ] - [ -0.0001634200000000, -0.0002527000000000, -0.0006476400000000 ] - [ 0.0001454200000000, -0.0000842700000000, -0.0004422400000000 ] - [ -0.0008273400000000, -0.0000513600000000, -0.0011002100000000 ] - [ 0.0009366800000000, -0.0004565900000000, -0.0016361400000000 ] - [ 0.0002752600000000, -0.0009467500000000, -0.0002842000000000 ] - [ -0.0003766400000000, 0.0006403700000000, -0.0002913500000000 ] - [ -0.0001480300000000, -0.0010488100000000, -0.0010944400000000 ] - [ -0.0002892600000000, 0.0028342500000000, -0.0017097500000000 ] - [ -0.0002453200000000, -0.0002794700000000, -0.0003726200000000 ] - [ 0.0001357100000000, 0.0001953000000000, -0.0009965500000000 ] - [ 0.0003622400000000, -0.0012418600000000, -0.0001895200000000 ] - [ -0.0006917200000000, 0.0009691000000000, -0.0012490300000000 ] - [ -0.0002416900000000, -0.0002476000000000, 0.0006110300000000 ] - [ -0.0002222500000000, -0.0001479600000000, -0.0003273400000000 ] - [ -0.0000239600000000, -0.0000971300000000, -0.0002218200000000 ] - [ -0.0096074900000000, 0.0260199700000000, -0.0051421600000000 ] - [ -0.0000486900000000, 0.0000919100000000, -0.0002807700000000 ] - [ -0.0002074300000000, 0.0001101600000000, 0.0003816300000000 ] - [ -0.0004134600000000, -0.0003249400000000, -0.0008198400000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064606900000000, 0.0019574600000000, -0.0007606700000000 ] - [ -0.0002850500000000, -0.0004089700000000, -0.0000157300000000 ] - [ 0.0001206200000000, 0.0000134000000000, 0.0003746700000000 ] - [ 0.0001737100000000, -0.0008260900000000, -0.0003428900000000 ] - [ -0.0025584900000000, -0.0007130800000000, -0.0004798700000000 ] - [ 0.0000601300000000, -0.0003582100000000, 0.0003937900000000 ] - [ -0.0003128900000000, 0.0006686000000000, -0.0000172300000000 ] - [ 0.0004947800000000, -0.0012583500000000, -0.0000553900000000 ] - [ -0.0011757100000000, -0.0005784200000000, -0.0006932100000000 ] - [ 0.0002864600000000, -0.0005930800000000, -0.0014072700000000 ] - [ 0.0004077100000000, -0.0006715900000000, -0.0003328000000000 ] - [ 0.0003057200000000, -0.0005701900000000, -0.0007309800000000 ] - [ -0.0002269800000000, 0.0013518000000000, -0.0000217100000000 ] - [ -0.0001594700000000, -0.0010358000000000, -0.0004068300000000 ] - [ -0.0004145000000000, 0.0013825200000000, -0.0005378500000000 ] - [ 0.0000224900000000, -0.0004508300000000, 0.0001409000000000 ] - [ 0.0001870900000000, 0.0003532700000000, -0.0004916400000000 ] - [ -0.0000340300000000, -0.0006585900000000, -0.0000559900000000 ] - [ -0.0053419700000000, 0.0039834100000000, 0.0029043400000000 ] - [ -0.0001119700000000, -0.0007757200000000, 0.0000211900000000 ] - [ 0.0022124400000000, 0.0099661000000000, -0.0008488800000000 ] - [ -0.0004469700000000, -0.0006188300000000, -0.0004043000000000 ] - [ 0.0003369100000000, 0.0000987900000000, -0.0001738400000000 ] - [ 0.0003113800000000, -0.0005670900000000, -0.0001011500000000 ] - [ -0.0008768100000000, -0.0016638000000000, -0.0030484900000000 ] - [ 0.0003752200000000, -0.0002154800000000, 0.0000107200000000 ] - [ -0.0001412400000000, 0.0010882100000000, -0.0008412200000000 ] - [ -0.0005237800000000, -0.0009296800000000, -0.0000839600000000 ] - [ 0.0001891700000000, -0.0000850100000000, 0.0003000600000000 ] - [ -0.0010425000000000, 0.0008924300000000, 0.0029732400000000 ] - [ -0.0002401000000000, -0.0013013100000000, 0.0000607100000000 ] - [ -0.0002022200000000, 0.0003128900000000, 0.0006473200000000 ] - [ -0.0002549700000000, -0.0010683800000000, 0.0003683300000000 ] - [ 0.0020704400000000, -0.0011430700000000, 0.0042669700000000 ] - [ -0.0007783500000000, -0.0008643900000000, 0.0016511000000000 ] - [ -0.0003803800000000, 0.0014628500000000, -0.0004544500000000 ] - [ -0.0083562100000000, 0.0402616600000000, -0.0034698000000000 ] - [ 0.0001157500000000, -0.0002789900000000, 0.0000278200000000 ] - [ -0.0002410000000000, 0.0002901700000000, -0.0001606700000000 ] - [ -0.0002220200000000, -0.0008350600000000, 0.0001499800000000 ] - [ 0.0028207800000000, 0.0000886100000000, -0.0004890700000000 ] - [ -0.0001909500000000, -0.0003390400000000, -0.0001607500000000 ] - [ 0.0000454400000000, 0.0003373800000000, -0.0000683900000000 ] - [ 0.0002890600000000, -0.0013243000000000, -0.0002397300000000 ] - [ -0.0036539800000000, -0.0045934200000000, -0.0011284600000000 ] - [ 0.0001164100000000, 0.0001139100000000, -0.0006644100000000 ] - [ -0.0000740900000000, -0.0002303000000000, 0.0002136200000000 ] - [ 0.0004583400000000, -0.0018869100000000, -0.0013089700000000 ] - [ -0.0009667400000000, -0.0023636400000000, -0.0007862400000000 ] - [ -0.0004118800000000, 0.0012014400000000, -0.0001942800000000 ] - [ 0.0006457800000000, -0.0009793100000000, 0.0003497200000000 ] - [ 0.0001519400000000, 0.0010479200000000, -0.0007016900000000 ] - [ -0.0000202400000000, -0.0056587500000000, -0.0004177800000000 ] - [ 0.0004283400000000, 0.0005142200000000, -0.0000139200000000 ] - [ -0.0003374400000000, -0.0016115100000000, -0.0015671900000000 ] - [ -0.0005158700000000, 0.0014759700000000, 0.0002909800000000 ] - [ 0.0003230500000000, -0.0001994200000000, -0.0014034100000000 ] - [ -0.0004196700000000, -0.0001904200000000, -0.0006047900000000 ] - [ -0.0001704300000000, 0.0007091900000000, -0.0010355900000000 ] - [ 0.0008303000000000, 0.0018414300000000, -0.0007598400000000 ] - [ -0.0000775600000000, -0.0001906800000000, 0.0001642300000000 ] - [ -0.0006510500000000, 0.0048193000000000, -0.0033922400000000 ] - [ -0.0006579400000000, 0.0016048100000000, -0.0001124100000000 ] - [ 0.0000948300000000, 0.0002199300000000, -0.0003640700000000 ] - [ -0.0002130700000000, -0.0052199200000000, -0.0007127400000000 ] - [ -0.0000508500000000, 0.0004362200000000, 0.0002761700000000 ] - [ 0.0001898800000000, -0.0006139000000000, -0.0004535700000000 ] - [ 0.0002562200000000, 0.0013135200000000, 0.0002500100000000 ] - [ -0.0002514700000000, -0.0134218500000000, 0.0008149200000000 ] - [ 0.0001673000000000, 0.0007063900000000, -0.0003722200000000 ] - [ -0.0000976400000000, -0.0005937400000000, 0.0006062300000000 ] - [ 0.0003628600000000, 0.0014473700000000, -0.0005981300000000 ] - [ 0.0004311600000000, 0.0016558600000000, 0.0010280400000000 ] - [ -0.0000418500000000, 0.0002548900000000, -0.0001228700000000 ] - [ 0.0000599600000000, 0.0000790600000000, 0.0012079800000000 ] - [ 0.0010252700000000, 0.0000153300000000, 0.0003404900000000 ] - [ -0.0003799400000000, 0.0010022400000000, 0.0018395700000000 ] - [ 0.0002738800000000, 0.0004061800000000, 0.0000627100000000 ] - [ -0.0001785400000000, -0.0011850100000000, 0.0004889700000000 ] - [ -0.0004007400000000, 0.0015820600000000, 0.0008822800000000 ] - [ -0.0002506400000000, -0.0034265900000000, 0.0014354900000000 ] - [ -0.0003046100000000, 0.0008102200000000, 0.0005897000000000 ] - [ 0.0004124800000000, 0.0003507200000000, 0.0007719800000000 ] - [ 0.0001866600000000, 0.0006990600000000, 0.0004024800000000 ] - [ 0.0004461400000000, -0.0007068800000000, 0.0004955900000000 ] - [ 0.0000122400000000, -0.0000137300000000, 0.0001259400000000 ] - [ 0.0004490500000000, -0.0001145600000000, -0.0004100200000000 ] - [ 0.0002475700000000, 0.0003584900000000, 0.0009595000000000 ] - [ 0.0093513700000000, -0.0262243100000000, 0.0061431200000000 ] - [ 0.0002766200000000, 0.0001666900000000, -0.0004516700000000 ] - [ -0.0000225500000000, 0.0001539700000000, 0.0003597300000000 ] - [ 0.0001837100000000, 0.0000622400000000, 0.0000806700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0044584500000000, -0.0016912100000000, -0.0068048800000000 ] - [ -0.0001902600000000, -0.0003392900000000, 0.0004786800000000 ] - [ -0.0000192000000000, 0.0002352500000000, 0.0012642400000000 ] - [ 0.0001918400000000, 0.0002230500000000, -0.0003765000000000 ] - [ -0.0006629200000000, 0.0000030900000000, -0.0014195700000000 ] - [ 0.0001798400000000, 0.0002312800000000, 0.0003242000000000 ] - [ -0.0003475600000000, 0.0003845200000000, 0.0012368200000000 ] - [ 0.0001739400000000, -0.0004502400000000, -0.0006562700000000 ] - [ 0.0015830800000000, 0.0027623500000000, 0.0012793700000000 ] - [ -0.0018922900000000, 0.0023316100000000, 0.0004523400000000 ] - [ 0.0002989800000000, 0.0004898800000000, 0.0001812200000000 ] - [ 0.0003128200000000, 0.0004878600000000, -0.0000816800000000 ] - [ -0.0000125400000000, -0.0003471400000000, 0.0017305600000000 ] - [ -0.0001631100000000, 0.0000041700000000, -0.0003402500000000 ] - [ 0.0009592100000000, 0.0019589100000000, -0.0003831300000000 ] - [ 0.0000792800000000, 0.0001563700000000, 0.0000600100000000 ] - [ -0.0009024100000000, 0.0014039200000000, 0.0024858500000000 ] - [ 0.0001094400000000, 0.0001644000000000, -0.0000717000000000 ] - [ -0.0078042700000000, -0.0006287000000000, 0.0028586700000000 ] - [ -0.0001812900000000, 0.0000336100000000, 0.0002851600000000 ] - [ -0.0079683300000000, 0.0007887200000000, -0.0077375000000000 ] - [ -0.0002139800000000, 0.0001094800000000, 0.0002429300000000 ] - [ 0.0004765200000000, 0.0000912400000000, 0.0006116300000000 ] - [ 0.0004060800000000, 0.0003565900000000, -0.0002244100000000 ] - [ 0.0013986200000000, 0.0025614400000000, -0.0009355400000000 ] - [ 0.0004367100000000, 0.0003129000000000, 0.0002199300000000 ] - [ -0.0004418500000000, -0.0004004300000000, 0.0017966600000000 ] - [ -0.0002090400000000, 0.0003152800000000, -0.0002192900000000 ] - [ 0.0002282500000000, -0.0005954200000000, 0.0002169600000000 ] - [ -0.0026544500000000, -0.0031533900000000, 0.0041117300000000 ] - [ -0.0001431100000000, -0.0001990500000000, -0.0001565500000000 ] - [ -0.0000656700000000, -0.0004621500000000, 0.0006506800000000 ] - [ -0.0001698300000000, -0.0001831500000000, 0.0002014000000000 ] - [ -0.0004082800000000, -0.0005624600000000, -0.0000522700000000 ] - [ -0.0000391300000000, -0.0007299600000000, 0.0000966800000000 ] - [ 0.0017676100000000, -0.0033328500000000, 0.0024758700000000 ] - [ 0.0590473800000000, 0.0033906700000000, -0.0683807600000000 ] - [ 0.0003256100000000, 0.0000805900000000, 0.0005340600000000 ] - [ 0.0001087200000000, -0.0000522500000000, 0.0004969800000000 ] - [ -0.0001212500000000, 0.0000441100000000, -0.0000277500000000 ] - [ 0.0002602700000000, 0.0005930000000000, -0.0019238300000000 ] - [ -0.0001271300000000, 0.0000521400000000, 0.0000419500000000 ] - [ 0.0006865500000000, -0.0001761300000000, 0.0012021300000000 ] - [ 0.0002917400000000, -0.0001280300000000, -0.0006163900000000 ] - [ -0.0004363000000000, 0.0020091900000000, -0.0032839000000000 ] - [ -0.0004108900000000, 0.0001749800000000, 0.0011297000000000 ] - [ -0.0000846900000000, 0.0001800700000000, 0.0007191300000000 ] - [ 0.0000060700000000, -0.0000912000000000, -0.0010262100000000 ] - [ -0.0004982500000000, 0.0027173400000000, -0.0000627500000000 ] - [ -0.0004031500000000, 0.0000453200000000, -0.0003257200000000 ] - [ 0.0004340800000000, -0.0002114600000000, -0.0018467000000000 ] - [ 0.0003243800000000, 0.0000346500000000, -0.0000220600000000 ] - [ 0.0001735100000000, 0.0011303000000000, 0.0033732900000000 ] - [ 0.0003719600000000, -0.0000673500000000, -0.0000719300000000 ] - [ -0.0004967700000000, 0.0010098400000000, -0.0017935500000000 ] - [ -0.0004047800000000, 0.0000454100000000, 0.0003328900000000 ] - [ 0.0003255300000000, 0.0016933900000000, 0.0001183200000000 ] - [ -0.0000969300000000, 0.0013960000000000, -0.0008727900000000 ] - [ 0.0001082400000000, 0.0001739400000000, -0.0006893700000000 ] - [ 0.0001862800000000, 0.0003188700000000, 0.0004836500000000 ] - [ -0.0000579500000000, 0.0003653000000000, -0.0011447600000000 ] - [ 0.0007054600000000, 0.0036087400000000, 0.0031726800000000 ] - [ -0.0000918000000000, 0.0000563000000000, 0.0004877900000000 ] - [ 0.0000643600000000, -0.0000159900000000, -0.0004997200000000 ] - [ -0.0084272600000000, -0.0005556300000000, 0.0108551000000000 ] - [ -0.0000875400000000, 0.0000158300000000, -0.0002251400000000 ] - [ 0.0001198400000000, 0.0003076000000000, -0.0011680200000000 ] - [ 0.0000857100000000, -0.0000726800000000, 0.0004908500000000 ] - [ 0.0008109600000000, -0.0027313500000000, 0.0057364600000000 ] - [ 0.0000688000000000, -0.0001396800000000, -0.0004973800000000 ] - [ 0.0000687900000000, 0.0001976400000000, -0.0019430300000000 ] - [ -0.0000148900000000, -0.0000480500000000, 0.0002794200000000 ] - [ 0.0000761500000000, -0.0005084900000000, 0.0007598100000000 ] - [ -0.0000501500000000, -0.0003039000000000, -0.0005887200000000 ] - [ 0.0003893000000000, -0.0006708500000000, -0.0014097000000000 ] - [ -0.0002622800000000, -0.0018765300000000, 0.0013364400000000 ] - [ 0.0005793000000000, -0.0011464900000000, 0.0000105800000000 ] - [ 0.0002655200000000, -0.0004716000000000, -0.0002179600000000 ] - [ -0.0005038100000000, -0.0004373700000000, -0.0018658100000000 ] - [ -0.0002816900000000, -0.0010486600000000, 0.0002838000000000 ] - [ 0.0001438700000000, -0.0026697500000000, 0.0029684100000000 ] - [ -0.0003674300000000, -0.0005451300000000, -0.0004120000000000 ] - [ 0.0000984400000000, -0.0006329700000000, -0.0007461600000000 ] - [ 0.0002588100000000, -0.0004479700000000, 0.0002474300000000 ] - [ -0.0006887000000000, -0.0005304600000000, 0.0013956200000000 ] - [ -0.0001753200000000, -0.0000780700000000, 0.0002799300000000 ] - [ -0.0003473200000000, -0.0008236700000000, -0.0014273200000000 ] - [ -0.0001335300000000, 0.0003190200000000, 0.0007583900000000 ] - [ -0.0398618200000000, -0.0055020300000000, 0.0534551500000000 ] - [ -0.0000346100000000, 0.0002913400000000, -0.0006661800000000 ] - [ -0.0002847400000000, -0.0005097400000000, -0.0007250600000000 ] - [ -0.0002058400000000, -0.0000885300000000, -0.0002713600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0048443800000000, 0.0019699800000000, 0.0070871500000000 ] - [ -0.0001859100000000, 0.0000055200000000, -0.0007734100000000 ] - [ 0.0003941500000000, -0.0005586500000000, -0.0009593300000000 ] - [ 0.0001840900000000, 0.0001049900000000, 0.0000790700000000 ] - [ 0.0010266100000000, -0.0003366900000000, 0.0011191100000000 ] - [ 0.0001964700000000, 0.0000992800000000, -0.0000282900000000 ] - [ -0.0000302600000000, -0.0000536000000000, -0.0015273800000000 ] - [ -0.0005515800000000, 0.0001210200000000, 0.0009464000000000 ] - [ -0.0022945900000000, -0.0027855800000000, -0.0009375800000000 ] - [ 0.0012142900000000, -0.0023322900000000, -0.0007878500000000 ] - [ 0.0003876400000000, -0.0004880300000000, 0.0001571000000000 ] - [ 0.0003727200000000, -0.0004847700000000, -0.0002624700000000 ] - [ -0.0001517100000000, 0.0007128400000000, -0.0015944800000000 ] - [ 0.0000048300000000, -0.0003641000000000, 0.0002126200000000 ] - [ -0.0007800900000000, -0.0023080300000000, 0.0004926000000000 ] - [ 0.0000790400000000, 0.0002032100000000, -0.0001901600000000 ] - [ 0.0010461900000000, -0.0017433500000000, -0.0025885800000000 ] - [ 0.0000507200000000, 0.0001981600000000, 0.0002018900000000 ] - [ 0.0078201400000000, 0.0010563600000000, -0.0031014900000000 ] - [ 0.0000218100000000, -0.0003962300000000, -0.0001518400000000 ] - [ 0.0073000500000000, -0.0003322400000000, 0.0080126800000000 ] - [ -0.0005628800000000, -0.0005857100000000, -0.0004631300000000 ] - [ 0.0003006900000000, -0.0005633000000000, -0.0003898400000000 ] - [ 0.0003694800000000, 0.0001179700000000, 0.0000014800000000 ] - [ -0.0006069200000000, -0.0030156500000000, 0.0006925500000000 ] - [ 0.0003421900000000, 0.0001630900000000, 0.0000007000000000 ] - [ -0.0003334500000000, 0.0008772400000000, -0.0020213100000000 ] - [ -0.0005702400000000, -0.0007865800000000, 0.0004446400000000 ] - [ 0.0001103500000000, 0.0009512000000000, -0.0004123300000000 ] - [ 0.0029548900000000, 0.0027725600000000, -0.0039095500000000 ] - [ -0.0001948100000000, -0.0001655100000000, -0.0000341800000000 ] - [ -0.0002699000000000, 0.0008246500000000, -0.0004524600000000 ] - [ -0.0001679400000000, -0.0001807000000000, -0.0000067500000000 ] - [ 0.0000798200000000, 0.0009203000000000, -0.0001193800000000 ] - [ 0.0003797600000000, 0.0010904400000000, 0.0000881900000000 ] - [ -0.0014106700000000, 0.0029339900000000, -0.0026489700000000 ] - [ -0.0596915400000000, -0.0033288300000000, 0.0682448200000000 ] - [ 0.0000459000000000, -0.0000760400000000, -0.0003245200000000 ] - [ -0.0004777600000000, 0.0000600100000000, -0.0007037700000000 ] - [ -0.0002462400000000, -0.0000500300000000, 0.0002349100000000 ] - [ -0.0006137500000000, -0.0006011800000000, 0.0021185300000000 ] - [ -0.0002444500000000, -0.0000580000000000, -0.0002527400000000 ] - [ -0.0003146400000000, 0.0001704000000000, -0.0009900100000000 ] - [ 0.0000807900000000, 0.0001353300000000, 0.0004053800000000 ] - [ 0.0004720400000000, -0.0019838000000000, 0.0039456000000000 ] - [ 0.0004383300000000, -0.0001753300000000, -0.0017732100000000 ] - [ 0.0000562500000000, -0.0001781700000000, -0.0000701900000000 ] - [ -0.0000343300000000, 0.0000889400000000, 0.0003718600000000 ] - [ -0.0003075300000000, -0.0032874100000000, 0.0004900100000000 ] - [ -0.0003964000000000, 0.0005387500000000, -0.0001198800000000 ] - [ 0.0003628600000000, 0.0007919200000000, 0.0022855000000000 ] - [ 0.0004747800000000, -0.0006173100000000, -0.0004185100000000 ] - [ 0.0008087900000000, -0.0004986800000000, -0.0034128300000000 ] - [ 0.0004263700000000, -0.0005137900000000, 0.0005156600000000 ] - [ -0.0003013500000000, -0.0016000400000000, 0.0013440300000000 ] - [ -0.0003936900000000, 0.0005380700000000, 0.0001079500000000 ] - [ -0.0004421100000000, -0.0016849700000000, -0.0008827700000000 ] - [ -0.0000122400000000, -0.0013843800000000, 0.0016454700000000 ] - [ 0.0000047300000000, -0.0001734800000000, -0.0000900600000000 ] - [ -0.0000702700000000, -0.0003127000000000, 0.0002850500000000 ] - [ -0.0001723400000000, -0.0003600900000000, 0.0014603400000000 ] - [ -0.0009299400000000, -0.0036388300000000, -0.0034561600000000 ] - [ 0.0003203500000000, -0.0000512700000000, -0.0001681600000000 ] - [ 0.0001642100000000, 0.0000139800000000, 0.0001770200000000 ] - [ 0.0079962100000000, 0.0006404400000000, -0.0114088100000000 ] - [ -0.0000992100000000, -0.0000994500000000, 0.0008302400000000 ] - [ 0.0000694500000000, -0.0003952300000000, 0.0005586500000000 ] - [ 0.0001016500000000, 0.0001583500000000, 0.0001135000000000 ] - [ -0.0006186200000000, 0.0026468000000000, -0.0051173300000000 ] - [ 0.0001187900000000, 0.0002262700000000, -0.0001086700000000 ] - [ -0.0002546400000000, -0.0001108900000000, 0.0025301600000000 ] - [ -0.0001729400000000, -0.0000392800000000, -0.0008815000000000 ] - [ -0.0002752000000000, 0.0005094100000000, 0.0000109700000000 ] - [ -0.0001487700000000, 0.0003001000000000, -0.0001769400000000 ] - [ -0.0001936100000000, 0.0006776500000000, 0.0021798600000000 ] - [ 0.0004596600000000, 0.0018590100000000, -0.0021086100000000 ] - [ -0.0000287000000000, 0.0016638100000000, 0.0002104100000000 ] - [ 0.0002819200000000, -0.0000546600000000, 0.0000038900000000 ] - [ -0.0000454000000000, -0.0000900500000000, 0.0020651800000000 ] - [ -0.0002671600000000, 0.0015748700000000, -0.0005061300000000 ] - [ -0.0007573500000000, 0.0020247000000000, -0.0035094100000000 ] - [ -0.0001775500000000, 0.0010706900000000, 0.0006219900000000 ] - [ 0.0004466900000000, 0.0011483300000000, 0.0005308900000000 ] - [ 0.0002881000000000, -0.0000776000000000, -0.0000307800000000 ] - [ 0.0004477300000000, 0.0007816000000000, -0.0021240800000000 ] - [ -0.0000558700000000, -0.0001858000000000, 0.0004603400000000 ] - [ 0.0005798800000000, 0.0005573700000000, 0.0006852800000000 ] - [ 0.0003630200000000, -0.0000551800000000, -0.0000187400000000 ] - [ 0.0409609400000000, 0.0052974800000000, -0.0528668100000000 ] - [ 0.0002660600000000, -0.0000269000000000, -0.0000753300000000 ] - [ 0.0000528200000000, 0.0007685500000000, 0.0014554800000000 ] - [ -0.0000252900000000, -0.0001752600000000, -0.0004684400000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0051667400000000, -0.0001962700000000, -0.0039203900000000 ] - [ -0.0003133000000000, -0.0003447300000000, 0.0005937700000000 ] - [ 0.0001795200000000, -0.0001171100000000, 0.0002699100000000 ] - [ 0.0002687900000000, 0.0001999400000000, -0.0002480800000000 ] - [ 0.0002687900000000, -0.0001999400000000, -0.0002480800000000 ] - [ 0.0001795200000000, 0.0001171100000000, 0.0002699100000000 ] - [ -0.0003133000000000, 0.0003447300000000, 0.0005937700000000 ] - [ 0.0051667400000000, 0.0001962700000000, -0.0039203900000000 ] - [ -0.0026099600000000, 0.0000000000000000, 0.0050838100000000 ] - [ 0.0096621700000000, 0.0000000000000000, 0.0013055600000000 ] - [ 0.0003369900000000, 0.0000000000000000, 0.0000834700000000 ] - [ 0.0003352000000000, 0.0000000000000000, -0.0002257300000000 ] - [ -0.0005950300000000, 0.0005309900000000, 0.0000618000000000 ] - [ 0.0003783000000000, -0.0000692700000000, 0.0000262200000000 ] - [ 0.0003916200000000, -0.0001823400000000, -0.0005012100000000 ] - [ 0.0001274200000000, -0.0000894500000000, 0.0000920000000000 ] - [ 0.0001274200000000, 0.0000894500000000, 0.0000920000000000 ] - [ 0.0003916200000000, 0.0001823400000000, -0.0005012100000000 ] - [ 0.0003783000000000, 0.0000692700000000, 0.0000262200000000 ] - [ -0.0005950300000000, -0.0005309900000000, 0.0000618000000000 ] - [ 0.0011404600000000, -0.0049781200000000, 0.0008001200000000 ] - [ 0.0000578500000000, -0.0000976600000000, -0.0002805300000000 ] - [ 0.0004173400000000, -0.0000165100000000, 0.0001470200000000 ] - [ 0.0005493700000000, 0.0000220900000000, -0.0002314100000000 ] - [ 0.0005493700000000, -0.0000220900000000, -0.0002314100000000 ] - [ 0.0004173400000000, 0.0000165100000000, 0.0001470200000000 ] - [ 0.0000578500000000, 0.0000976600000000, -0.0002805300000000 ] - [ 0.0011404600000000, 0.0049781200000000, 0.0008001200000000 ] - [ 0.0011534200000000, 0.0000060000000000, 0.0004300200000000 ] - [ -0.0035359000000000, 0.0026872800000000, 0.0016750800000000 ] - [ -0.0003239800000000, -0.0001482500000000, -0.0000970300000000 ] - [ -0.0000750600000000, 0.0000919300000000, 0.0003184300000000 ] - [ -0.0000750600000000, -0.0000919300000000, 0.0003184300000000 ] - [ -0.0003239800000000, 0.0001482500000000, -0.0000970300000000 ] - [ -0.0035359000000000, -0.0026872800000000, 0.0016750800000000 ] - [ 0.0011534200000000, -0.0000060000000000, 0.0004300200000000 ] - [ 0.0019568000000000, 0.0036366200000000, -0.0005644900000000 ] - [ 0.0002310200000000, 0.0001039800000000, 0.0005305500000000 ] - [ -0.0001673700000000, 0.0000625900000000, -0.0000349700000000 ] - [ -0.0002501200000000, 0.0004786700000000, 0.0001267800000000 ] - [ -0.0002501200000000, -0.0004786700000000, 0.0001267800000000 ] - [ -0.0001673700000000, -0.0000625900000000, -0.0000349700000000 ] - [ 0.0002310200000000, -0.0001039800000000, 0.0005305500000000 ] - [ 0.0019568000000000, -0.0036366200000000, -0.0005644900000000 ] - [ -0.0894316900000000, 0.0000000000000000, -0.0460373100000000 ] - [ -0.0001866800000000, 0.0000000000000000, 0.0004991000000000 ] - [ -0.0000571100000000, 0.0000000000000000, 0.0003660800000000 ] - [ -0.0000781600000000, 0.0000000000000000, -0.0003912800000000 ] - [ -0.0003085600000000, 0.0002506900000000, -0.0001126400000000 ] - [ -0.0005496700000000, 0.0003740200000000, -0.0003487700000000 ] - [ 0.0005669800000000, -0.0003503300000000, -0.0000552900000000 ] - [ -0.0004665500000000, 0.0017201800000000, -0.0003029500000000 ] - [ -0.0004665500000000, -0.0017201800000000, -0.0003029500000000 ] - [ 0.0005669800000000, 0.0003503300000000, -0.0000552900000000 ] - [ -0.0005496700000000, -0.0003740200000000, -0.0003487700000000 ] - [ -0.0003085600000000, -0.0002506900000000, -0.0001126400000000 ] - [ -0.0029329500000000, 0.0000000000000000, 0.0035846400000000 ] - [ 0.0003648300000000, 0.0000000000000000, -0.0034974700000000 ] - [ 0.0000954400000000, 0.0000000000000000, -0.0005142000000000 ] - [ -0.0000035700000000, 0.0000000000000000, 0.0004112000000000 ] - [ 0.0000034100000000, 0.0000000000000000, -0.0006692300000000 ] - [ 0.0344440700000000, 0.0000000000000000, 0.0358453500000000 ] - [ 0.0001891300000000, 0.0000000000000000, 0.0001966700000000 ] - [ 0.0000993000000000, 0.0000000000000000, -0.0002550200000000 ] - [ 0.0027814400000000, 0.0028265300000000, 0.0022140700000000 ] - [ -0.0001544000000000, 0.0001323500000000, -0.0002014100000000 ] - [ 0.0001281700000000, -0.0000724100000000, -0.0004524800000000 ] - [ 0.0000854200000000, 0.0000796300000000, 0.0004447400000000 ] - [ 0.0000854200000000, -0.0000796300000000, 0.0004447400000000 ] - [ 0.0001281700000000, 0.0000724100000000, -0.0004524800000000 ] - [ -0.0001544000000000, -0.0001323500000000, -0.0002014100000000 ] - [ 0.0027814400000000, -0.0028265300000000, 0.0022140700000000 ] - [ -0.0001498300000000, 0.0000000000000000, 0.0004570000000000 ] - [ -0.0000861700000000, 0.0000000000000000, -0.0003703400000000 ] - [ 0.0006590400000000, 0.0000000000000000, 0.0000272300000000 ] - [ 0.0297707400000000, 0.0000000000000000, 0.0041700900000000 ] - [ 0.0003409800000000, 0.0002137800000000, 0.0002505300000000 ] - [ 0.0002625500000000, -0.0001885900000000, -0.0000468600000000 ] - [ -0.0010094200000000, 0.0009690900000000, -0.0018707900000000 ] - [ 0.0043667900000000, -0.0007749400000000, 0.0002784500000000 ] - [ 0.0043667900000000, 0.0007749400000000, 0.0002784500000000 ] - [ -0.0010094200000000, -0.0009690900000000, -0.0018707900000000 ] - [ 0.0002625500000000, 0.0001885900000000, -0.0000468600000000 ] - [ 0.0003409800000000, -0.0002137800000000, 0.0002505300000000 ] - [ -0.0003473900000000, 0.0001132200000000, -0.0002301600000000 ] - [ -0.0001131000000000, -0.0000711000000000, 0.0002209500000000 ] - [ 0.0000851300000000, -0.0002120200000000, -0.0004903700000000 ] - [ -0.0026383900000000, -0.0001149600000000, 0.0014745800000000 ] - [ -0.0026383900000000, 0.0001149600000000, 0.0014745800000000 ] - [ 0.0000851300000000, 0.0002120200000000, -0.0004903700000000 ] - [ -0.0001131000000000, 0.0000711000000000, 0.0002209500000000 ] - [ -0.0003473900000000, -0.0001132200000000, -0.0002301600000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0055457200000000, 0.0005687500000000, 0.0042218300000000 ] - [ -0.0000676000000000, 0.0000021700000000, -0.0008751900000000 ] - [ 0.0001984900000000, -0.0002156600000000, 0.0000191600000000 ] - [ 0.0001099500000000, 0.0001352500000000, -0.0000376500000000 ] - [ 0.0001099500000000, -0.0001352500000000, -0.0000376500000000 ] - [ 0.0001984900000000, 0.0002156600000000, 0.0000191600000000 ] - [ -0.0000676000000000, -0.0000021700000000, -0.0008751900000000 ] - [ -0.0055457200000000, -0.0005687500000000, 0.0042218300000000 ] - [ 0.0019881400000000, 0.0000000000000000, -0.0047090800000000 ] - [ -0.0104549800000000, 0.0000000000000000, -0.0017587100000000 ] - [ 0.0003505800000000, 0.0000000000000000, 0.0002565500000000 ] - [ 0.0003515600000000, 0.0000000000000000, -0.0001151100000000 ] - [ 0.0004378200000000, -0.0001718100000000, 0.0000731900000000 ] - [ -0.0005520600000000, -0.0002864100000000, -0.0001643500000000 ] - [ -0.0002236500000000, -0.0001823500000000, 0.0006190400000000 ] - [ 0.0000304800000000, 0.0004434300000000, -0.0002127300000000 ] - [ 0.0000304800000000, -0.0004434300000000, -0.0002127300000000 ] - [ -0.0002236500000000, 0.0001823500000000, 0.0006190400000000 ] - [ -0.0005520600000000, 0.0002864100000000, -0.0001643500000000 ] - [ 0.0004378200000000, 0.0001718100000000, 0.0000731900000000 ] - [ -0.0018925400000000, 0.0054814200000000, -0.0005708900000000 ] - [ -0.0008456400000000, -0.0003734600000000, 0.0000724800000000 ] - [ 0.0003641300000000, -0.0004563400000000, 0.0000768200000000 ] - [ 0.0002352900000000, 0.0004498700000000, 0.0000037100000000 ] - [ 0.0002352900000000, -0.0004498700000000, 0.0000037100000000 ] - [ 0.0003641300000000, 0.0004563400000000, 0.0000768200000000 ] - [ -0.0008456400000000, 0.0003734600000000, 0.0000724800000000 ] - [ -0.0018925400000000, -0.0054814200000000, -0.0005708900000000 ] - [ -0.0008089700000000, 0.0003475000000000, -0.0006141900000000 ] - [ 0.0038397600000000, -0.0030312300000000, -0.0014945100000000 ] - [ -0.0000136800000000, -0.0002143600000000, -0.0000948500000000 ] - [ -0.0002625500000000, 0.0002709000000000, -0.0001255100000000 ] - [ -0.0002625500000000, -0.0002709000000000, -0.0001255100000000 ] - [ -0.0000136800000000, 0.0002143600000000, -0.0000948500000000 ] - [ 0.0038397600000000, 0.0030312300000000, -0.0014945100000000 ] - [ -0.0008089700000000, -0.0003475000000000, -0.0006141900000000 ] - [ -0.0016085000000000, -0.0036521400000000, 0.0003420300000000 ] - [ 0.0001492200000000, -0.0000974300000000, -0.0003177300000000 ] - [ -0.0002073000000000, -0.0000554400000000, -0.0001775300000000 ] - [ -0.0001242700000000, -0.0004769600000000, 0.0000884800000000 ] - [ -0.0001242700000000, 0.0004769600000000, 0.0000884800000000 ] - [ -0.0002073000000000, 0.0000554400000000, -0.0001775300000000 ] - [ 0.0001492200000000, 0.0000974300000000, -0.0003177300000000 ] - [ -0.0016085000000000, 0.0036521400000000, 0.0003420300000000 ] - [ 0.0903848300000000, 0.0000000000000000, 0.0460797200000000 ] - [ 0.0002198200000000, 0.0000000000000000, -0.0011490400000000 ] - [ 0.0000266700000000, 0.0000000000000000, 0.0002825200000000 ] - [ 0.0000470700000000, 0.0000000000000000, -0.0002581700000000 ] - [ -0.0004985200000000, -0.0008303400000000, 0.0005587600000000 ] - [ -0.0002544900000000, 0.0002014600000000, -0.0001001100000000 ] - [ 0.0002359700000000, 0.0009247400000000, 0.0005021000000000 ] - [ 0.0012720000000000, -0.0022757300000000, -0.0001465500000000 ] - [ 0.0012720000000000, 0.0022757300000000, -0.0001465500000000 ] - [ 0.0002359700000000, -0.0009247400000000, 0.0005021000000000 ] - [ -0.0002544900000000, -0.0002014600000000, -0.0001001100000000 ] - [ -0.0004985200000000, 0.0008303400000000, 0.0005587600000000 ] - [ 0.0027686800000000, 0.0000000000000000, -0.0043537100000000 ] - [ -0.0004639400000000, 0.0000000000000000, 0.0042357400000000 ] - [ 0.0000185000000000, 0.0000000000000000, -0.0002641200000000 ] - [ 0.0001160900000000, 0.0000000000000000, 0.0003629800000000 ] - [ -0.0002358900000000, 0.0000000000000000, 0.0009836600000000 ] - [ -0.0336502000000000, 0.0000000000000000, -0.0348875500000000 ] - [ 0.0000430300000000, 0.0000000000000000, 0.0001232600000000 ] - [ 0.0001300900000000, 0.0000000000000000, -0.0000661800000000 ] - [ -0.0030138600000000, -0.0026957100000000, -0.0027904800000000 ] - [ -0.0000374500000000, -0.0002063200000000, 0.0008065900000000 ] - [ 0.0000668000000000, -0.0000052000000000, -0.0001559100000000 ] - [ 0.0001119100000000, -0.0000020500000000, 0.0001618400000000 ] - [ 0.0001119100000000, 0.0000020500000000, 0.0001618400000000 ] - [ 0.0000668000000000, 0.0000052000000000, -0.0001559100000000 ] - [ -0.0000374500000000, 0.0002063200000000, 0.0008065900000000 ] - [ -0.0030138600000000, 0.0026957100000000, -0.0027904800000000 ] - [ -0.0000523900000000, 0.0000000000000000, 0.0003133500000000 ] - [ -0.0001156300000000, 0.0000000000000000, -0.0003972400000000 ] - [ -0.0004466300000000, 0.0000000000000000, 0.0007378000000000 ] - [ -0.0314175000000000, 0.0000000000000000, -0.0054471200000000 ] - [ 0.0002077400000000, 0.0003226300000000, -0.0000313800000000 ] - [ 0.0002857500000000, -0.0003474700000000, -0.0001712000000000 ] - [ 0.0004515800000000, -0.0015201700000000, 0.0021102700000000 ] - [ -0.0048706600000000, 0.0012386300000000, -0.0005929000000000 ] - [ -0.0048706600000000, -0.0012386300000000, -0.0005929000000000 ] - [ 0.0004515800000000, 0.0015201700000000, 0.0021102700000000 ] - [ 0.0002857500000000, 0.0003474700000000, -0.0001712000000000 ] - [ 0.0002077400000000, -0.0003226300000000, -0.0000313800000000 ] - [ 0.0001146200000000, 0.0001498500000000, -0.0005070300000000 ] - [ -0.0001170700000000, -0.0001900300000000, 0.0005148600000000 ] - [ 0.0001405100000000, -0.0000494300000000, -0.0002491100000000 ] - [ 0.0028885600000000, 0.0004013600000000, -0.0007261500000000 ] - [ 0.0028885600000000, -0.0004013600000000, -0.0007261500000000 ] - [ 0.0001405100000000, 0.0000494300000000, -0.0002491100000000 ] - [ -0.0001170700000000, 0.0001900300000000, 0.0005148600000000 ] - [ 0.0001146200000000, -0.0001498500000000, -0.0005070300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020674500000000, -0.0019904100000000, 0.0015159500000000 ] - [ -0.0003110200000000, -0.0010451500000000, 0.0001795400000000 ] - [ 0.0001121300000000, 0.0005149800000000, 0.0001569400000000 ] - [ 0.0001676000000000, 0.0013333200000000, 0.0000952500000000 ] - [ 0.0002108500000000, 0.0010002500000000, -0.0003830200000000 ] - [ 0.0002667000000000, 0.0008491000000000, 0.0001293000000000 ] - [ -0.0000655800000000, -0.0007203400000000, -0.0004749400000000 ] - [ 0.0016750800000000, -0.0022782600000000, -0.0012176100000000 ] - [ -0.0003444700000000, -0.0051557000000000, 0.0001953100000000 ] - [ -0.0003293600000000, -0.0052186900000000, -0.0001408700000000 ] - [ 0.0003431200000000, 0.0011155900000000, 0.0001703000000000 ] - [ 0.0003428000000000, 0.0009783000000000, -0.0001684200000000 ] - [ -0.0005928200000000, 0.0008454200000000, -0.0015199100000000 ] - [ -0.0010165400000000, 0.0009504800000000, 0.0000022100000000 ] - [ -0.0007998900000000, 0.0012392800000000, 0.0013807000000000 ] - [ 0.0002115700000000, 0.0005244300000000, -0.0004652600000000 ] - [ -0.0000560200000000, 0.0001661700000000, 0.0003433100000000 ] - [ 0.0009487600000000, 0.0015902800000000, -0.0012429900000000 ] - [ 0.0008663800000000, 0.0013020500000000, -0.0001151900000000 ] - [ 0.0004319500000000, 0.0004893000000000, 0.0016351400000000 ] - [ -0.0040363100000000, 0.0021637300000000, -0.0019384500000000 ] - [ -0.0010758500000000, -0.0001045800000000, 0.0024696100000000 ] - [ 0.0004226900000000, 0.0001244700000000, 0.0001410400000000 ] - [ 0.0006529000000000, 0.0010032400000000, -0.0005864700000000 ] - [ 0.0001308600000000, 0.0005285900000000, 0.0003647500000000 ] - [ 0.0003628400000000, 0.0006007400000000, 0.0000830500000000 ] - [ 0.0002978100000000, 0.0003715800000000, -0.0027191000000000 ] - [ 0.0032051200000000, 0.0016748400000000, 0.0021444200000000 ] - [ -0.0000593400000000, -0.0010848400000000, -0.0002376400000000 ] - [ 0.0013585400000000, -0.0020467400000000, 0.0022552200000000 ] - [ -0.0001262400000000, 0.0011946800000000, 0.0003225900000000 ] - [ -0.0003244400000000, 0.0013647700000000, -0.0002167000000000 ] - [ -0.0000131900000000, 0.0010012100000000, 0.0004066100000000 ] - [ -0.0002116100000000, 0.0015593500000000, -0.0005181600000000 ] - [ -0.0010031100000000, -0.0016497500000000, -0.0020715900000000 ] - [ 0.0003947800000000, -0.0014605600000000, 0.0000326700000000 ] - [ 0.0034809900000000, 0.0046039800000000, 0.0019004500000000 ] - [ 0.0005605400000000, -0.0001061600000000, 0.0002803500000000 ] - [ -0.0001934600000000, 0.0002329000000000, -0.0002861700000000 ] - [ 0.0000916000000000, 0.0018897800000000, 0.0001944500000000 ] - [ -0.0004704000000000, 0.0019048800000000, 0.0000178600000000 ] - [ -0.0001840800000000, 0.0002267300000000, 0.0000712400000000 ] - [ -0.0001862200000000, -0.0001172200000000, -0.0000703800000000 ] - [ -0.0030607400000000, 0.0045719800000000, -0.0020920000000000 ] - [ -0.0000578600000000, -0.0231238700000000, 0.0006387800000000 ] - [ 0.0000146900000000, -0.0010733100000000, -0.0003239100000000 ] - [ -0.0000138700000000, 0.0006525700000000, 0.0003239800000000 ] - [ -0.0000142700000000, 0.0011700700000000, -0.0003231200000000 ] - [ -0.0003850100000000, -0.0022563500000000, 0.0009669600000000 ] - [ -0.0003323200000000, -0.0010156000000000, -0.0010405600000000 ] - [ 0.0003913200000000, 0.0004228700000000, -0.0004398600000000 ] - [ 0.0006018300000000, 0.0000898400000000, 0.0013609800000000 ] - [ 0.0002032200000000, 0.0006890200000000, -0.0018159300000000 ] - [ 0.0004125400000000, -0.0001633700000000, 0.0008874100000000 ] - [ -0.0004754100000000, -0.0015943900000000, 0.0005954100000000 ] - [ -0.0004180200000000, -0.0016748700000000, -0.0005152400000000 ] - [ -0.0000528700000000, 0.0033164400000000, -0.0003774500000000 ] - [ -0.0000597200000000, 0.0013696100000000, 0.0004028400000000 ] - [ 0.0000576700000000, -0.0012258200000000, -0.0003874300000000 ] - [ 0.0000564900000000, -0.0015946900000000, 0.0003882300000000 ] - [ -0.0001158500000000, 0.0009223000000000, 0.0001615300000000 ] - [ -0.0002154400000000, 0.0073436900000000, -0.0002663100000000 ] - [ 0.0001167700000000, -0.0016186800000000, 0.0001605000000000 ] - [ 0.0001157800000000, -0.0008223600000000, -0.0001602100000000 ] - [ 0.0027345700000000, -0.0056193100000000, -0.0058041400000000 ] - [ 0.0000135000000000, 0.0002840100000000, 0.0001061000000000 ] - [ 0.0001752200000000, -0.0005741000000000, -0.0000335000000000 ] - [ 0.0002080800000000, -0.0019970700000000, 0.0001231900000000 ] - [ -0.0000180000000000, -0.0020772900000000, 0.0004863600000000 ] - [ 0.0000187600000000, -0.0005002200000000, -0.0005725600000000 ] - [ -0.0002072000000000, 0.0003660800000000, 0.0005078700000000 ] - [ -0.0029137900000000, -0.0057228000000000, 0.0051705700000000 ] - [ -0.0001017100000000, -0.0016221300000000, 0.0003826000000000 ] - [ -0.0001017700000000, -0.0008255200000000, -0.0003831100000000 ] - [ 0.0001007400000000, 0.0023509500000000, 0.0003856400000000 ] - [ 0.0001856900000000, 0.0069177700000000, -0.0003816800000000 ] - [ 0.0001580300000000, -0.0009109700000000, -0.0003351600000000 ] - [ 0.0002511900000000, -0.0011443100000000, 0.0001692000000000 ] - [ -0.0002600800000000, 0.0012918900000000, 0.0012266100000000 ] - [ 0.0005654600000000, 0.0068285300000000, -0.0026124200000000 ] - [ -0.0010411100000000, 0.0065346800000000, 0.0021653600000000 ] - [ -0.0002895300000000, 0.0018085300000000, -0.0010095200000000 ] - [ 0.0002980700000000, -0.0006056900000000, -0.0003892000000000 ] - [ 0.0003902000000000, -0.0014481000000000, 0.0005486100000000 ] - [ 0.0006440600000000, -0.0001241500000000, 0.0000316600000000 ] - [ -0.0002269100000000, -0.0002277600000000, 0.0005582800000000 ] - [ 0.0005980900000000, 0.0003344000000000, 0.0006059500000000 ] - [ 0.0011922200000000, 0.0009669200000000, 0.0007933800000000 ] - [ -0.0009740500000000, 0.0007241900000000, -0.0000802800000000 ] - [ -0.0003641400000000, 0.0005904300000000, -0.0013303800000000 ] - [ -0.0000033600000000, 0.0000347600000000, 0.0001800100000000 ] - [ -0.0008693900000000, -0.0003848100000000, -0.0007694200000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013443900000000, 0.0043470100000000, -0.0047158700000000 ] - [ -0.0004186100000000, -0.0005154800000000, 0.0019679400000000 ] - [ 0.0000502500000000, -0.0001488900000000, 0.0006140000000000 ] - [ 0.0001112900000000, 0.0000758300000000, -0.0007689300000000 ] - [ 0.0001112900000000, -0.0000758300000000, -0.0007689300000000 ] - [ 0.0000502500000000, 0.0001488900000000, 0.0006140000000000 ] - [ -0.0004186100000000, 0.0005154800000000, 0.0019679400000000 ] - [ 0.0013443900000000, -0.0043470100000000, -0.0047158700000000 ] - [ 0.0043697200000000, 0.0000000000000000, 0.0094044100000000 ] - [ -0.0049195500000000, 0.0000000000000000, 0.0041303100000000 ] - [ 0.0003031700000000, 0.0000000000000000, 0.0003290400000000 ] - [ 0.0003452100000000, 0.0000000000000000, 0.0000354200000000 ] - [ 0.0004272800000000, -0.0011379800000000, 0.0014901800000000 ] - [ -0.0019394600000000, 0.0005819900000000, -0.0023155300000000 ] - [ -0.0001515600000000, 0.0008779400000000, 0.0002921300000000 ] - [ 0.0000988500000000, -0.0003801200000000, 0.0008072900000000 ] - [ 0.0000988500000000, 0.0003801200000000, 0.0008072900000000 ] - [ -0.0001515600000000, -0.0008779400000000, 0.0002921300000000 ] - [ -0.0019394600000000, -0.0005819900000000, -0.0023155300000000 ] - [ 0.0004272800000000, 0.0011379800000000, 0.0014901800000000 ] - [ 0.0022499100000000, -0.0022328000000000, -0.0023326200000000 ] - [ -0.0006379400000000, 0.0008966200000000, 0.0026661300000000 ] - [ 0.0005511400000000, 0.0000666900000000, 0.0005662500000000 ] - [ 0.0003232200000000, -0.0001856500000000, -0.0003082200000000 ] - [ 0.0003232200000000, 0.0001856500000000, -0.0003082200000000 ] - [ 0.0005511400000000, -0.0000666900000000, 0.0005662500000000 ] - [ -0.0006379400000000, -0.0008966200000000, 0.0026661300000000 ] - [ 0.0022499100000000, 0.0022328000000000, -0.0023326200000000 ] - [ 0.0001914000000000, -0.0016096900000000, 0.0027314600000000 ] - [ -0.0008788400000000, 0.0036737900000000, 0.0046995300000000 ] - [ -0.0002230100000000, 0.0001272300000000, -0.0005269700000000 ] - [ -0.0001479400000000, -0.0001524800000000, 0.0000708500000000 ] - [ -0.0001479400000000, 0.0001524800000000, 0.0000708500000000 ] - [ -0.0002230100000000, -0.0001272300000000, -0.0005269700000000 ] - [ -0.0008788400000000, -0.0036737900000000, 0.0046995300000000 ] - [ 0.0001914000000000, 0.0016096900000000, 0.0027314600000000 ] - [ 0.0018850000000000, 0.0014234500000000, -0.0037251000000000 ] - [ 0.0008091600000000, 0.0003450900000000, 0.0015571700000000 ] - [ 0.0000457900000000, -0.0001065800000000, 0.0002881600000000 ] - [ -0.0001118700000000, -0.0009952300000000, -0.0005926300000000 ] - [ -0.0001118700000000, 0.0009952300000000, -0.0005926300000000 ] - [ 0.0000457900000000, 0.0001065800000000, 0.0002881600000000 ] - [ 0.0008091600000000, -0.0003450900000000, 0.0015571700000000 ] - [ 0.0018850000000000, -0.0014234500000000, -0.0037251000000000 ] - [ -0.0467205300000000, 0.0000000000000000, -0.0624226200000000 ] - [ -0.0008109200000000, 0.0000000000000000, 0.0026713800000000 ] - [ -0.0000568000000000, 0.0000000000000000, 0.0007119900000000 ] - [ -0.0000814300000000, 0.0000000000000000, -0.0005478600000000 ] - [ -0.0006389300000000, 0.0007516000000000, 0.0010422200000000 ] - [ -0.0001234700000000, -0.0011428300000000, -0.0005296200000000 ] - [ 0.0004568000000000, -0.0009151400000000, -0.0017938600000000 ] - [ -0.0001486300000000, 0.0027705800000000, -0.0005480600000000 ] - [ -0.0001486300000000, -0.0027705800000000, -0.0005480600000000 ] - [ 0.0004568000000000, 0.0009151400000000, -0.0017938600000000 ] - [ -0.0001234700000000, 0.0011428300000000, -0.0005296200000000 ] - [ -0.0006389300000000, -0.0007516000000000, 0.0010422200000000 ] - [ 0.0019652500000000, 0.0000000000000000, -0.0054956800000000 ] - [ 0.0001580600000000, 0.0000000000000000, -0.0046556000000000 ] - [ 0.0001239800000000, 0.0000000000000000, -0.0004385500000000 ] - [ 0.0000709700000000, 0.0000000000000000, 0.0007696400000000 ] - [ 0.0000888700000000, 0.0000000000000000, -0.0027781000000000 ] - [ 0.0310513700000000, 0.0000000000000000, 0.0417432100000000 ] - [ 0.0000971100000000, 0.0000000000000000, 0.0005822300000000 ] - [ 0.0000847100000000, 0.0000000000000000, -0.0003768900000000 ] - [ 0.0011188700000000, -0.0051485000000000, 0.0026735600000000 ] - [ 0.0000301900000000, 0.0000994700000000, -0.0017117400000000 ] - [ -0.0000038300000000, 0.0005351600000000, -0.0008354100000000 ] - [ -0.0000778300000000, -0.0002152200000000, 0.0011563100000000 ] - [ -0.0000778300000000, 0.0002152200000000, 0.0011563100000000 ] - [ -0.0000038300000000, -0.0005351600000000, -0.0008354100000000 ] - [ 0.0000301900000000, -0.0000994700000000, -0.0017117400000000 ] - [ 0.0011188700000000, 0.0051485000000000, 0.0026735600000000 ] - [ -0.0000577900000000, 0.0000000000000000, 0.0004334500000000 ] - [ -0.0000767300000000, 0.0000000000000000, -0.0006615500000000 ] - [ 0.0008449500000000, 0.0000000000000000, -0.0032881200000000 ] - [ 0.0069974400000000, 0.0000000000000000, 0.0080276500000000 ] - [ 0.0002234800000000, -0.0000636700000000, -0.0000348600000000 ] - [ 0.0003006100000000, -0.0000639200000000, -0.0005214000000000 ] - [ -0.0007897500000000, 0.0021193600000000, -0.0013366300000000 ] - [ 0.0002911600000000, -0.0020765400000000, 0.0038127500000000 ] - [ 0.0002911600000000, 0.0020765400000000, 0.0038127500000000 ] - [ -0.0007897500000000, -0.0021193600000000, -0.0013366300000000 ] - [ 0.0003006100000000, 0.0000639200000000, -0.0005214000000000 ] - [ 0.0002234800000000, 0.0000636700000000, -0.0000348600000000 ] - [ 0.0001514600000000, -0.0002191800000000, 0.0001556700000000 ] - [ -0.0002355800000000, 0.0001340400000000, -0.0001140600000000 ] - [ -0.0006196400000000, -0.0007920100000000, -0.0016758800000000 ] - [ -0.0004018800000000, 0.0017723800000000, 0.0037089300000000 ] - [ -0.0004018800000000, -0.0017723800000000, 0.0037089300000000 ] - [ -0.0006196400000000, 0.0007920100000000, -0.0016758800000000 ] - [ -0.0002355800000000, -0.0001340400000000, -0.0001140600000000 ] - [ 0.0001514600000000, 0.0002191800000000, 0.0001556700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016977000000000, -0.0039945400000000, 0.0049748900000000 ] - [ 0.0000413200000000, 0.0001825600000000, -0.0022598500000000 ] - [ 0.0003264500000000, -0.0001808600000000, -0.0003194400000000 ] - [ 0.0002654400000000, 0.0002567400000000, 0.0004765600000000 ] - [ 0.0002654400000000, -0.0002567400000000, 0.0004765600000000 ] - [ 0.0003264500000000, 0.0001808600000000, -0.0003194400000000 ] - [ 0.0000413200000000, -0.0001825600000000, -0.0022598500000000 ] - [ -0.0016977000000000, 0.0039945400000000, 0.0049748900000000 ] - [ -0.0051130600000000, 0.0000000000000000, -0.0091480600000000 ] - [ 0.0042882500000000, 0.0000000000000000, -0.0044364800000000 ] - [ 0.0003833700000000, 0.0000000000000000, 0.0000096100000000 ] - [ 0.0003408300000000, 0.0000000000000000, -0.0003780800000000 ] - [ -0.0005924000000000, 0.0015030900000000, -0.0013606800000000 ] - [ 0.0017902900000000, -0.0009489800000000, 0.0021905000000000 ] - [ 0.0003147900000000, -0.0012420600000000, -0.0001691100000000 ] - [ 0.0000599500000000, 0.0007377800000000, -0.0009368400000000 ] - [ 0.0000599500000000, -0.0007377800000000, -0.0009368400000000 ] - [ 0.0003147900000000, 0.0012420600000000, -0.0001691100000000 ] - [ 0.0017902900000000, 0.0009489800000000, 0.0021905000000000 ] - [ -0.0005924000000000, -0.0015030900000000, -0.0013606800000000 ] - [ -0.0030201700000000, 0.0026757900000000, 0.0025732500000000 ] - [ -0.0001400000000000, -0.0013706600000000, -0.0028913900000000 ] - [ 0.0002263700000000, -0.0005413200000000, -0.0003457000000000 ] - [ 0.0004568800000000, 0.0006614000000000, 0.0000827200000000 ] - [ 0.0004568800000000, -0.0006614000000000, 0.0000827200000000 ] - [ 0.0002263700000000, 0.0005413200000000, -0.0003457000000000 ] - [ -0.0001400000000000, 0.0013706600000000, -0.0028913900000000 ] - [ -0.0030201700000000, -0.0026757900000000, 0.0025732500000000 ] - [ 0.0001456400000000, 0.0019613900000000, -0.0029197200000000 ] - [ 0.0012224600000000, -0.0040151300000000, -0.0044959700000000 ] - [ -0.0001152200000000, -0.0004890200000000, 0.0003378000000000 ] - [ -0.0001890400000000, 0.0005143300000000, 0.0001239000000000 ] - [ -0.0001890400000000, -0.0005143300000000, 0.0001239000000000 ] - [ -0.0001152200000000, 0.0004890200000000, 0.0003378000000000 ] - [ 0.0012224600000000, 0.0040151300000000, -0.0044959700000000 ] - [ 0.0001456400000000, -0.0019613900000000, -0.0029197200000000 ] - [ -0.0015293100000000, -0.0014566900000000, 0.0035070900000000 ] - [ -0.0004383800000000, -0.0003407200000000, -0.0013473800000000 ] - [ -0.0004163700000000, 0.0001130900000000, -0.0004985600000000 ] - [ -0.0002581300000000, 0.0009940200000000, 0.0008030800000000 ] - [ -0.0002581300000000, -0.0009940200000000, 0.0008030800000000 ] - [ -0.0004163700000000, -0.0001130900000000, -0.0004985600000000 ] - [ -0.0004383800000000, 0.0003407200000000, -0.0013473800000000 ] - [ -0.0015293100000000, 0.0014566900000000, 0.0035070900000000 ] - [ 0.0453869600000000, 0.0000000000000000, 0.0626328400000000 ] - [ 0.0008354600000000, 0.0000000000000000, -0.0033194300000000 ] - [ 0.0000280700000000, 0.0000000000000000, -0.0000639700000000 ] - [ 0.0000530000000000, 0.0000000000000000, -0.0001019800000000 ] - [ -0.0001579100000000, -0.0013334600000000, -0.0006065800000000 ] - [ -0.0006781700000000, 0.0017342000000000, 0.0000872900000000 ] - [ 0.0003418500000000, 0.0014936300000000, 0.0022371400000000 ] - [ 0.0009447500000000, -0.0033406600000000, 0.0001124100000000 ] - [ 0.0009447500000000, 0.0033406600000000, 0.0001124100000000 ] - [ 0.0003418500000000, -0.0014936300000000, 0.0022371400000000 ] - [ -0.0006781700000000, -0.0017342000000000, 0.0000872900000000 ] - [ -0.0001579100000000, 0.0013334600000000, -0.0006065800000000 ] - [ -0.0020764200000000, 0.0000000000000000, 0.0047151200000000 ] - [ -0.0002683700000000, 0.0000000000000000, 0.0054224700000000 ] - [ -0.0000105300000000, 0.0000000000000000, -0.0003387900000000 ] - [ 0.0000412300000000, 0.0000000000000000, 0.0000018600000000 ] - [ -0.0003169300000000, 0.0000000000000000, 0.0030972100000000 ] - [ -0.0300305800000000, 0.0000000000000000, -0.0411181000000000 ] - [ 0.0001315900000000, 0.0000000000000000, -0.0002647000000000 ] - [ 0.0001420600000000, 0.0000000000000000, 0.0000571700000000 ] - [ -0.0013161200000000, 0.0052702900000000, -0.0032251300000000 ] - [ -0.0002166400000000, -0.0001834700000000, 0.0023162400000000 ] - [ 0.0001922600000000, -0.0006240300000000, 0.0002303900000000 ] - [ 0.0002646200000000, 0.0002985200000000, -0.0005562900000000 ] - [ 0.0002646200000000, -0.0002985200000000, -0.0005562900000000 ] - [ 0.0001922600000000, 0.0006240300000000, 0.0002303900000000 ] - [ -0.0002166400000000, 0.0001834700000000, 0.0023162400000000 ] - [ -0.0013161200000000, -0.0052702900000000, -0.0032251300000000 ] - [ -0.0001404200000000, 0.0000000000000000, 0.0003350800000000 ] - [ -0.0001206300000000, 0.0000000000000000, -0.0001035600000000 ] - [ -0.0006546900000000, 0.0000000000000000, 0.0040579700000000 ] - [ -0.0069038900000000, 0.0000000000000000, -0.0087700000000000 ] - [ 0.0003236600000000, 0.0005869800000000, 0.0002519100000000 ] - [ 0.0002461900000000, -0.0004586700000000, 0.0003089600000000 ] - [ 0.0002492400000000, -0.0026447100000000, 0.0015396800000000 ] - [ -0.0007528700000000, 0.0023333300000000, -0.0042881800000000 ] - [ -0.0007528700000000, -0.0023333300000000, -0.0042881800000000 ] - [ 0.0002492400000000, 0.0026447100000000, 0.0015396800000000 ] - [ 0.0002461900000000, 0.0004586700000000, 0.0003089600000000 ] - [ 0.0003236600000000, -0.0005869800000000, 0.0002519100000000 ] - [ -0.0003841000000000, 0.0004837300000000, -0.0008967100000000 ] - [ 0.0000049300000000, -0.0003986600000000, 0.0008544200000000 ] - [ 0.0008501400000000, 0.0005273500000000, 0.0009376900000000 ] - [ 0.0006376400000000, -0.0015087200000000, -0.0029714900000000 ] - [ 0.0006376400000000, 0.0015087200000000, -0.0029714900000000 ] - [ 0.0008501400000000, -0.0005273500000000, 0.0009376900000000 ] - [ 0.0000049300000000, 0.0003986600000000, 0.0008544200000000 ] - [ -0.0003841000000000, -0.0004837300000000, -0.0008967100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011066800000000, -0.0016045400000000, 0.0028011900000000 ] - [ -0.0001929100000000, -0.0000719400000000, -0.0001238200000000 ] - [ -0.0001666000000000, -0.0000292400000000, 0.0009090900000000 ] - [ 0.0005535900000000, 0.0002527200000000, -0.0000791700000000 ] - [ 0.0041471400000000, -0.0023577400000000, -0.0002805900000000 ] - [ -0.0000085900000000, 0.0000078700000000, 0.0003896000000000 ] - [ -0.0007851000000000, 0.0013539700000000, 0.0014612800000000 ] - [ -0.0001975100000000, -0.0004585500000000, 0.0000744600000000 ] - [ -0.0000187400000000, 0.0000458200000000, -0.0001134700000000 ] - [ -0.0008593500000000, -0.0002163300000000, -0.0005485900000000 ] - [ 0.0005215300000000, 0.0000854500000000, 0.0002665500000000 ] - [ 0.0001683300000000, -0.0000975800000000, -0.0000672700000000 ] - [ 0.0034784900000000, -0.0006590500000000, -0.0009057000000000 ] - [ -0.0001193000000000, -0.0003109500000000, -0.0001608200000000 ] - [ 0.0008920600000000, -0.0012223800000000, 0.0013378700000000 ] - [ 0.0000561700000000, 0.0001048800000000, 0.0000141700000000 ] - [ -0.0000418500000000, 0.0000168800000000, 0.0002749300000000 ] - [ 0.0000906500000000, 0.0001228700000000, 0.0000902800000000 ] - [ 0.0039266700000000, 0.0002269700000000, 0.0016632100000000 ] - [ -0.0000588100000000, -0.0002304200000000, 0.0000409000000000 ] - [ 0.0029531400000000, 0.0022307600000000, -0.0000684500000000 ] - [ -0.0004114300000000, -0.0002285100000000, -0.0001469300000000 ] - [ 0.0005782100000000, -0.0001696300000000, 0.0000287600000000 ] - [ 0.0003642100000000, 0.0003159400000000, -0.0001771300000000 ] - [ 0.0009678300000000, -0.0003212800000000, -0.0007560200000000 ] - [ 0.0004187400000000, 0.0002066200000000, 0.0001085800000000 ] - [ -0.0013912800000000, 0.0005283000000000, -0.0005871900000000 ] - [ -0.0003837600000000, -0.0003909500000000, 0.0000857200000000 ] - [ 0.0000425500000000, 0.0001042000000000, 0.0001012700000000 ] - [ 0.0001088700000000, -0.0001722700000000, 0.0003352000000000 ] - [ -0.0007354300000000, -0.0011525300000000, -0.0001035400000000 ] - [ 0.0065097500000000, -0.0010201300000000, 0.0015333200000000 ] - [ 0.0002992900000000, 0.0002365100000000, -0.0000335700000000 ] - [ -0.0020726100000000, -0.0029324300000000, 0.0004759800000000 ] - [ 0.0002726600000000, 0.0000692300000000, 0.0002687700000000 ] - [ 0.0000847000000000, -0.0001703000000000, 0.0004216900000000 ] - [ -0.0008367000000000, 0.0005711100000000, -0.0002058200000000 ] - [ 0.0001967300000000, -0.0000051400000000, 0.0001129700000000 ] - [ -0.0003081100000000, -0.0002403300000000, -0.0001382700000000 ] - [ -0.0001429700000000, -0.0002543900000000, 0.0000324500000000 ] - [ 0.0026834400000000, 0.0004390400000000, -0.0001565200000000 ] - [ -0.0001889000000000, 0.0000218000000000, -0.0000821400000000 ] - [ 0.0003469600000000, -0.0000721400000000, 0.0002055100000000 ] - [ 0.0001765600000000, -0.0001096100000000, -0.0001150900000000 ] - [ 0.0001132000000000, 0.0000143600000000, 0.0000878200000000 ] - [ -0.0001328700000000, -0.0000722600000000, -0.0006050000000000 ] - [ 0.0001508500000000, -0.0000100000000000, 0.0002692800000000 ] - [ -0.0008814700000000, -0.0002013300000000, -0.0008758800000000 ] - [ -0.0527876200000000, 0.0007300600000000, 0.0007268500000000 ] - [ -0.0002907000000000, 0.0003970100000000, -0.0002931500000000 ] - [ 0.0000749900000000, 0.0004985200000000, -0.0004891700000000 ] - [ 0.0004131000000000, -0.0001647700000000, -0.0002859100000000 ] - [ 0.0009697400000000, -0.0000977100000000, -0.0009624200000000 ] - [ 0.0003819400000000, -0.0002295200000000, 0.0001450600000000 ] - [ 0.0147955600000000, -0.0013990400000000, 0.0003638900000000 ] - [ -0.0005597500000000, 0.0005142200000000, 0.0002098300000000 ] - [ -0.0002497500000000, 0.0004012400000000, -0.0008275000000000 ] - [ 0.0000538300000000, -0.0001904300000000, 0.0000341200000000 ] - [ -0.0021645300000000, 0.0034222500000000, -0.0031259700000000 ] - [ 0.0046892400000000, -0.0048374300000000, 0.0002545000000000 ] - [ -0.0003623000000000, -0.0001976300000000, 0.0000597600000000 ] - [ 0.0003315100000000, 0.0003947900000000, -0.0003062900000000 ] - [ -0.0017628900000000, 0.0038008900000000, 0.0027293500000000 ] - [ 0.0008777800000000, -0.0005631600000000, 0.0005215800000000 ] - [ -0.0010675500000000, -0.0019575500000000, 0.0017018700000000 ] - [ -0.0000709800000000, -0.0000237100000000, 0.0002683200000000 ] - [ -0.0029301300000000, 0.0009658700000000, 0.0003905200000000 ] - [ 0.0002930700000000, 0.0001656300000000, 0.0003871300000000 ] - [ 0.0175595200000000, -0.0010137000000000, 0.0015949000000000 ] - [ -0.0000058400000000, 0.0001600500000000, -0.0003452600000000 ] - [ 0.0002812700000000, 0.0000817500000000, 0.0000757900000000 ] - [ -0.0001091400000000, 0.0001286400000000, -0.0003074700000000 ] - [ 0.0003582500000000, -0.0004524700000000, -0.0001005400000000 ] - [ -0.0001532800000000, 0.0000784700000000, -0.0004911800000000 ] - [ 0.0003390800000000, -0.0004619200000000, 0.0006550900000000 ] - [ -0.0003570300000000, 0.0008703900000000, 0.0000105600000000 ] - [ 0.0000941600000000, 0.0003006300000000, 0.0004356100000000 ] - [ 0.0002768400000000, -0.0002839400000000, -0.0001542200000000 ] - [ -0.0014916000000000, 0.0020514900000000, 0.0023374900000000 ] - [ -0.0002615600000000, 0.0003828700000000, 0.0000067600000000 ] - [ 0.0026824000000000, -0.0033580700000000, 0.0006812700000000 ] - [ -0.0002954200000000, 0.0003451700000000, 0.0002243900000000 ] - [ 0.0004291100000000, 0.0002207000000000, -0.0003459700000000 ] - [ 0.0002688200000000, -0.0001957200000000, 0.0002160500000000 ] - [ -0.0032017800000000, 0.0020460400000000, -0.0037262700000000 ] - [ -0.0001414800000000, -0.0000781900000000, 0.0002799600000000 ] - [ 0.0013242300000000, -0.0017421500000000, -0.0023285300000000 ] - [ 0.0001704300000000, 0.0001803200000000, 0.0004944000000000 ] - [ 0.0004650000000000, 0.0070214200000000, -0.0072295100000000 ] - [ 0.0001080700000000, 0.0001206800000000, -0.0003436000000000 ] - [ -0.0000948400000000, -0.0001023000000000, 0.0001453400000000 ] - [ -0.0001544800000000, -0.0001030200000000, -0.0003472700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015009300000000, 0.0019597000000000, -0.0025408800000000 ] - [ -0.0001864500000000, -0.0002648900000000, -0.0001625800000000 ] - [ 0.0005499200000000, -0.0003075700000000, -0.0006067400000000 ] - [ -0.0001759700000000, 0.0000767000000000, -0.0002140500000000 ] - [ -0.0038210500000000, 0.0021155600000000, 0.0001104900000000 ] - [ 0.0003842400000000, 0.0003222900000000, -0.0000961800000000 ] - [ 0.0004144700000000, -0.0010321700000000, -0.0017655900000000 ] - [ -0.0001818700000000, 0.0001236500000000, 0.0002134900000000 ] - [ -0.0006675900000000, -0.0000505300000000, 0.0004525000000000 ] - [ 0.0001693900000000, 0.0002178000000000, 0.0002085400000000 ] - [ 0.0001652500000000, -0.0000846000000000, 0.0000735200000000 ] - [ 0.0005178200000000, 0.0000984100000000, -0.0002703600000000 ] - [ -0.0035597500000000, 0.0009502000000000, 0.0009088600000000 ] - [ -0.0000394100000000, -0.0000474200000000, 0.0000351500000000 ] - [ -0.0007396900000000, 0.0008695300000000, -0.0012157300000000 ] - [ 0.0001019900000000, 0.0002514600000000, -0.0001398500000000 ] - [ 0.0001974500000000, -0.0003664700000000, -0.0003887600000000 ] - [ 0.0000709100000000, 0.0002385300000000, 0.0000419700000000 ] - [ -0.0045787000000000, -0.0001191400000000, -0.0017931100000000 ] - [ -0.0001010600000000, -0.0001300500000000, 0.0000879600000000 ] - [ -0.0037180300000000, -0.0018091100000000, 0.0003191500000000 ] - [ -0.0003691700000000, -0.0002461500000000, -0.0000778200000000 ] - [ 0.0002076700000000, -0.0003025800000000, 0.0001944000000000 ] - [ 0.0004117500000000, 0.0001566800000000, -0.0000459000000000 ] - [ -0.0001949400000000, -0.0001557900000000, 0.0005114700000000 ] - [ 0.0003643000000000, 0.0002665300000000, 0.0001151900000000 ] - [ 0.0006154900000000, -0.0000378900000000, 0.0003709800000000 ] - [ -0.0004012100000000, -0.0000841000000000, 0.0001415700000000 ] - [ 0.0002958900000000, 0.0002560600000000, -0.0002959500000000 ] - [ 0.0002314700000000, -0.0001937500000000, -0.0001407100000000 ] - [ 0.0003976100000000, 0.0007818400000000, -0.0000894400000000 ] - [ -0.0069177000000000, 0.0015238800000000, -0.0014956700000000 ] - [ -0.0006371600000000, -0.0006017300000000, 0.0002282500000000 ] - [ 0.0020427100000000, 0.0034591500000000, -0.0007031800000000 ] - [ 0.0000634800000000, 0.0002938000000000, -0.0000766300000000 ] - [ 0.0002521800000000, -0.0001904500000000, -0.0006179500000000 ] - [ 0.0012010300000000, -0.0005603200000000, -0.0000079100000000 ] - [ 0.0001818500000000, 0.0000124500000000, 0.0000997900000000 ] - [ -0.0000738000000000, 0.0002471500000000, -0.0000618000000000 ] - [ -0.0002268400000000, 0.0002448300000000, 0.0001768300000000 ] - [ -0.0030155000000000, -0.0004150000000000, 0.0004748800000000 ] - [ -0.0001875500000000, -0.0000296700000000, -0.0001311300000000 ] - [ 0.0000278400000000, 0.0000633900000000, 0.0000041000000000 ] - [ 0.0002031200000000, 0.0001170800000000, -0.0000980100000000 ] - [ -0.0000767700000000, -0.0000184300000000, 0.0005632900000000 ] - [ 0.0001623500000000, 0.0000704200000000, -0.0000439400000000 ] - [ -0.0001812500000000, 0.0000112700000000, 0.0003790000000000 ] - [ 0.0008558200000000, 0.0001966600000000, 0.0002232200000000 ] - [ 0.0521918900000000, -0.0013262100000000, -0.0002655600000000 ] - [ -0.0005148000000000, 0.0001826900000000, -0.0001556500000000 ] - [ 0.0007296800000000, 0.0000748100000000, 0.0009373100000000 ] - [ 0.0003937200000000, -0.0004111600000000, -0.0001610600000000 ] - [ -0.0001663500000000, 0.0006748900000000, 0.0005196800000000 ] - [ 0.0004217700000000, -0.0003462400000000, 0.0003013800000000 ] - [ -0.0156138300000000, 0.0008041800000000, -0.0009626100000000 ] - [ -0.0002456500000000, 0.0000655400000000, 0.0002380000000000 ] - [ 0.0001398100000000, -0.0004028000000000, 0.0000541300000000 ] - [ -0.0001671500000000, 0.0001929300000000, 0.0007423700000000 ] - [ 0.0022503200000000, -0.0034280000000000, 0.0023467600000000 ] - [ -0.0045665100000000, 0.0048941200000000, 0.0005200700000000 ] - [ 0.0001302100000000, 0.0002001100000000, 0.0002616900000000 ] - [ -0.0005689400000000, -0.0003971200000000, -0.0000133700000000 ] - [ 0.0019598100000000, -0.0038171500000000, -0.0024110200000000 ] - [ -0.0006395200000000, 0.0005644500000000, -0.0008465900000000 ] - [ 0.0008575000000000, 0.0020428600000000, -0.0023340200000000 ] - [ -0.0001220000000000, -0.0000507500000000, 0.0003403900000000 ] - [ 0.0031330100000000, -0.0010489900000000, -0.0009445500000000 ] - [ -0.0000987100000000, -0.0000880200000000, 0.0002215800000000 ] - [ -0.0173785400000000, 0.0009507600000000, -0.0008259900000000 ] - [ 0.0001991600000000, -0.0000817000000000, -0.0002635800000000 ] - [ -0.0004749600000000, -0.0000111300000000, 0.0005314600000000 ] - [ -0.0000845500000000, -0.0002034000000000, -0.0003008300000000 ] - [ -0.0005594900000000, 0.0004538700000000, 0.0008735300000000 ] - [ -0.0000520300000000, -0.0000791200000000, -0.0002788000000000 ] - [ -0.0001355400000000, 0.0004640600000000, 0.0001134700000000 ] - [ 0.0005675200000000, -0.0008588600000000, -0.0007861900000000 ] - [ 0.0004506100000000, 0.0002350600000000, -0.0002179900000000 ] - [ 0.0002719400000000, -0.0002553400000000, -0.0000647500000000 ] - [ 0.0009709700000000, -0.0025759400000000, -0.0021086200000000 ] - [ -0.0002889000000000, 0.0001580300000000, -0.0002257300000000 ] - [ -0.0032571000000000, 0.0027958900000000, -0.0008959200000000 ] - [ -0.0002525600000000, 0.0001953300000000, -0.0000064500000000 ] - [ 0.0001215000000000, 0.0003195600000000, 0.0001255800000000 ] - [ 0.0002791500000000, -0.0003434300000000, 0.0000027900000000 ] - [ 0.0030094600000000, -0.0017846300000000, 0.0029676400000000 ] - [ -0.0000874300000000, -0.0001823300000000, 0.0004558000000000 ] - [ -0.0011131200000000, 0.0014863300000000, 0.0015982300000000 ] - [ 0.0000584000000000, 0.0000805000000000, 0.0002416400000000 ] - [ -0.0001910900000000, -0.0073624500000000, 0.0080132700000000 ] - [ 0.0001219000000000, 0.0001388500000000, -0.0003908200000000 ] - [ -0.0001377600000000, 0.0003609500000000, 0.0005869000000000 ] - [ -0.0000754300000000, -0.0001581600000000, -0.0003882800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001254400000000, -0.0012314200000000, 0.0025795700000000 ] - [ -0.0003567300000000, -0.0012561400000000, 0.0000147600000000 ] - [ -0.0003286500000000, 0.0016645900000000, 0.0016810900000000 ] - [ 0.0002756300000000, -0.0019556900000000, -0.0014078900000000 ] - [ -0.0021666400000000, 0.0071059300000000, -0.0012420400000000 ] - [ -0.0000289500000000, -0.0011695400000000, 0.0013819300000000 ] - [ 0.0003659800000000, -0.0010087800000000, -0.0021067200000000 ] - [ -0.0003482900000000, -0.0016933100000000, 0.0001611600000000 ] - [ -0.0000381600000000, -0.0026552100000000, -0.0006426800000000 ] - [ -0.0002528200000000, -0.0027614000000000, -0.0007571500000000 ] - [ 0.0002102700000000, 0.0001702300000000, -0.0003282100000000 ] - [ 0.0003843800000000, 0.0002337800000000, -0.0006864600000000 ] - [ -0.0005312500000000, 0.0070643100000000, 0.0013278800000000 ] - [ -0.0001489000000000, -0.0018259100000000, -0.0004465400000000 ] - [ -0.0010875800000000, 0.0033606000000000, -0.0018097400000000 ] - [ -0.0001177300000000, -0.0009209700000000, 0.0003324900000000 ] - [ -0.0002082800000000, 0.0013778200000000, 0.0004622400000000 ] - [ -0.0001795400000000, -0.0011021000000000, -0.0005966500000000 ] - [ 0.0009467600000000, 0.0055518600000000, 0.0005182300000000 ] - [ -0.0001038800000000, -0.0016858700000000, 0.0004083600000000 ] - [ -0.0022353800000000, 0.0136986600000000, -0.0011150600000000 ] - [ -0.0005473100000000, -0.0014743600000000, -0.0003590000000000 ] - [ 0.0002370800000000, 0.0004401000000000, 0.0002706000000000 ] - [ 0.0004443000000000, -0.0005459100000000, -0.0003712300000000 ] - [ 0.0005482100000000, 0.0009267100000000, -0.0006120000000000 ] - [ 0.0003916900000000, -0.0002497800000000, 0.0001650000000000 ] - [ -0.0005850600000000, 0.0014365500000000, -0.0012148900000000 ] - [ -0.0004810100000000, -0.0019813000000000, 0.0002551700000000 ] - [ 0.0000281500000000, -0.0009764600000000, -0.0000200500000000 ] - [ 0.0004383000000000, -0.0004716800000000, 0.0014113400000000 ] - [ -0.0002663500000000, -0.0033964700000000, -0.0000217200000000 ] - [ 0.0001183400000000, 0.0079008100000000, 0.0021154200000000 ] - [ -0.0000746500000000, -0.0030844300000000, 0.0010600800000000 ] - [ -0.0038104700000000, 0.0037367400000000, 0.0000756200000000 ] - [ 0.0000390400000000, -0.0010909600000000, 0.0003203400000000 ] - [ 0.0002569500000000, 0.0000483700000000, 0.0000409900000000 ] - [ -0.0032412300000000, 0.0020854400000000, 0.0028858600000000 ] - [ 0.0001253800000000, -0.0009101000000000, -0.0001421700000000 ] - [ 0.0000765000000000, 0.0012737200000000, 0.0003960400000000 ] - [ -0.0001228300000000, -0.0013410000000000, -0.0002259300000000 ] - [ 0.0004344500000000, 0.0059560000000000, 0.0009560300000000 ] - [ -0.0001508800000000, -0.0008057500000000, 0.0001198800000000 ] - [ -0.0002527400000000, 0.0013241300000000, -0.0011992500000000 ] - [ 0.0000662500000000, -0.0011848600000000, 0.0001411700000000 ] - [ 0.0005543900000000, -0.0019611900000000, 0.0013613000000000 ] - [ -0.0000702100000000, -0.0013020700000000, -0.0017525600000000 ] - [ -0.0006504200000000, 0.0001323800000000, 0.0015242000000000 ] - [ -0.0020258100000000, 0.0003974400000000, -0.0033894000000000 ] - [ 0.0007627500000000, -0.0695040200000000, 0.0007843900000000 ] - [ -0.0005091800000000, 0.0025871200000000, -0.0006780300000000 ] - [ 0.0006137500000000, -0.0015538400000000, 0.0007472500000000 ] - [ 0.0002791700000000, 0.0013286500000000, -0.0003131000000000 ] - [ 0.0000171300000000, -0.0020189500000000, -0.0019290300000000 ] - [ 0.0003432600000000, 0.0011387500000000, 0.0003033200000000 ] - [ -0.0015074000000000, -0.0092468200000000, -0.0003767400000000 ] - [ -0.0006268900000000, 0.0029143800000000, 0.0003451500000000 ] - [ -0.0001364200000000, 0.0011415600000000, -0.0012154900000000 ] - [ -0.0001708100000000, 0.0007749300000000, 0.0004044200000000 ] - [ 0.0032578200000000, 0.0083225600000000, -0.0067517700000000 ] - [ -0.0043815800000000, 0.0076137300000000, 0.0011741600000000 ] - [ -0.0002187900000000, 0.0006758600000000, 0.0006803500000000 ] - [ -0.0000865800000000, 0.0015496500000000, -0.0011610300000000 ] - [ 0.0047843500000000, 0.0091850200000000, 0.0076125800000000 ] - [ -0.0005352200000000, 0.0009267800000000, -0.0025435600000000 ] - [ -0.0013419000000000, -0.0002450500000000, -0.0074394800000000 ] - [ 0.0000730500000000, 0.0013045600000000, 0.0004451000000000 ] - [ 0.0015971400000000, -0.0056111100000000, -0.0031101500000000 ] - [ 0.0004368900000000, 0.0022092200000000, 0.0007938700000000 ] - [ 0.0005392800000000, -0.0080843600000000, 0.0021254300000000 ] - [ 0.0003010800000000, 0.0016563900000000, -0.0009208300000000 ] - [ -0.0001348300000000, -0.0013110100000000, 0.0011309300000000 ] - [ 0.0000820100000000, 0.0016961300000000, -0.0005555600000000 ] - [ 0.0001375100000000, 0.0003126200000000, 0.0020494200000000 ] - [ 0.0001822600000000, -0.0002315200000000, -0.0007110600000000 ] - [ 0.0001760900000000, 0.0013429700000000, 0.0012551900000000 ] - [ 0.0002802400000000, 0.0041215700000000, -0.0009277900000000 ] - [ 0.0002172500000000, -0.0009578200000000, 0.0008518600000000 ] - [ 0.0002476100000000, 0.0003594600000000, -0.0000886200000000 ] - [ 0.0025243500000000, 0.0064903000000000, 0.0060770200000000 ] - [ -0.0003083000000000, 0.0024452000000000, -0.0001317000000000 ] - [ -0.0045403900000000, 0.0054422500000000, 0.0011614900000000 ] - [ -0.0002619500000000, 0.0023038200000000, 0.0005357100000000 ] - [ 0.0001618200000000, -0.0006832400000000, -0.0000102000000000 ] - [ 0.0001434600000000, 0.0005972100000000, 0.0007947100000000 ] - [ 0.0011910300000000, -0.0032301600000000, 0.0046664000000000 ] - [ 0.0000687200000000, 0.0002700000000000, -0.0003900000000000 ] - [ -0.0004699300000000, 0.0022160500000000, 0.0017497300000000 ] - [ 0.0007056900000000, 0.0004333000000000, 0.0010235000000000 ] - [ 0.0098940800000000, 0.0051626100000000, -0.0083973000000000 ] - [ 0.0005131700000000, 0.0003370100000000, -0.0008541400000000 ] - [ 0.0001598400000000, -0.0003773800000000, -0.0004881600000000 ] - [ 0.0001345200000000, 0.0003520700000000, 0.0007623500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002469700000000, 0.0015626700000000, -0.0022879400000000 ] - [ -0.0000196200000000, 0.0009250500000000, -0.0003082400000000 ] - [ 0.0007034800000000, -0.0019885500000000, -0.0013873700000000 ] - [ 0.0001034800000000, 0.0022852600000000, 0.0011088500000000 ] - [ 0.0024001200000000, -0.0072946000000000, 0.0011573200000000 ] - [ 0.0003997100000000, 0.0015013700000000, -0.0010788800000000 ] - [ -0.0007362200000000, 0.0013177800000000, 0.0017946300000000 ] - [ -0.0000278200000000, 0.0013665200000000, 0.0001305700000000 ] - [ -0.0006532400000000, 0.0026676700000000, 0.0009940300000000 ] - [ -0.0004356200000000, 0.0027745200000000, 0.0004191500000000 ] - [ 0.0004761700000000, -0.0001615600000000, 0.0006701100000000 ] - [ 0.0003019600000000, -0.0002262500000000, 0.0003420700000000 ] - [ 0.0004671700000000, -0.0068571900000000, -0.0013817000000000 ] - [ -0.0000095200000000, 0.0014689900000000, 0.0003191800000000 ] - [ 0.0012490900000000, -0.0037379100000000, 0.0019410000000000 ] - [ 0.0002766800000000, 0.0012852300000000, -0.0004635800000000 ] - [ 0.0003666400000000, -0.0017420700000000, -0.0005882400000000 ] - [ 0.0003400300000000, 0.0014684400000000, 0.0007277700000000 ] - [ -0.0012197000000000, -0.0052845000000000, -0.0006335500000000 ] - [ -0.0000556500000000, 0.0013276000000000, -0.0002758100000000 ] - [ 0.0014403100000000, -0.0141000400000000, 0.0016035500000000 ] - [ -0.0002291000000000, 0.0010009300000000, 0.0001393800000000 ] - [ 0.0005407500000000, -0.0009151300000000, -0.0000522100000000 ] - [ 0.0003317100000000, 0.0010253200000000, 0.0001464300000000 ] - [ 0.0002156400000000, -0.0014028800000000, 0.0004012700000000 ] - [ 0.0003866700000000, 0.0007286000000000, 0.0000560100000000 ] - [ -0.0001859400000000, -0.0009739000000000, 0.0010002400000000 ] - [ -0.0002981100000000, 0.0015110200000000, -0.0000321600000000 ] - [ 0.0003103100000000, 0.0013388200000000, -0.0001742300000000 ] - [ -0.0001021600000000, 0.0001086400000000, -0.0012305200000000 ] - [ -0.0000749700000000, 0.0030311800000000, -0.0001673300000000 ] - [ -0.0006734300000000, -0.0072617800000000, -0.0022075500000000 ] - [ -0.0002573700000000, 0.0027245200000000, -0.0008622800000000 ] - [ 0.0036590000000000, -0.0032278200000000, -0.0002898300000000 ] - [ 0.0002982300000000, 0.0014549700000000, -0.0001317300000000 ] - [ 0.0000810100000000, -0.0004159500000000, -0.0002367300000000 ] - [ 0.0036575200000000, -0.0021086000000000, -0.0031204600000000 ] - [ 0.0002464200000000, 0.0009183100000000, 0.0003540600000000 ] - [ -0.0004488700000000, -0.0012709400000000, -0.0006107700000000 ] - [ -0.0002429200000000, 0.0013329300000000, 0.0004305000000000 ] - [ -0.0007895700000000, -0.0059527100000000, -0.0006704000000000 ] - [ -0.0002187900000000, 0.0008050300000000, -0.0003292700000000 ] - [ 0.0006196300000000, -0.0013375200000000, 0.0014140400000000 ] - [ 0.0003063600000000, 0.0011930700000000, -0.0003530900000000 ] - [ -0.0005287900000000, 0.0019700400000000, -0.0007203200000000 ] - [ 0.0001007400000000, 0.0013088100000000, 0.0011206000000000 ] - [ 0.0006263700000000, -0.0001276300000000, -0.0008801800000000 ] - [ 0.0019716200000000, -0.0003816800000000, 0.0027177100000000 ] - [ -0.0012934800000000, 0.0694953300000000, -0.0004720000000000 ] - [ -0.0002891200000000, -0.0020080200000000, 0.0002311900000000 ] - [ 0.0001846600000000, 0.0021446000000000, -0.0003009900000000 ] - [ 0.0005197200000000, -0.0019147400000000, -0.0001271600000000 ] - [ 0.0007842100000000, 0.0026196700000000, 0.0014957100000000 ] - [ 0.0004548000000000, -0.0017247400000000, 0.0001396100000000 ] - [ 0.0007023200000000, 0.0086838100000000, -0.0000256900000000 ] - [ -0.0001725600000000, -0.0023333000000000, 0.0000959600000000 ] - [ 0.0000238100000000, -0.0011417600000000, 0.0004475300000000 ] - [ 0.0000581800000000, -0.0007700700000000, 0.0003730200000000 ] - [ -0.0031090300000000, -0.0082754500000000, 0.0059195500000000 ] - [ 0.0044308200000000, -0.0075767100000000, -0.0004045000000000 ] - [ -0.0000058200000000, -0.0006710800000000, -0.0003649800000000 ] - [ -0.0001415400000000, -0.0015544000000000, 0.0008499200000000 ] - [ -0.0044957200000000, -0.0091322000000000, -0.0072227200000000 ] - [ 0.0007611300000000, -0.0009360000000000, 0.0022226200000000 ] - [ 0.0011650600000000, 0.0003547600000000, 0.0068872800000000 ] - [ -0.0002604300000000, -0.0013937200000000, 0.0001586700000000 ] - [ -0.0014106200000000, 0.0055213000000000, 0.0025653500000000 ] - [ -0.0002478600000000, -0.0021256300000000, -0.0001882200000000 ] - [ -0.0003761400000000, 0.0079977800000000, -0.0015612600000000 ] - [ -0.0001154500000000, -0.0015749200000000, 0.0003135100000000 ] - [ -0.0000556200000000, 0.0014045400000000, -0.0005272900000000 ] - [ -0.0002697500000000, -0.0017853200000000, -0.0000463000000000 ] - [ -0.0003329900000000, -0.0003268000000000, -0.0012777900000000 ] - [ -0.0003818500000000, 0.0002253700000000, -0.0000550800000000 ] - [ 0.0000195000000000, -0.0013383500000000, -0.0004974900000000 ] - [ -0.0000865500000000, -0.0041509500000000, 0.0001678500000000 ] - [ 0.0003271300000000, 0.0014695600000000, -0.0006432000000000 ] - [ 0.0002997300000000, -0.0008905200000000, -0.0001244000000000 ] - [ -0.0031077500000000, -0.0070664900000000, -0.0059394200000000 ] - [ -0.0002395900000000, -0.0019275500000000, -0.0000839300000000 ] - [ 0.0040562600000000, -0.0060034800000000, -0.0013960600000000 ] - [ -0.0002856300000000, -0.0017862400000000, -0.0003252000000000 ] - [ 0.0003857800000000, 0.0012053200000000, -0.0002073000000000 ] - [ 0.0004028600000000, -0.0011257400000000, -0.0005749800000000 ] - [ -0.0013915100000000, 0.0034934500000000, -0.0054435700000000 ] - [ -0.0003010800000000, -0.0005337200000000, 0.0011317300000000 ] - [ 0.0007011400000000, -0.0024677100000000, -0.0024913200000000 ] - [ -0.0004765900000000, -0.0001691300000000, -0.0002831800000000 ] - [ -0.0098111500000000, -0.0054981200000000, 0.0092281100000000 ] - [ -0.0002827800000000, -0.0000728600000000, 0.0001130000000000 ] - [ -0.0003908800000000, 0.0006424600000000, 0.0012310300000000 ] - [ -0.0003680500000000, -0.0006162900000000, -0.0015017100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004798000000000, 0.0009132300000000, 0.0001474300000000 ] - [ -0.0001920500000000, -0.0005255000000000, -0.0003563100000000 ] - [ 0.0014522000000000, 0.0006100100000000, -0.0019216200000000 ] - [ 0.0005360800000000, -0.0006737800000000, 0.0004950000000000 ] - [ -0.0024006900000000, 0.0010513800000000, 0.0048211800000000 ] - [ 0.0001912400000000, 0.0010412900000000, -0.0005335700000000 ] - [ 0.0007606600000000, -0.0021706500000000, -0.0037593800000000 ] - [ -0.0001466100000000, 0.0002703400000000, 0.0001923100000000 ] - [ -0.0001271300000000, -0.0008201100000000, 0.0015668500000000 ] - [ -0.0004898100000000, -0.0001798600000000, 0.0013112800000000 ] - [ 0.0003726800000000, -0.0011970200000000, -0.0016965800000000 ] - [ 0.0002876800000000, -0.0005671700000000, -0.0019951800000000 ] - [ -0.0014024400000000, 0.0017028300000000, 0.0072632100000000 ] - [ -0.0000254000000000, -0.0000594300000000, 0.0004616600000000 ] - [ -0.0005637200000000, 0.0018438700000000, -0.0037029800000000 ] - [ 0.0002174000000000, 0.0002778300000000, -0.0007110800000000 ] - [ 0.0005210000000000, -0.0005923400000000, -0.0025072900000000 ] - [ 0.0000438200000000, -0.0000006600000000, -0.0002519800000000 ] - [ 0.0006959000000000, 0.0001456300000000, 0.0060540600000000 ] - [ -0.0001390500000000, -0.0001156000000000, 0.0003105900000000 ] - [ -0.0000055600000000, -0.0009269200000000, 0.0047646800000000 ] - [ -0.0003505100000000, -0.0004767400000000, 0.0000050100000000 ] - [ 0.0002178200000000, 0.0002334000000000, -0.0029207400000000 ] - [ 0.0004174700000000, -0.0005538700000000, -0.0002112100000000 ] - [ 0.0038307300000000, -0.0005970200000000, -0.0025342600000000 ] - [ 0.0002383500000000, 0.0002908600000000, -0.0004130900000000 ] - [ 0.0004171400000000, -0.0010567900000000, 0.0000723900000000 ] - [ -0.0005272200000000, 0.0001088600000000, 0.0004508600000000 ] - [ 0.0002331500000000, 0.0001822600000000, -0.0007762900000000 ] - [ -0.0001322100000000, 0.0009120000000000, -0.0021705900000000 ] - [ -0.0003451400000000, 0.0003455500000000, 0.0017554200000000 ] - [ 0.0011897100000000, 0.0010928100000000, 0.0074987700000000 ] - [ -0.0004896600000000, 0.0015308000000000, 0.0007637300000000 ] - [ 0.0007541400000000, 0.0004300200000000, 0.0078688400000000 ] - [ 0.0000849200000000, 0.0003600700000000, -0.0004863500000000 ] - [ 0.0001300000000000, 0.0001367400000000, -0.0019975300000000 ] - [ 0.0000478500000000, 0.0010085900000000, -0.0003719900000000 ] - [ 0.0001979900000000, -0.0000250800000000, 0.0000004600000000 ] - [ -0.0019675300000000, 0.0001287300000000, -0.0021681600000000 ] - [ -0.0002467700000000, -0.0004804400000000, 0.0003017100000000 ] - [ 0.0024302200000000, 0.0002282500000000, 0.0037340200000000 ] - [ -0.0003354800000000, 0.0002311300000000, -0.0003992200000000 ] - [ -0.0001894300000000, -0.0013421500000000, -0.0014629300000000 ] - [ 0.0001049200000000, 0.0000699900000000, 0.0000085500000000 ] - [ -0.0003185900000000, 0.0007394500000000, 0.0011493700000000 ] - [ 0.0001397000000000, -0.0008180000000000, -0.0006317200000000 ] - [ 0.0002668700000000, 0.0006590800000000, -0.0016955900000000 ] - [ -0.0000918600000000, -0.0015917200000000, -0.0006467800000000 ] - [ 0.0000885400000000, 0.0002777700000000, -0.0657279400000000 ] - [ -0.0003335700000000, -0.0001620300000000, -0.0005128600000000 ] - [ 0.0011161900000000, -0.0002403300000000, 0.0038710200000000 ] - [ 0.0003393400000000, -0.0001971500000000, 0.0001718200000000 ] - [ -0.0003411800000000, -0.0014299100000000, 0.0024047700000000 ] - [ 0.0004795900000000, -0.0002081300000000, 0.0007578300000000 ] - [ -0.0010578200000000, -0.0001194100000000, 0.0003928800000000 ] - [ -0.0004164500000000, 0.0001679400000000, -0.0007289300000000 ] - [ -0.0001620300000000, -0.0008519900000000, 0.0005421700000000 ] - [ -0.0001379000000000, 0.0002653800000000, 0.0016877600000000 ] - [ -0.0029456600000000, -0.0067931500000000, 0.0001913200000000 ] - [ 0.0004397600000000, -0.0005094600000000, -0.0048293000000000 ] - [ 0.0001590700000000, 0.0007719500000000, 0.0009573800000000 ] - [ -0.0002199900000000, -0.0011388000000000, 0.0001503700000000 ] - [ 0.0026785400000000, 0.0066844300000000, -0.0012123200000000 ] - [ 0.0008240000000000, -0.0020217200000000, 0.0015072600000000 ] - [ 0.0016640500000000, -0.0063515500000000, 0.0049694400000000 ] - [ -0.0000969300000000, 0.0000641000000000, 0.0006154100000000 ] - [ 0.0004695600000000, -0.0019130900000000, 0.0153676400000000 ] - [ 0.0002037500000000, 0.0002712200000000, -0.0004407200000000 ] - [ 0.0024055200000000, 0.0012136000000000, -0.0016932800000000 ] - [ 0.0000192800000000, -0.0004343100000000, -0.0000089200000000 ] - [ -0.0003006500000000, 0.0005283000000000, 0.0022653300000000 ] - [ -0.0000689900000000, -0.0000389900000000, -0.0002647700000000 ] - [ -0.0007537200000000, 0.0029837200000000, 0.0016776600000000 ] - [ -0.0002629200000000, -0.0007041800000000, 0.0013346100000000 ] - [ -0.0001972600000000, 0.0015299800000000, -0.0001737700000000 ] - [ 0.0002684400000000, -0.0015661800000000, -0.0013942500000000 ] - [ 0.0008181900000000, 0.0017667900000000, 0.0036234700000000 ] - [ 0.0002861100000000, -0.0000157200000000, 0.0010431500000000 ] - [ 0.0016994300000000, 0.0053480600000000, -0.0011128200000000 ] - [ -0.0002874700000000, 0.0002425200000000, -0.0008119600000000 ] - [ -0.0003560200000000, -0.0000509600000000, -0.0044700700000000 ] - [ -0.0002238000000000, 0.0005494400000000, -0.0004003200000000 ] - [ 0.0002955600000000, 0.0004283300000000, 0.0034527100000000 ] - [ 0.0002751800000000, 0.0005362700000000, 0.0008502700000000 ] - [ -0.0067759000000000, -0.0014625800000000, 0.0126293100000000 ] - [ -0.0000783100000000, -0.0004358200000000, 0.0009417300000000 ] - [ -0.0019076700000000, 0.0027554200000000, 0.0037540000000000 ] - [ 0.0000634200000000, -0.0000306300000000, 0.0000665900000000 ] - [ -0.0041888700000000, -0.0027455900000000, 0.0026131900000000 ] - [ 0.0001808900000000, 0.0001503300000000, -0.0004325300000000 ] - [ 0.0004239000000000, 0.0012250500000000, 0.0018559800000000 ] - [ 0.0001422300000000, -0.0001130500000000, -0.0001552900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008480800000000, -0.0005857500000000, 0.0001638800000000 ] - [ -0.0001866300000000, 0.0001905500000000, 0.0000679400000000 ] - [ -0.0010903900000000, -0.0009528500000000, 0.0022141200000000 ] - [ -0.0001588800000000, 0.0010037700000000, -0.0007834200000000 ] - [ 0.0026077500000000, -0.0011954100000000, -0.0048691000000000 ] - [ 0.0001846500000000, -0.0007127800000000, 0.0008242800000000 ] - [ -0.0011362500000000, 0.0024936700000000, 0.0034423000000000 ] - [ -0.0002325300000000, -0.0006078600000000, 0.0000959500000000 ] - [ -0.0005614300000000, 0.0008153100000000, -0.0012325400000000 ] - [ -0.0001933500000000, 0.0001741000000000, -0.0016567500000000 ] - [ 0.0003135300000000, 0.0011861300000000, 0.0020338500000000 ] - [ 0.0003983500000000, 0.0005598600000000, 0.0016572700000000 ] - [ 0.0014901600000000, -0.0016717700000000, -0.0076437700000000 ] - [ -0.0001332200000000, -0.0002988100000000, -0.0005861300000000 ] - [ 0.0007174600000000, -0.0021880000000000, 0.0038139700000000 ] - [ -0.0000590500000000, 0.0000772700000000, 0.0005858600000000 ] - [ -0.0003667800000000, 0.0002462700000000, 0.0023919400000000 ] - [ 0.0001178900000000, 0.0003608800000000, 0.0003859400000000 ] - [ -0.0008644700000000, 0.0002046200000000, -0.0061497100000000 ] - [ -0.0000208500000000, -0.0002451400000000, -0.0001827300000000 ] - [ -0.0007932300000000, 0.0013302500000000, -0.0045142000000000 ] - [ -0.0004294900000000, 0.0000035900000000, -0.0002302300000000 ] - [ 0.0005538300000000, -0.0007081300000000, 0.0031608400000000 ] - [ 0.0003581600000000, 0.0010211300000000, -0.0000096500000000 ] - [ -0.0030116200000000, 0.0001218200000000, 0.0023044400000000 ] - [ 0.0005430000000000, 0.0001777300000000, 0.0006352400000000 ] - [ -0.0012037100000000, 0.0015338800000000, -0.0003048700000000 ] - [ -0.0002581500000000, -0.0005838000000000, -0.0002230300000000 ] - [ 0.0001036000000000, 0.0001794800000000, 0.0005845800000000 ] - [ 0.0004665500000000, -0.0012684600000000, 0.0023608600000000 ] - [ 0.0000023900000000, -0.0007079300000000, -0.0019481400000000 ] - [ -0.0017526500000000, -0.0004288700000000, -0.0075631300000000 ] - [ 0.0001543600000000, -0.0018932300000000, -0.0005749200000000 ] - [ -0.0010746300000000, -0.0000515400000000, -0.0080493400000000 ] - [ 0.0002522400000000, 0.0000043500000000, 0.0006807000000000 ] - [ 0.0002075200000000, -0.0004930600000000, 0.0018052100000000 ] - [ 0.0003093100000000, -0.0010089700000000, 0.0001761000000000 ] - [ 0.0001790600000000, 0.0000329500000000, 0.0002110500000000 ] - [ 0.0016100200000000, -0.0001176700000000, 0.0019596800000000 ] - [ -0.0001240900000000, 0.0004696400000000, -0.0000904000000000 ] - [ -0.0026235200000000, -0.0001544400000000, -0.0030467300000000 ] - [ -0.0000409000000000, -0.0002399400000000, 0.0001839300000000 ] - [ 0.0005558700000000, 0.0013548200000000, 0.0016795500000000 ] - [ 0.0002748300000000, -0.0000628000000000, -0.0002210400000000 ] - [ 0.0003523700000000, -0.0007427900000000, -0.0004959800000000 ] - [ -0.0001094600000000, 0.0008181800000000, -0.0000187800000000 ] - [ -0.0002894800000000, -0.0006682600000000, 0.0023386000000000 ] - [ 0.0000651900000000, 0.0015854600000000, 0.0000102000000000 ] - [ -0.0009052600000000, -0.0009619100000000, 0.0660455500000000 ] - [ -0.0004715300000000, 0.0007401100000000, 0.0000670800000000 ] - [ -0.0003098300000000, 0.0008017500000000, -0.0034197500000000 ] - [ 0.0004655800000000, -0.0003764300000000, -0.0006203700000000 ] - [ 0.0011411800000000, 0.0019885600000000, -0.0028570000000000 ] - [ 0.0003236600000000, -0.0003662500000000, -0.0003115100000000 ] - [ 0.0002683900000000, -0.0004632800000000, -0.0007882300000000 ] - [ -0.0003884900000000, 0.0004107700000000, 0.0011752700000000 ] - [ 0.0000476000000000, 0.0008510000000000, -0.0013211000000000 ] - [ 0.0000247900000000, -0.0002666000000000, -0.0009121600000000 ] - [ 0.0030693300000000, 0.0068105200000000, -0.0009429500000000 ] - [ -0.0003140600000000, 0.0004779000000000, 0.0055968100000000 ] - [ -0.0003926600000000, -0.0007734700000000, -0.0006349600000000 ] - [ -0.0000121700000000, 0.0011402900000000, -0.0004753700000000 ] - [ -0.0024422900000000, -0.0066819500000000, 0.0014930700000000 ] - [ -0.0005948000000000, 0.0020278500000000, -0.0018215500000000 ] - [ -0.0018389100000000, 0.0063606700000000, -0.0055508900000000 ] - [ -0.0000951100000000, -0.0001382200000000, -0.0000062300000000 ] - [ -0.0002792700000000, 0.0018538800000000, -0.0161458300000000 ] - [ -0.0000101400000000, -0.0001941400000000, 0.0010456200000000 ] - [ -0.0021869300000000, -0.0012982400000000, 0.0022357000000000 ] - [ 0.0001739100000000, 0.0005124600000000, -0.0005955800000000 ] - [ 0.0001031600000000, -0.0004643900000000, -0.0016577000000000 ] - [ -0.0001241300000000, -0.0000339800000000, -0.0003445400000000 ] - [ 0.0005445000000000, -0.0029686200000000, -0.0009134600000000 ] - [ 0.0000590300000000, 0.0007129000000000, -0.0021012900000000 ] - [ 0.0004027500000000, -0.0015291900000000, 0.0009464300000000 ] - [ -0.0000634800000000, 0.0015816800000000, 0.0006229500000000 ] - [ -0.0002643100000000, -0.0012181100000000, -0.0034023900000000 ] - [ 0.0002621800000000, -0.0005180000000000, -0.0012602300000000 ] - [ -0.0022543100000000, -0.0058937500000000, 0.0013607800000000 ] - [ -0.0002622900000000, 0.0003001300000000, 0.0005943600000000 ] - [ -0.0002102100000000, -0.0004551900000000, 0.0042621900000000 ] - [ -0.0003249300000000, -0.0000085300000000, 0.0006202000000000 ] - [ 0.0002499700000000, 0.0001182700000000, -0.0036669500000000 ] - [ 0.0002737000000000, -0.0010700800000000, -0.0006348300000000 ] - [ 0.0064586000000000, 0.0017626000000000, -0.0131277600000000 ] - [ -0.0001487700000000, 0.0001749600000000, -0.0002039500000000 ] - [ 0.0021778000000000, -0.0030350700000000, -0.0044721700000000 ] - [ 0.0001655800000000, 0.0002915500000000, 0.0006708600000000 ] - [ 0.0043989200000000, 0.0024469100000000, -0.0019163500000000 ] - [ 0.0000486800000000, 0.0001088700000000, -0.0003022100000000 ] - [ -0.0006509400000000, -0.0009666500000000, -0.0011200200000000 ] - [ -0.0003697100000000, -0.0001490200000000, -0.0005832200000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024549000000000, -0.0007989000000000, 0.0009152800000000 ] - [ -0.0000897200000000, 0.0000352500000000, -0.0009956600000000 ] - [ 0.0001598900000000, -0.0001024300000000, 0.0001071000000000 ] - [ 0.0002450100000000, 0.0001936500000000, -0.0000423000000000 ] - [ 0.0002450100000000, -0.0001936500000000, -0.0000423000000000 ] - [ 0.0001598900000000, 0.0001024300000000, 0.0001071000000000 ] - [ -0.0000897200000000, -0.0000352500000000, -0.0009956600000000 ] - [ 0.0024549000000000, 0.0007989000000000, 0.0009152800000000 ] - [ -0.0000535600000000, 0.0000000000000000, 0.0000599900000000 ] - [ -0.0006288400000000, 0.0000000000000000, -0.0001636500000000 ] - [ 0.0003902100000000, 0.0000000000000000, 0.0001472500000000 ] - [ 0.0003043600000000, 0.0000000000000000, -0.0001998600000000 ] - [ -0.0000239700000000, 0.0000525200000000, -0.0000077300000000 ] - [ -0.0007054600000000, -0.0008460400000000, -0.0008685400000000 ] - [ 0.0005355500000000, -0.0004183200000000, -0.0000351000000000 ] - [ -0.0001545100000000, 0.0001707900000000, -0.0001829000000000 ] - [ -0.0001545100000000, -0.0001707900000000, -0.0001829000000000 ] - [ 0.0005355500000000, 0.0004183200000000, -0.0000351000000000 ] - [ -0.0007054600000000, 0.0008460400000000, -0.0008685400000000 ] - [ -0.0000239700000000, -0.0000525200000000, -0.0000077300000000 ] - [ 0.0000311000000000, 0.0005572000000000, 0.0006521000000000 ] - [ -0.0005131600000000, -0.0000918700000000, 0.0001360500000000 ] - [ 0.0002347800000000, -0.0005737300000000, -0.0000369300000000 ] - [ 0.0005701100000000, -0.0000466300000000, -0.0002027300000000 ] - [ 0.0005701100000000, 0.0000466300000000, -0.0002027300000000 ] - [ 0.0002347800000000, 0.0005737300000000, -0.0000369300000000 ] - [ -0.0005131600000000, 0.0000918700000000, 0.0001360500000000 ] - [ 0.0000311000000000, -0.0005572000000000, 0.0006521000000000 ] - [ 0.0070354100000000, 0.0017019500000000, -0.0016339500000000 ] - [ -0.0020350200000000, -0.0038954600000000, 0.0000687300000000 ] - [ -0.0002103700000000, -0.0002355000000000, -0.0000136600000000 ] - [ -0.0001352700000000, 0.0002190700000000, 0.0001125600000000 ] - [ -0.0001352700000000, -0.0002190700000000, 0.0001125600000000 ] - [ -0.0002103700000000, 0.0002355000000000, -0.0000136600000000 ] - [ -0.0020350200000000, 0.0038954600000000, 0.0000687300000000 ] - [ 0.0070354100000000, -0.0017019500000000, -0.0016339500000000 ] - [ -0.0009078700000000, -0.0003877300000000, 0.0002856400000000 ] - [ 0.0005438900000000, -0.0003637500000000, 0.0001454100000000 ] - [ -0.0002258100000000, 0.0002319900000000, -0.0001568400000000 ] - [ -0.0001409800000000, 0.0007820400000000, 0.0002332700000000 ] - [ -0.0001409800000000, -0.0007820400000000, 0.0002332700000000 ] - [ -0.0002258100000000, -0.0002319900000000, -0.0001568400000000 ] - [ 0.0005438900000000, 0.0003637500000000, 0.0001454100000000 ] - [ -0.0009078700000000, 0.0003877300000000, 0.0002856400000000 ] - [ -0.0028130800000000, 0.0000000000000000, 0.0023731100000000 ] - [ 0.0004229300000000, 0.0000000000000000, -0.0005357100000000 ] - [ 0.0000256700000000, 0.0000000000000000, 0.0002572500000000 ] - [ -0.0000732300000000, 0.0000000000000000, -0.0003084800000000 ] - [ -0.0005935600000000, -0.0003756800000000, 0.0001135400000000 ] - [ -0.0002844400000000, 0.0004101800000000, -0.0001360700000000 ] - [ -0.0018298900000000, 0.0034793300000000, 0.0032314000000000 ] - [ 0.0050373900000000, 0.0040888500000000, 0.0001573400000000 ] - [ 0.0050373900000000, -0.0040888500000000, 0.0001573400000000 ] - [ -0.0018298900000000, -0.0034793300000000, 0.0032314000000000 ] - [ -0.0002844400000000, -0.0004101800000000, -0.0001360700000000 ] - [ -0.0005935600000000, 0.0003756800000000, 0.0001135400000000 ] - [ -0.0479072900000000, 0.0000000000000000, 0.0015318700000000 ] - [ 0.0161364500000000, 0.0000000000000000, 0.0027484000000000 ] - [ 0.0000576700000000, 0.0000000000000000, -0.0004085000000000 ] - [ 0.0000465700000000, 0.0000000000000000, 0.0003198700000000 ] - [ -0.0044031400000000, 0.0000000000000000, -0.0001695500000000 ] - [ 0.0195989000000000, 0.0000000000000000, 0.0008403200000000 ] - [ 0.0001245200000000, 0.0000000000000000, 0.0000695000000000 ] - [ 0.0000976200000000, 0.0000000000000000, -0.0001331100000000 ] - [ -0.0017363400000000, 0.0060716800000000, -0.0051751700000000 ] - [ 0.0009659700000000, 0.0005880600000000, -0.0008127400000000 ] - [ 0.0000109600000000, -0.0000839300000000, -0.0002500100000000 ] - [ 0.0003771700000000, 0.0001715500000000, 0.0001084100000000 ] - [ 0.0003771700000000, -0.0001715500000000, 0.0001084100000000 ] - [ 0.0000109600000000, 0.0000839300000000, -0.0002500100000000 ] - [ 0.0009659700000000, -0.0005880600000000, -0.0008127400000000 ] - [ -0.0017363400000000, -0.0060716800000000, -0.0051751700000000 ] - [ -0.0001081800000000, 0.0000000000000000, 0.0003943700000000 ] - [ -0.0000905500000000, 0.0000000000000000, -0.0003132000000000 ] - [ 0.0000588300000000, 0.0000000000000000, 0.0004655300000000 ] - [ -0.0020208700000000, 0.0000000000000000, 0.0002647800000000 ] - [ 0.0003600900000000, 0.0003960900000000, 0.0001496500000000 ] - [ 0.0001989300000000, -0.0002039700000000, -0.0000634700000000 ] - [ -0.0002982800000000, -0.0001868900000000, 0.0001549400000000 ] - [ -0.0000878300000000, -0.0000599800000000, -0.0005056500000000 ] - [ -0.0000878300000000, 0.0000599800000000, -0.0005056500000000 ] - [ -0.0002982800000000, 0.0001868900000000, 0.0001549400000000 ] - [ 0.0001989300000000, 0.0002039700000000, -0.0000634700000000 ] - [ 0.0003600900000000, -0.0003960900000000, 0.0001496500000000 ] - [ -0.0003543000000000, 0.0002384000000000, -0.0003906400000000 ] - [ -0.0000153500000000, -0.0000799400000000, 0.0004550700000000 ] - [ 0.0000188300000000, 0.0000105400000000, -0.0002840600000000 ] - [ 0.0019796800000000, 0.0009385000000000, 0.0011475900000000 ] - [ 0.0019796800000000, -0.0009385000000000, 0.0011475900000000 ] - [ 0.0000188300000000, -0.0000105400000000, -0.0002840600000000 ] - [ -0.0000153500000000, 0.0000799400000000, 0.0004550700000000 ] - [ -0.0003543000000000, -0.0002384000000000, -0.0003906400000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029128500000000, 0.0012374200000000, -0.0007662400000000 ] - [ -0.0002841000000000, -0.0003499800000000, 0.0006782100000000 ] - [ 0.0002199900000000, -0.0002219200000000, 0.0001878400000000 ] - [ 0.0001358700000000, 0.0001314900000000, -0.0002535700000000 ] - [ 0.0001358700000000, -0.0001314900000000, -0.0002535700000000 ] - [ 0.0002199900000000, 0.0002219200000000, 0.0001878400000000 ] - [ -0.0002841000000000, 0.0003499800000000, 0.0006782100000000 ] - [ -0.0029128500000000, -0.0012374200000000, -0.0007662400000000 ] - [ -0.0006245700000000, 0.0000000000000000, 0.0002694800000000 ] - [ -0.0000553700000000, 0.0000000000000000, -0.0001594400000000 ] - [ 0.0002926500000000, 0.0000000000000000, 0.0001827400000000 ] - [ 0.0003777700000000, 0.0000000000000000, -0.0001327500000000 ] - [ -0.0001313900000000, 0.0002960400000000, 0.0001318600000000 ] - [ 0.0005383400000000, 0.0004711800000000, 0.0007110800000000 ] - [ -0.0003753600000000, 0.0000663900000000, 0.0001629300000000 ] - [ 0.0003093400000000, 0.0001842800000000, 0.0000492400000000 ] - [ 0.0003093400000000, -0.0001842800000000, 0.0000492400000000 ] - [ -0.0003753600000000, -0.0000663900000000, 0.0001629300000000 ] - [ 0.0005383400000000, -0.0004711800000000, 0.0007110800000000 ] - [ -0.0001313900000000, -0.0002960400000000, 0.0001318600000000 ] - [ -0.0008010800000000, -0.0000793800000000, -0.0004321400000000 ] - [ -0.0002694500000000, -0.0003833000000000, -0.0003464000000000 ] - [ 0.0005421900000000, 0.0000916700000000, 0.0002493400000000 ] - [ 0.0002090400000000, 0.0005279900000000, -0.0000094900000000 ] - [ 0.0002090400000000, -0.0005279900000000, -0.0000094900000000 ] - [ 0.0005421900000000, -0.0000916700000000, 0.0002493400000000 ] - [ -0.0002694500000000, 0.0003833000000000, -0.0003464000000000 ] - [ -0.0008010800000000, 0.0000793800000000, -0.0004321400000000 ] - [ -0.0068365200000000, -0.0015360200000000, 0.0016697600000000 ] - [ 0.0026131700000000, 0.0036258800000000, 0.0001478200000000 ] - [ -0.0001284400000000, -0.0001296600000000, -0.0001773000000000 ] - [ -0.0002022100000000, 0.0001458500000000, 0.0000785100000000 ] - [ -0.0002022100000000, -0.0001458500000000, 0.0000785100000000 ] - [ -0.0001284400000000, 0.0001296600000000, -0.0001773000000000 ] - [ 0.0026131700000000, -0.0036258800000000, 0.0001478200000000 ] - [ -0.0068365200000000, 0.0015360200000000, 0.0016697600000000 ] - [ 0.0012716700000000, 0.0003685300000000, -0.0004879500000000 ] - [ -0.0001677300000000, 0.0003680600000000, 0.0000672500000000 ] - [ -0.0001471200000000, -0.0002205300000000, -0.0000578100000000 ] - [ -0.0002335500000000, -0.0007848300000000, -0.0000171900000000 ] - [ -0.0002335500000000, 0.0007848300000000, -0.0000171900000000 ] - [ -0.0001471200000000, 0.0002205300000000, -0.0000578100000000 ] - [ -0.0001677300000000, -0.0003680600000000, 0.0000672500000000 ] - [ 0.0012716700000000, -0.0003685300000000, -0.0004879500000000 ] - [ 0.0028841900000000, 0.0000000000000000, -0.0016705800000000 ] - [ -0.0004100000000000, 0.0000000000000000, -0.0001070700000000 ] - [ -0.0000477200000000, 0.0000000000000000, 0.0003879100000000 ] - [ 0.0000496600000000, 0.0000000000000000, -0.0003357700000000 ] - [ -0.0002116500000000, -0.0002012200000000, 0.0003284800000000 ] - [ -0.0005120500000000, 0.0001673700000000, -0.0003032300000000 ] - [ 0.0025917300000000, -0.0028999300000000, -0.0027783200000000 ] - [ -0.0042103800000000, -0.0047099100000000, -0.0006000000000000 ] - [ -0.0042103800000000, 0.0047099100000000, -0.0006000000000000 ] - [ 0.0025917300000000, 0.0028999300000000, -0.0027783200000000 ] - [ -0.0005120500000000, -0.0001673700000000, -0.0003032300000000 ] - [ -0.0002116500000000, 0.0002012200000000, 0.0003284800000000 ] - [ 0.0477992600000000, 0.0000000000000000, -0.0024771700000000 ] - [ -0.0161993500000000, 0.0000000000000000, -0.0018267900000000 ] - [ 0.0000556100000000, 0.0000000000000000, -0.0003611400000000 ] - [ 0.0000674800000000, 0.0000000000000000, 0.0004490700000000 ] - [ 0.0041525600000000, 0.0000000000000000, 0.0004265200000000 ] - [ -0.0198271000000000, 0.0000000000000000, -0.0013365100000000 ] - [ 0.0001136200000000, 0.0000000000000000, 0.0002530400000000 ] - [ 0.0001414800000000, 0.0000000000000000, -0.0001895700000000 ] - [ 0.0014870000000000, -0.0059765400000000, 0.0045554100000000 ] - [ -0.0011455700000000, -0.0006707300000000, 0.0014134800000000 ] - [ 0.0001743400000000, 0.0000043000000000, -0.0003500700000000 ] - [ -0.0001856900000000, -0.0000887700000000, 0.0004880000000000 ] - [ -0.0001856900000000, 0.0000887700000000, 0.0004880000000000 ] - [ 0.0001743400000000, -0.0000043000000000, -0.0003500700000000 ] - [ -0.0011455700000000, 0.0006707300000000, 0.0014134800000000 ] - [ 0.0014870000000000, 0.0059765400000000, 0.0045554100000000 ] - [ -0.0001001700000000, 0.0000000000000000, 0.0003730800000000 ] - [ -0.0001186900000000, 0.0000000000000000, -0.0004540000000000 ] - [ 0.0001493600000000, 0.0000000000000000, 0.0003036400000000 ] - [ 0.0022184700000000, 0.0000000000000000, -0.0009996600000000 ] - [ 0.0001875700000000, 0.0001398200000000, 0.0000652900000000 ] - [ 0.0003477800000000, -0.0003300300000000, -0.0001507000000000 ] - [ -0.0002508900000000, -0.0003438400000000, 0.0000604900000000 ] - [ -0.0004550000000000, 0.0005836500000000, 0.0002829200000000 ] - [ -0.0004550000000000, -0.0005836500000000, 0.0002829200000000 ] - [ -0.0002508900000000, 0.0003438400000000, 0.0000604900000000 ] - [ 0.0003477800000000, 0.0003300300000000, -0.0001507000000000 ] - [ 0.0001875700000000, -0.0001398200000000, 0.0000652900000000 ] - [ 0.0001251000000000, 0.0000251800000000, -0.0003511500000000 ] - [ -0.0002133100000000, -0.0001844000000000, 0.0002894000000000 ] - [ 0.0002111900000000, -0.0002691300000000, -0.0004498900000000 ] - [ -0.0017495500000000, -0.0006595000000000, -0.0003833900000000 ] - [ -0.0017495500000000, 0.0006595000000000, -0.0003833900000000 ] - [ 0.0002111900000000, 0.0002691300000000, -0.0004498900000000 ] - [ -0.0002133100000000, 0.0001844000000000, 0.0002894000000000 ] - [ 0.0001251000000000, -0.0000251800000000, -0.0003511500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002362800000000, 0.0044564100000000, 0.0014198200000000 ] - [ -0.0002384300000000, 0.0014105800000000, 0.0007613800000000 ] - [ 0.0004789200000000, -0.0015133200000000, -0.0005377200000000 ] - [ -0.0000790800000000, -0.0015544800000000, -0.0011944900000000 ] - [ 0.0004565500000000, -0.0018839900000000, 0.0009018400000000 ] - [ -0.0001045300000000, -0.0011869900000000, 0.0008362400000000 ] - [ -0.0001393300000000, 0.0017480200000000, -0.0010636300000000 ] - [ -0.0007266700000000, 0.0039434800000000, -0.0013004700000000 ] - [ -0.0003439500000000, 0.0016619500000000, 0.0001695200000000 ] - [ -0.0003433200000000, 0.0020496700000000, -0.0001751000000000 ] - [ 0.0003434800000000, -0.0020523400000000, 0.0001713200000000 ] - [ 0.0003434100000000, -0.0019111300000000, -0.0001731200000000 ] - [ -0.0001175100000000, 0.0002269000000000, 0.0002857400000000 ] - [ -0.0009822200000000, -0.0018731300000000, -0.0023291600000000 ] - [ 0.0001866200000000, -0.0035679300000000, 0.0008845300000000 ] - [ 0.0000833600000000, -0.0016980000000000, 0.0013941900000000 ] - [ 0.0000734400000000, -0.0020628500000000, -0.0015349100000000 ] - [ -0.0000237700000000, -0.0031773900000000, -0.0007424300000000 ] - [ 0.0008203400000000, -0.0014915900000000, 0.0021846000000000 ] - [ -0.0000429200000000, -0.0001419800000000, -0.0001520000000000 ] - [ -0.0008283900000000, 0.0011620100000000, 0.0019918500000000 ] - [ -0.0004174800000000, 0.0004244700000000, 0.0004098200000000 ] - [ 0.0003179300000000, -0.0019636400000000, -0.0003404400000000 ] - [ 0.0002117500000000, -0.0017103000000000, -0.0002047300000000 ] - [ 0.0005622000000000, -0.0021893800000000, -0.0000126500000000 ] - [ 0.0004535800000000, -0.0014799600000000, 0.0005542000000000 ] - [ -0.0003572300000000, 0.0009044200000000, -0.0006318100000000 ] - [ 0.0000568700000000, 0.0006798600000000, -0.0017641500000000 ] - [ 0.0007722700000000, 0.0099056000000000, -0.0003903500000000 ] - [ -0.0036328500000000, 0.0048329500000000, -0.0002042200000000 ] - [ -0.0003092000000000, -0.0015936100000000, -0.0004256400000000 ] - [ -0.0000520700000000, -0.0011250100000000, 0.0001922900000000 ] - [ -0.0002857900000000, -0.0014886600000000, -0.0000001700000000 ] - [ -0.0000290400000000, -0.0012299000000000, 0.0002360500000000 ] - [ 0.0041335700000000, 0.0050566200000000, 0.0004224300000000 ] - [ -0.0006535000000000, 0.0097868900000000, 0.0004947300000000 ] - [ -0.0007164600000000, 0.0001940400000000, 0.0015917100000000 ] - [ 0.0006306100000000, 0.0001845100000000, 0.0014902300000000 ] - [ -0.0004135300000000, -0.0007065900000000, -0.0002779600000000 ] - [ -0.0001900800000000, -0.0018500200000000, -0.0002110200000000 ] - [ -0.0001750400000000, -0.0018507200000000, 0.0004211600000000 ] - [ 0.0000476600000000, -0.0007144100000000, 0.0000684000000000 ] - [ -0.0002661700000000, 0.0001851400000000, -0.0012908700000000 ] - [ 0.0010705800000000, 0.0001892700000000, -0.0017861600000000 ] - [ 0.0000206800000000, 0.0033161600000000, 0.0002920800000000 ] - [ 0.0000060100000000, 0.0013693700000000, -0.0003172100000000 ] - [ -0.0000130800000000, -0.0012255100000000, 0.0003219300000000 ] - [ -0.0000135300000000, -0.0015946800000000, -0.0003220000000000 ] - [ 0.0000048900000000, 0.0008439700000000, -0.0006348100000000 ] - [ -0.0002043400000000, 0.0010701300000000, 0.0000481400000000 ] - [ 0.0038434900000000, 0.0086229400000000, 0.0070549400000000 ] - [ 0.0052230700000000, 0.0072774200000000, 0.0002729600000000 ] - [ -0.0045087000000000, 0.0079127100000000, -0.0007149700000000 ] - [ -0.0030070000000000, 0.0079754700000000, -0.0065488600000000 ] - [ -0.0005877100000000, 0.0004747100000000, -0.0004839400000000 ] - [ -0.0007988900000000, 0.0014392700000000, 0.0010681200000000 ] - [ 0.0000996200000000, -0.0573051300000000, -0.0004558500000000 ] - [ -0.0000596400000000, -0.0098586300000000, 0.0003632700000000 ] - [ 0.0000562200000000, 0.0015170600000000, -0.0003861600000000 ] - [ 0.0000558100000000, 0.0018300800000000, 0.0003846600000000 ] - [ -0.0001070700000000, -0.0067216400000000, 0.0001219900000000 ] - [ -0.0001207000000000, -0.0082510600000000, -0.0001369000000000 ] - [ 0.0001134300000000, 0.0018781100000000, 0.0001571100000000 ] - [ 0.0001125200000000, 0.0013362500000000, -0.0001578900000000 ] - [ 0.0055741700000000, 0.0097242800000000, -0.0095016700000000 ] - [ 0.0010798400000000, 0.0005794400000000, -0.0026019200000000 ] - [ 0.0000432600000000, 0.0007133500000000, 0.0000732100000000 ] - [ 0.0003061300000000, 0.0016789400000000, 0.0007959800000000 ] - [ -0.0001233100000000, 0.0015795200000000, -0.0002011700000000 ] - [ 0.0001377300000000, 0.0008115500000000, -0.0006708700000000 ] - [ -0.0012646000000000, 0.0006680600000000, 0.0032126100000000 ] - [ -0.0056872700000000, 0.0095719700000000, 0.0088003400000000 ] - [ -0.0000980300000000, 0.0025015600000000, 0.0003818200000000 ] - [ -0.0000970200000000, 0.0018569300000000, -0.0003804800000000 ] - [ 0.0000987900000000, -0.0017614100000000, 0.0003822100000000 ] - [ 0.0001078100000000, -0.0053079500000000, -0.0003564100000000 ] - [ 0.0004161200000000, 0.0024492600000000, 0.0003091900000000 ] - [ 0.0003201100000000, 0.0017477500000000, -0.0004696100000000 ] - [ -0.0002085900000000, -0.0017872100000000, -0.0002169800000000 ] - [ -0.0001314000000000, -0.0015999100000000, 0.0007650700000000 ] - [ -0.0004152600000000, -0.0021252400000000, -0.0009695800000000 ] - [ -0.0003388600000000, -0.0012691500000000, 0.0004282700000000 ] - [ 0.0002240100000000, 0.0022608500000000, 0.0002628900000000 ] - [ 0.0001322300000000, 0.0019356300000000, -0.0000980200000000 ] - [ -0.0008812200000000, 0.0007274900000000, -0.0018678200000000 ] - [ 0.0000711500000000, 0.0003839600000000, -0.0006989200000000 ] - [ 0.0003999600000000, -0.0000143500000000, -0.0003284800000000 ] - [ 0.0007948800000000, 0.0023491300000000, 0.0030036500000000 ] - [ -0.0005678900000000, 0.0020699400000000, -0.0022602700000000 ] - [ -0.0001639700000000, 0.0002534200000000, -0.0004183500000000 ] - [ -0.0002998500000000, 0.0006522600000000, 0.0014475000000000 ] - [ 0.0006451400000000, 0.0004574700000000, 0.0011123600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002273500000000, 0.0004382900000000, 0.0042578500000000 ] - [ -0.0007202500000000, 0.0014381800000000, -0.0019440700000000 ] - [ 0.0001174300000000, -0.0002839600000000, -0.0003021100000000 ] - [ 0.0003411500000000, 0.0001079000000000, 0.0000825900000000 ] - [ 0.0003411500000000, -0.0001079000000000, 0.0000825900000000 ] - [ 0.0001174300000000, 0.0002839600000000, -0.0003021100000000 ] - [ -0.0007202500000000, -0.0014381800000000, -0.0019440700000000 ] - [ -0.0002273500000000, -0.0004382900000000, 0.0042578500000000 ] - [ -0.0000955900000000, 0.0000000000000000, -0.0029998300000000 ] - [ -0.0006276900000000, 0.0000000000000000, -0.0030928000000000 ] - [ 0.0003175900000000, 0.0000000000000000, 0.0006498600000000 ] - [ 0.0004002700000000, 0.0000000000000000, 0.0002437900000000 ] - [ 0.0002058100000000, -0.0003345200000000, -0.0014966100000000 ] - [ -0.0008717600000000, -0.0018442200000000, -0.0026160100000000 ] - [ -0.0000053800000000, -0.0003048900000000, 0.0018686400000000 ] - [ -0.0001857000000000, 0.0010382600000000, 0.0002818300000000 ] - [ -0.0001857000000000, -0.0010382600000000, 0.0002818300000000 ] - [ -0.0000053800000000, 0.0003048900000000, 0.0018686400000000 ] - [ -0.0008717600000000, 0.0018442200000000, -0.0026160100000000 ] - [ 0.0002058100000000, 0.0003345200000000, -0.0014966100000000 ] - [ -0.0000970100000000, 0.0013339900000000, -0.0010861000000000 ] - [ -0.0006289200000000, -0.0001153700000000, -0.0016509100000000 ] - [ 0.0004618600000000, -0.0010241900000000, 0.0000641200000000 ] - [ 0.0000277700000000, 0.0005121600000000, 0.0004799500000000 ] - [ 0.0000277700000000, -0.0005121600000000, 0.0004799500000000 ] - [ 0.0004618600000000, 0.0010241900000000, 0.0000641200000000 ] - [ -0.0006289200000000, 0.0001153700000000, -0.0016509100000000 ] - [ -0.0000970100000000, -0.0013339900000000, -0.0010861000000000 ] - [ -0.0020858600000000, -0.0019271200000000, 0.0105702700000000 ] - [ 0.0015933600000000, 0.0002042100000000, 0.0088392900000000 ] - [ -0.0001501600000000, -0.0003885400000000, -0.0006273700000000 ] - [ -0.0001622900000000, 0.0002806300000000, -0.0005981400000000 ] - [ -0.0001622900000000, -0.0002806300000000, -0.0005981400000000 ] - [ -0.0001501600000000, 0.0003885400000000, -0.0006273700000000 ] - [ 0.0015933600000000, -0.0002042100000000, 0.0088392900000000 ] - [ -0.0020858600000000, 0.0019271200000000, 0.0105702700000000 ] - [ 0.0005051900000000, 0.0010113600000000, 0.0003913500000000 ] - [ -0.0004564000000000, 0.0009963300000000, -0.0011534900000000 ] - [ -0.0001274800000000, -0.0006489800000000, -0.0004035700000000 ] - [ -0.0005410000000000, -0.0011561600000000, 0.0002029700000000 ] - [ -0.0005410000000000, 0.0011561600000000, 0.0002029700000000 ] - [ -0.0001274800000000, 0.0006489800000000, -0.0004035700000000 ] - [ -0.0004564000000000, -0.0009963300000000, -0.0011534900000000 ] - [ 0.0005051900000000, -0.0010113600000000, 0.0003913500000000 ] - [ 0.0039564500000000, 0.0000000000000000, -0.0047793300000000 ] - [ 0.0038895700000000, 0.0000000000000000, -0.0053668700000000 ] - [ 0.0001109600000000, 0.0000000000000000, 0.0002761400000000 ] - [ 0.0000099500000000, 0.0000000000000000, 0.0000586900000000 ] - [ -0.0008373800000000, -0.0011226000000000, 0.0011515300000000 ] - [ -0.0000425000000000, 0.0003080500000000, 0.0010794900000000 ] - [ 0.0031409700000000, 0.0066295200000000, 0.0007693900000000 ] - [ 0.0002639900000000, -0.0010701600000000, -0.0054244300000000 ] - [ 0.0002639900000000, 0.0010701600000000, -0.0054244300000000 ] - [ 0.0031409700000000, -0.0066295200000000, 0.0007693900000000 ] - [ -0.0000425000000000, -0.0003080500000000, 0.0010794900000000 ] - [ -0.0008373800000000, 0.0011226000000000, 0.0011515300000000 ] - [ 0.0022467800000000, 0.0000000000000000, -0.0671739200000000 ] - [ -0.0023629400000000, 0.0000000000000000, 0.0009597600000000 ] - [ 0.0000787400000000, 0.0000000000000000, 0.0001222500000000 ] - [ -0.0000097500000000, 0.0000000000000000, 0.0006736000000000 ] - [ -0.0010205100000000, 0.0000000000000000, 0.0193494500000000 ] - [ 0.0009796700000000, 0.0000000000000000, -0.0014313700000000 ] - [ 0.0001087300000000, 0.0000000000000000, 0.0002138000000000 ] - [ 0.0001255700000000, 0.0000000000000000, 0.0002081400000000 ] - [ -0.0042611200000000, -0.0086009300000000, 0.0002848100000000 ] - [ -0.0014930200000000, -0.0023820200000000, 0.0025736900000000 ] - [ 0.0000575200000000, 0.0005215300000000, 0.0002804300000000 ] - [ 0.0001942100000000, 0.0010760900000000, 0.0001363200000000 ] - [ 0.0001942100000000, -0.0010760900000000, 0.0001363200000000 ] - [ 0.0000575200000000, -0.0005215300000000, 0.0002804300000000 ] - [ -0.0014930200000000, 0.0023820200000000, 0.0025736900000000 ] - [ -0.0042611200000000, 0.0086009300000000, 0.0002848100000000 ] - [ -0.0000619100000000, 0.0000000000000000, 0.0000061700000000 ] - [ -0.0001497100000000, 0.0000000000000000, -0.0005254500000000 ] - [ -0.0004606200000000, 0.0000000000000000, 0.0028761900000000 ] - [ 0.0014132100000000, 0.0000000000000000, 0.0106660000000000 ] - [ 0.0001916700000000, 0.0003141600000000, -0.0006677300000000 ] - [ 0.0002876000000000, -0.0006375000000000, -0.0006054500000000 ] - [ -0.0001276100000000, 0.0000230800000000, 0.0029582800000000 ] - [ -0.0004204900000000, 0.0010597000000000, 0.0023294000000000 ] - [ -0.0004204900000000, -0.0010597000000000, 0.0023294000000000 ] - [ -0.0001276100000000, -0.0000230800000000, 0.0029582800000000 ] - [ 0.0002876000000000, 0.0006375000000000, -0.0006054500000000 ] - [ 0.0001916700000000, -0.0003141600000000, -0.0006677300000000 ] - [ 0.0002978400000000, 0.0003021600000000, -0.0007889100000000 ] - [ -0.0002190600000000, -0.0002851400000000, 0.0008145500000000 ] - [ 0.0002516700000000, 0.0006239400000000, 0.0010859700000000 ] - [ 0.0012982800000000, 0.0016568300000000, 0.0033950300000000 ] - [ 0.0012982800000000, -0.0016568300000000, 0.0033950300000000 ] - [ 0.0002516700000000, -0.0006239400000000, 0.0010859700000000 ] - [ -0.0002190600000000, 0.0002851400000000, 0.0008145500000000 ] - [ 0.0002978400000000, -0.0003021600000000, -0.0007889100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002594400000000, 0.0000538400000000, -0.0041819900000000 ] - [ 0.0003323300000000, -0.0017593400000000, 0.0016485200000000 ] - [ 0.0002565500000000, -0.0000436200000000, 0.0006052500000000 ] - [ 0.0000335000000000, 0.0002201000000000, -0.0003868400000000 ] - [ 0.0000335000000000, -0.0002201000000000, -0.0003868400000000 ] - [ 0.0002565500000000, 0.0000436200000000, 0.0006052500000000 ] - [ 0.0003323300000000, 0.0017593400000000, 0.0016485200000000 ] - [ -0.0002594400000000, -0.0000538400000000, -0.0041819900000000 ] - [ -0.0005974800000000, 0.0000000000000000, 0.0033521100000000 ] - [ -0.0000473100000000, 0.0000000000000000, 0.0027602000000000 ] - [ 0.0003679900000000, 0.0000000000000000, -0.0003093100000000 ] - [ 0.0002852200000000, 0.0000000000000000, -0.0005848200000000 ] - [ -0.0003648700000000, 0.0006953700000000, 0.0016321900000000 ] - [ 0.0007131200000000, 0.0014832300000000, 0.0024748000000000 ] - [ 0.0001678700000000, -0.0000519500000000, -0.0017411000000000 ] - [ 0.0003431400000000, -0.0006809300000000, -0.0004094300000000 ] - [ 0.0003431400000000, 0.0006809300000000, -0.0004094300000000 ] - [ 0.0001678700000000, 0.0000519500000000, -0.0017411000000000 ] - [ 0.0007131200000000, -0.0014832300000000, 0.0024748000000000 ] - [ -0.0003648700000000, -0.0006953700000000, 0.0016321900000000 ] - [ -0.0006755900000000, -0.0008731800000000, 0.0013044700000000 ] - [ -0.0001458700000000, -0.0003574400000000, 0.0014377500000000 ] - [ 0.0003127600000000, 0.0005468300000000, 0.0001557100000000 ] - [ 0.0007465100000000, -0.0000378500000000, -0.0007022500000000 ] - [ 0.0007465100000000, 0.0000378500000000, -0.0007022500000000 ] - [ 0.0003127600000000, -0.0005468300000000, 0.0001557100000000 ] - [ -0.0001458700000000, 0.0003574400000000, 0.0014377500000000 ] - [ -0.0006755900000000, 0.0008731800000000, 0.0013044700000000 ] - [ 0.0021490000000000, 0.0019465500000000, -0.0104462100000000 ] - [ -0.0011279900000000, -0.0004861500000000, -0.0086598800000000 ] - [ -0.0001882100000000, 0.0000290300000000, 0.0004348400000000 ] - [ -0.0001754200000000, 0.0000787000000000, 0.0007909300000000 ] - [ -0.0001754200000000, -0.0000787000000000, 0.0007909300000000 ] - [ -0.0001882100000000, -0.0000290300000000, 0.0004348400000000 ] - [ -0.0011279900000000, 0.0004861500000000, -0.0086598800000000 ] - [ 0.0021490000000000, -0.0019465500000000, -0.0104462100000000 ] - [ -0.0001359000000000, -0.0010178000000000, -0.0006082800000000 ] - [ 0.0008248300000000, -0.0009839600000000, 0.0013639500000000 ] - [ -0.0002388500000000, 0.0006529700000000, 0.0001973400000000 ] - [ 0.0001756800000000, 0.0011561100000000, 0.0000033900000000 ] - [ 0.0001756800000000, -0.0011561100000000, 0.0000033900000000 ] - [ -0.0002388500000000, -0.0006529700000000, 0.0001973400000000 ] - [ 0.0008248300000000, 0.0009839600000000, 0.0013639500000000 ] - [ -0.0001359000000000, 0.0010178000000000, -0.0006082800000000 ] - [ -0.0039822700000000, 0.0000000000000000, 0.0054300000000000 ] - [ -0.0038433000000000, 0.0000000000000000, 0.0047116800000000 ] - [ -0.0001380300000000, 0.0000000000000000, 0.0003743800000000 ] - [ -0.0000380900000000, 0.0000000000000000, -0.0007087100000000 ] - [ 0.0000443600000000, 0.0005385200000000, -0.0007128800000000 ] - [ -0.0007503500000000, 0.0002777600000000, -0.0015201600000000 ] - [ -0.0023319300000000, -0.0060394500000000, -0.0003656900000000 ] - [ 0.0005291600000000, 0.0005071600000000, 0.0050021900000000 ] - [ 0.0005291600000000, -0.0005071600000000, 0.0050021900000000 ] - [ -0.0023319300000000, 0.0060394500000000, -0.0003656900000000 ] - [ -0.0007503500000000, -0.0002777600000000, -0.0015201600000000 ] - [ 0.0000443600000000, -0.0005385200000000, -0.0007128800000000 ] - [ -0.0017706500000000, 0.0000000000000000, 0.0660537600000000 ] - [ 0.0022120300000000, 0.0000000000000000, -0.0002418000000000 ] - [ 0.0000342100000000, 0.0000000000000000, -0.0008964100000000 ] - [ 0.0001223300000000, 0.0000000000000000, 0.0001000900000000 ] - [ 0.0008094400000000, 0.0000000000000000, -0.0187632900000000 ] - [ -0.0012333400000000, 0.0000000000000000, 0.0011866900000000 ] - [ 0.0001159800000000, 0.0000000000000000, 0.0001045500000000 ] - [ 0.0000999300000000, 0.0000000000000000, -0.0005285200000000 ] - [ 0.0041108900000000, 0.0087333100000000, -0.0008348900000000 ] - [ 0.0013041400000000, 0.0022779800000000, -0.0019767300000000 ] - [ 0.0001233800000000, -0.0006142800000000, -0.0008844700000000 ] - [ -0.0000128700000000, -0.0009840100000000, 0.0004674400000000 ] - [ -0.0000128700000000, 0.0009840100000000, 0.0004674400000000 ] - [ 0.0001233800000000, 0.0006142800000000, -0.0008844700000000 ] - [ 0.0013041400000000, -0.0022779800000000, -0.0019767300000000 ] - [ 0.0041108900000000, -0.0087333100000000, -0.0008348900000000 ] - [ -0.0001320200000000, 0.0000000000000000, 0.0007587100000000 ] - [ -0.0000437700000000, 0.0000000000000000, -0.0002394300000000 ] - [ 0.0006550200000000, 0.0000000000000000, -0.0021155100000000 ] - [ -0.0012301600000000, 0.0000000000000000, -0.0115713500000000 ] - [ 0.0003542900000000, 0.0001947300000000, 0.0008797800000000 ] - [ 0.0002577700000000, 0.0001284200000000, 0.0003929700000000 ] - [ -0.0004196000000000, -0.0005242200000000, -0.0027505200000000 ] - [ -0.0001223400000000, -0.0005593700000000, -0.0025448300000000 ] - [ -0.0001223400000000, 0.0005593700000000, -0.0025448300000000 ] - [ -0.0004196000000000, 0.0005242200000000, -0.0027505200000000 ] - [ 0.0002577700000000, -0.0001284200000000, 0.0003929700000000 ] - [ 0.0003542900000000, -0.0001947300000000, 0.0008797800000000 ] - [ -0.0005316500000000, -0.0000366500000000, 0.0000482300000000 ] - [ -0.0000121200000000, 0.0000198300000000, -0.0000727900000000 ] - [ -0.0000215900000000, -0.0008933200000000, -0.0018320400000000 ] - [ -0.0010875500000000, -0.0014089100000000, -0.0026453100000000 ] - [ -0.0010875500000000, 0.0014089100000000, -0.0026453100000000 ] - [ -0.0000215900000000, 0.0008933200000000, -0.0018320400000000 ] - [ -0.0000121200000000, -0.0000198300000000, -0.0000727900000000 ] - [ -0.0005316500000000, 0.0000366500000000, 0.0000482300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002249300000000, 0.0001396400000000, 0.0000202100000000 ] - [ 0.0017767100000000, -0.0002790300000000, -0.0015915500000000 ] - [ 0.0000901700000000, -0.0001618800000000, 0.0002304200000000 ] - [ 0.0002615700000000, 0.0002367200000000, -0.0001785800000000 ] - [ 0.0002615700000000, -0.0002367200000000, -0.0001785800000000 ] - [ 0.0000901700000000, 0.0001618800000000, 0.0002304200000000 ] - [ 0.0017767100000000, 0.0002790300000000, -0.0015915500000000 ] - [ -0.0002249300000000, -0.0001396400000000, 0.0000202100000000 ] - [ 0.0009839900000000, 0.0000000000000000, 0.0003637400000000 ] - [ -0.0015730800000000, 0.0000000000000000, 0.0005660500000000 ] - [ 0.0003541100000000, 0.0000000000000000, 0.0002073500000000 ] - [ 0.0003179300000000, 0.0000000000000000, -0.0001317800000000 ] - [ 0.0010806900000000, -0.0007917600000000, -0.0020652800000000 ] - [ -0.0002367100000000, -0.0005750000000000, 0.0000847300000000 ] - [ 0.0002521000000000, -0.0001591700000000, 0.0002510200000000 ] - [ -0.0005973100000000, -0.0001437600000000, -0.0003517500000000 ] - [ -0.0005973100000000, 0.0001437600000000, -0.0003517500000000 ] - [ 0.0002521000000000, 0.0001591700000000, 0.0002510200000000 ] - [ -0.0002367100000000, 0.0005750000000000, 0.0000847300000000 ] - [ 0.0010806900000000, 0.0007917600000000, -0.0020652800000000 ] - [ -0.0001618600000000, 0.0005380000000000, 0.0005914700000000 ] - [ -0.0020276600000000, -0.0007831800000000, 0.0002619500000000 ] - [ 0.0002922600000000, -0.0005569900000000, 0.0000099000000000 ] - [ 0.0004616800000000, 0.0001116200000000, -0.0001441500000000 ] - [ 0.0004616800000000, -0.0001116200000000, -0.0001441500000000 ] - [ 0.0002922600000000, 0.0005569900000000, 0.0000099000000000 ] - [ -0.0020276600000000, 0.0007831800000000, 0.0002619500000000 ] - [ -0.0001618600000000, -0.0005380000000000, 0.0005914700000000 ] - [ 0.0053804500000000, 0.0000341700000000, -0.0014978700000000 ] - [ -0.0008167600000000, -0.0005866700000000, 0.0020245500000000 ] - [ -0.0002285100000000, -0.0001547600000000, -0.0001686300000000 ] - [ -0.0001128500000000, 0.0001302400000000, 0.0001007900000000 ] - [ -0.0001128500000000, -0.0001302400000000, 0.0001007900000000 ] - [ -0.0002285100000000, 0.0001547600000000, -0.0001686300000000 ] - [ -0.0008167600000000, 0.0005866700000000, 0.0020245500000000 ] - [ 0.0053804500000000, -0.0000341700000000, -0.0014978700000000 ] - [ 0.0000410500000000, -0.0000415700000000, -0.0000512900000000 ] - [ 0.0032828400000000, -0.0005800800000000, -0.0006975300000000 ] - [ -0.0001649500000000, 0.0007811900000000, 0.0000996300000000 ] - [ -0.0002255100000000, -0.0000226100000000, 0.0000546300000000 ] - [ -0.0002255100000000, 0.0000226100000000, 0.0000546300000000 ] - [ -0.0001649500000000, -0.0007811900000000, 0.0000996300000000 ] - [ 0.0032828400000000, 0.0005800800000000, -0.0006975300000000 ] - [ 0.0000410500000000, 0.0000415700000000, -0.0000512900000000 ] - [ 0.0001340400000000, 0.0000000000000000, 0.0005258500000000 ] - [ 0.0335146300000000, 0.0000000000000000, -0.0301712500000000 ] - [ 0.0000596600000000, 0.0000000000000000, 0.0003432900000000 ] - [ -0.0000289900000000, 0.0000000000000000, -0.0003540900000000 ] - [ -0.0006439800000000, -0.0003982400000000, 0.0004959600000000 ] - [ 0.0000557500000000, 0.0002635200000000, -0.0001126600000000 ] - [ -0.0014920700000000, 0.0049209600000000, -0.0023421800000000 ] - [ 0.0011596400000000, 0.0003595900000000, 0.0004944500000000 ] - [ 0.0011596400000000, -0.0003595900000000, 0.0004944500000000 ] - [ -0.0014920700000000, -0.0049209600000000, -0.0023421800000000 ] - [ 0.0000557500000000, -0.0002635200000000, -0.0001126600000000 ] - [ -0.0006439800000000, 0.0003982400000000, 0.0004959600000000 ] - [ -0.0043536800000000, 0.0000000000000000, -0.0012367800000000 ] - [ 0.0196955700000000, 0.0000000000000000, -0.0008069000000000 ] - [ 0.0000680400000000, 0.0000000000000000, -0.0003831800000000 ] - [ 0.0000415700000000, 0.0000000000000000, 0.0004006300000000 ] - [ -0.0876419900000000, 0.0000000000000000, 0.0366995300000000 ] - [ 0.0002481000000000, 0.0000000000000000, -0.0004210500000000 ] - [ 0.0001427900000000, 0.0000000000000000, 0.0002111700000000 ] - [ 0.0001139700000000, 0.0000000000000000, -0.0002023000000000 ] - [ -0.0003211400000000, 0.0000214700000000, -0.0005513100000000 ] - [ 0.0061185200000000, 0.0086237800000000, 0.0001020600000000 ] - [ -0.0003420500000000, 0.0002243700000000, -0.0005148500000000 ] - [ 0.0001356100000000, 0.0001837200000000, 0.0003407500000000 ] - [ 0.0001356100000000, -0.0001837200000000, 0.0003407500000000 ] - [ -0.0003420500000000, -0.0002243700000000, -0.0005148500000000 ] - [ 0.0061185200000000, -0.0086237800000000, 0.0001020600000000 ] - [ -0.0003211400000000, -0.0000214700000000, -0.0005513100000000 ] - [ -0.0001071300000000, 0.0000000000000000, 0.0004028900000000 ] - [ -0.0001101800000000, 0.0000000000000000, -0.0004081400000000 ] - [ 0.0157479900000000, 0.0000000000000000, 0.0043151000000000 ] - [ -0.0000588600000000, 0.0000000000000000, -0.0008081200000000 ] - [ 0.0003170700000000, 0.0002372500000000, 0.0000521200000000 ] - [ 0.0001996000000000, -0.0001733900000000, -0.0001226700000000 ] - [ -0.0017987300000000, -0.0039503800000000, -0.0041712400000000 ] - [ -0.0000749900000000, 0.0006104200000000, -0.0000518100000000 ] - [ -0.0000749900000000, -0.0006104200000000, -0.0000518100000000 ] - [ -0.0017987300000000, 0.0039503800000000, -0.0041712400000000 ] - [ 0.0001996000000000, 0.0001733900000000, -0.0001226700000000 ] - [ 0.0003170700000000, -0.0002372500000000, 0.0000521200000000 ] - [ -0.0001025200000000, 0.0001790900000000, -0.0003320000000000 ] - [ 0.0001851800000000, 0.0000062100000000, 0.0003442000000000 ] - [ -0.0005217700000000, 0.0032042600000000, 0.0045870600000000 ] - [ 0.0002291700000000, 0.0001481700000000, 0.0002434300000000 ] - [ 0.0002291700000000, -0.0001481700000000, 0.0002434300000000 ] - [ -0.0005217700000000, -0.0032042600000000, 0.0045870600000000 ] - [ 0.0001851800000000, -0.0000062100000000, 0.0003442000000000 ] - [ -0.0001025200000000, -0.0001790900000000, -0.0003320000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001538100000000, 0.0001949100000000, 0.0002660300000000 ] - [ -0.0018869600000000, -0.0002295900000000, 0.0013134200000000 ] - [ 0.0002858200000000, -0.0001666000000000, 0.0000711900000000 ] - [ 0.0001140000000000, 0.0000919300000000, -0.0001243200000000 ] - [ 0.0001140000000000, -0.0000919300000000, -0.0001243200000000 ] - [ 0.0002858200000000, 0.0001666000000000, 0.0000711900000000 ] - [ -0.0018869600000000, 0.0002295900000000, 0.0013134200000000 ] - [ -0.0001538100000000, -0.0001949100000000, 0.0002660300000000 ] - [ -0.0016582800000000, 0.0000000000000000, -0.0000204900000000 ] - [ 0.0008767000000000, 0.0000000000000000, -0.0009216600000000 ] - [ 0.0003316700000000, 0.0000000000000000, 0.0001347600000000 ] - [ 0.0003675300000000, 0.0000000000000000, -0.0002081600000000 ] - [ -0.0012293900000000, 0.0011379400000000, 0.0021768200000000 ] - [ 0.0000761000000000, 0.0002091300000000, -0.0002232500000000 ] - [ -0.0000913300000000, -0.0001995200000000, -0.0001200000000000 ] - [ 0.0007575700000000, 0.0005074000000000, 0.0002277500000000 ] - [ 0.0007575700000000, -0.0005074000000000, 0.0002277500000000 ] - [ -0.0000913300000000, 0.0001995200000000, -0.0001200000000000 ] - [ 0.0000761000000000, -0.0002091300000000, -0.0002232500000000 ] - [ -0.0012293900000000, -0.0011379400000000, 0.0021768200000000 ] - [ -0.0006090200000000, -0.0000596500000000, -0.0003741300000000 ] - [ 0.0012605000000000, 0.0003171400000000, -0.0004807000000000 ] - [ 0.0004834200000000, 0.0000810800000000, 0.0002106000000000 ] - [ 0.0003140300000000, 0.0003601400000000, -0.0000761700000000 ] - [ 0.0003140300000000, -0.0003601400000000, -0.0000761700000000 ] - [ 0.0004834200000000, -0.0000810800000000, 0.0002106000000000 ] - [ 0.0012605000000000, -0.0003171400000000, -0.0004807000000000 ] - [ -0.0006090200000000, 0.0000596500000000, -0.0003741300000000 ] - [ -0.0051967700000000, 0.0001718200000000, 0.0011327200000000 ] - [ 0.0011728100000000, 0.0002046900000000, -0.0018033300000000 ] - [ -0.0001098600000000, -0.0002043200000000, -0.0000258100000000 ] - [ -0.0002262000000000, 0.0002291100000000, 0.0000920700000000 ] - [ -0.0002262000000000, -0.0002291100000000, 0.0000920700000000 ] - [ -0.0001098600000000, 0.0002043200000000, -0.0000258100000000 ] - [ 0.0011728100000000, -0.0002046900000000, -0.0018033300000000 ] - [ -0.0051967700000000, -0.0001718200000000, 0.0011327200000000 ] - [ 0.0003249700000000, 0.0000358700000000, -0.0001614300000000 ] - [ -0.0029058000000000, 0.0005279100000000, 0.0009339600000000 ] - [ -0.0002034500000000, -0.0007841100000000, -0.0003082400000000 ] - [ -0.0001410300000000, 0.0000192400000000, 0.0001511300000000 ] - [ -0.0001410300000000, -0.0000192400000000, 0.0001511300000000 ] - [ -0.0002034500000000, 0.0007841100000000, -0.0003082400000000 ] - [ -0.0029058000000000, -0.0005279100000000, 0.0009339600000000 ] - [ 0.0003249700000000, -0.0000358700000000, -0.0001614300000000 ] - [ -0.0001052100000000, 0.0000000000000000, 0.0001168900000000 ] - [ -0.0345800500000000, 0.0000000000000000, 0.0309151500000000 ] - [ -0.0000876400000000, 0.0000000000000000, 0.0003054700000000 ] - [ 0.0000008000000000, 0.0000000000000000, -0.0002946900000000 ] - [ -0.0001518100000000, -0.0001886800000000, -0.0000527800000000 ] - [ -0.0008445500000000, 0.0003215900000000, -0.0003235400000000 ] - [ 0.0022310100000000, -0.0043548900000000, 0.0027810900000000 ] - [ -0.0003575000000000, -0.0009390900000000, -0.0009272800000000 ] - [ -0.0003575000000000, 0.0009390900000000, -0.0009272800000000 ] - [ 0.0022310100000000, 0.0043548900000000, 0.0027810900000000 ] - [ -0.0008445500000000, -0.0003215900000000, -0.0003235400000000 ] - [ -0.0001518100000000, 0.0001886800000000, -0.0000527800000000 ] - [ 0.0042145200000000, 0.0000000000000000, 0.0005937200000000 ] - [ -0.0197183900000000, 0.0000000000000000, 0.0014061800000000 ] - [ 0.0000439800000000, 0.0000000000000000, -0.0003904100000000 ] - [ 0.0000710900000000, 0.0000000000000000, 0.0003737400000000 ] - [ 0.0881394400000000, 0.0000000000000000, -0.0376516600000000 ] - [ -0.0004654400000000, 0.0000000000000000, 0.0001036000000000 ] - [ 0.0000820500000000, 0.0000000000000000, 0.0001078000000000 ] - [ 0.0001117100000000, 0.0000000000000000, -0.0001156300000000 ] - [ 0.0001353600000000, 0.0000716900000000, -0.0000475900000000 ] - [ -0.0062582600000000, -0.0087789900000000, 0.0004867000000000 ] - [ 0.0005213200000000, -0.0003195200000000, -0.0000907900000000 ] - [ 0.0000466000000000, -0.0000875800000000, 0.0002635800000000 ] - [ 0.0000466000000000, 0.0000875800000000, 0.0002635800000000 ] - [ 0.0005213200000000, 0.0003195200000000, -0.0000907900000000 ] - [ -0.0062582600000000, 0.0087789900000000, 0.0004867000000000 ] - [ 0.0001353600000000, -0.0000716900000000, -0.0000475900000000 ] - [ -0.0000866200000000, 0.0000000000000000, 0.0003614300000000 ] - [ -0.0000846500000000, 0.0000000000000000, -0.0003569200000000 ] - [ -0.0155144400000000, 0.0000000000000000, -0.0034196400000000 ] - [ 0.0002534600000000, 0.0000000000000000, 0.0000487600000000 ] - [ 0.0002288000000000, 0.0002725200000000, 0.0001578400000000 ] - [ 0.0003468800000000, -0.0003363500000000, -0.0000908900000000 ] - [ 0.0012680900000000, 0.0034402000000000, 0.0043773200000000 ] - [ -0.0004712500000000, -0.0001002600000000, -0.0001523100000000 ] - [ -0.0004712500000000, 0.0001002600000000, -0.0001523100000000 ] - [ 0.0012680900000000, -0.0034402000000000, 0.0043773200000000 ] - [ 0.0003468800000000, 0.0003363500000000, -0.0000908900000000 ] - [ 0.0002288000000000, -0.0002725200000000, 0.0001578400000000 ] - [ -0.0001303500000000, 0.0000874300000000, -0.0004101500000000 ] - [ -0.0004205500000000, -0.0002724600000000, 0.0003996400000000 ] - [ 0.0007227100000000, -0.0034416300000000, -0.0052999900000000 ] - [ 0.0000018100000000, 0.0001232400000000, 0.0005067200000000 ] - [ 0.0000018100000000, -0.0001232400000000, 0.0005067200000000 ] - [ 0.0007227100000000, 0.0034416300000000, -0.0052999900000000 ] - [ -0.0004205500000000, 0.0002724600000000, 0.0003996400000000 ] - [ -0.0001303500000000, -0.0000874300000000, -0.0004101500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002743100000000, 0.0010432500000000, 0.0004138700000000 ] - [ -0.0031300100000000, 0.0055874600000000, -0.0011405400000000 ] - [ 0.0000578300000000, -0.0016411600000000, -0.0003677500000000 ] - [ -0.0000515000000000, -0.0008358300000000, -0.0005301800000000 ] - [ 0.0004293400000000, -0.0011693200000000, 0.0002432600000000 ] - [ 0.0003196200000000, -0.0013088700000000, 0.0006550600000000 ] - [ 0.0029444800000000, 0.0060438300000000, 0.0008862200000000 ] - [ -0.0001040300000000, 0.0007066500000000, -0.0001246300000000 ] - [ -0.0003431400000000, 0.0030675800000000, 0.0001908800000000 ] - [ -0.0003454500000000, 0.0020908000000000, -0.0001606100000000 ] - [ 0.0003439500000000, -0.0014218900000000, 0.0001723000000000 ] - [ 0.0003436800000000, -0.0015935500000000, -0.0001702000000000 ] - [ 0.0000909600000000, -0.0008915500000000, -0.0018140100000000 ] - [ -0.0000316000000000, -0.0001215600000000, 0.0006016600000000 ] - [ 0.0004512000000000, -0.0013432100000000, 0.0015578000000000 ] - [ 0.0003056300000000, -0.0014768800000000, -0.0005106000000000 ] - [ -0.0001544800000000, -0.0018369200000000, 0.0003920300000000 ] - [ -0.0002870400000000, -0.0009809600000000, -0.0014220600000000 ] - [ -0.0001288500000000, 0.0002432200000000, -0.0007258800000000 ] - [ -0.0002513200000000, -0.0012537700000000, 0.0019343100000000 ] - [ -0.0003756100000000, 0.0006258500000000, -0.0000938700000000 ] - [ 0.0015747500000000, 0.0011124900000000, 0.0020396400000000 ] - [ 0.0005171200000000, -0.0021626400000000, 0.0003134800000000 ] - [ 0.0004501800000000, -0.0005390400000000, -0.0003314300000000 ] - [ 0.0003307100000000, -0.0010082600000000, 0.0001079000000000 ] - [ 0.0002636600000000, -0.0016826100000000, -0.0000919200000000 ] - [ -0.0023755000000000, 0.0016031200000000, -0.0022761100000000 ] - [ -0.0004054500000000, 0.0001494200000000, 0.0003257600000000 ] - [ -0.0000996100000000, 0.0052556000000000, -0.0036727400000000 ] - [ -0.0007550600000000, 0.0021446700000000, 0.0019135400000000 ] - [ -0.0002905800000000, -0.0013827400000000, 0.0001994400000000 ] - [ 0.0000576300000000, -0.0012993200000000, -0.0005791800000000 ] - [ -0.0003948900000000, -0.0016636000000000, 0.0007695700000000 ] - [ -0.0000470800000000, -0.0010175100000000, -0.0003935700000000 ] - [ 0.0010828800000000, 0.0024968100000000, -0.0017124800000000 ] - [ 0.0003340400000000, 0.0050251300000000, 0.0033406500000000 ] - [ 0.0002074800000000, 0.0001860000000000, 0.0002568100000000 ] - [ 0.0021043900000000, -0.0049388400000000, 0.0037359500000000 ] - [ 0.0001278200000000, -0.0016081300000000, -0.0001601900000000 ] - [ -0.0000400500000000, -0.0002237500000000, 0.0001200100000000 ] - [ -0.0003362100000000, -0.0002146700000000, 0.0000933000000000 ] - [ -0.0005035800000000, -0.0016134600000000, -0.0000539300000000 ] - [ -0.0017455200000000, -0.0048105100000000, -0.0035119900000000 ] - [ 0.0001700700000000, 0.0001920100000000, -0.0004680400000000 ] - [ 0.0000171200000000, 0.0009224800000000, 0.0003272400000000 ] - [ 0.0000719400000000, 0.0073430200000000, -0.0003620700000000 ] - [ -0.0000146800000000, -0.0016187300000000, 0.0003229400000000 ] - [ -0.0000153300000000, -0.0008217300000000, -0.0003227000000000 ] - [ -0.0006021500000000, 0.0003820600000000, 0.0009968000000000 ] - [ -0.0007978200000000, 0.0018416200000000, -0.0013607700000000 ] - [ 0.0042341000000000, 0.0094874100000000, -0.0064964600000000 ] - [ 0.0009653800000000, 0.0006452000000000, 0.0017979700000000 ] - [ -0.0001623200000000, 0.0012180300000000, -0.0022517900000000 ] - [ -0.0033841900000000, 0.0088295000000000, 0.0068700400000000 ] - [ -0.0000061600000000, 0.0012628500000000, 0.0009178800000000 ] - [ -0.0002039600000000, 0.0009646500000000, -0.0005485200000000 ] - [ -0.0000610000000000, -0.0067217800000000, -0.0003664700000000 ] - [ -0.0000356700000000, -0.0082512900000000, 0.0004056000000000 ] - [ 0.0000567100000000, 0.0018778800000000, -0.0003874400000000 ] - [ 0.0000561500000000, 0.0013364400000000, 0.0003877400000000 ] - [ -0.0002514400000000, -0.0393080300000000, 0.0002690200000000 ] - [ -0.0001155600000000, -0.0015395400000000, -0.0001617500000000 ] - [ 0.0001169100000000, 0.0009577000000000, 0.0001604800000000 ] - [ 0.0001160200000000, 0.0018895900000000, -0.0001600500000000 ] - [ -0.0000824000000000, -0.0003134900000000, -0.0010713100000000 ] - [ 0.0076947700000000, 0.0066237400000000, -0.0001351000000000 ] - [ -0.0000825800000000, 0.0026866800000000, 0.0003253600000000 ] - [ 0.0001671000000000, 0.0004782100000000, 0.0003003300000000 ] - [ 0.0000268200000000, 0.0003988000000000, 0.0003071900000000 ] - [ 0.0002773800000000, 0.0027558000000000, -0.0009278000000000 ] - [ -0.0079706800000000, 0.0067253500000000, 0.0007563400000000 ] - [ -0.0001111900000000, -0.0003858000000000, 0.0004568200000000 ] - [ -0.0001027500000000, 0.0011825700000000, 0.0003839700000000 ] - [ -0.0001028600000000, 0.0023313900000000, -0.0003839700000000 ] - [ 0.0001056900000000, -0.0060610800000000, 0.0003638100000000 ] - [ 0.0001024200000000, -0.0012231300000000, -0.0003898900000000 ] - [ 0.0003190500000000, 0.0016236500000000, -0.0003582600000000 ] - [ 0.0002815000000000, 0.0014920500000000, 0.0003877800000000 ] - [ -0.0015014200000000, -0.0018286600000000, 0.0047828100000000 ] - [ -0.0002542700000000, -0.0010845000000000, -0.0009728100000000 ] - [ -0.0002962300000000, -0.0016364800000000, 0.0007491600000000 ] - [ 0.0009454700000000, -0.0012378500000000, -0.0045759100000000 ] - [ 0.0002668400000000, 0.0020332600000000, -0.0006085500000000 ] - [ 0.0002306800000000, 0.0010833000000000, 0.0005721200000000 ] - [ -0.0002294200000000, 0.0004985300000000, -0.0010171500000000 ] - [ 0.0003698400000000, 0.0000848500000000, -0.0004101000000000 ] - [ 0.0055140400000000, 0.0024485200000000, 0.0051955000000000 ] - [ 0.0000665600000000, 0.0000466800000000, 0.0001170300000000 ] - [ 0.0001649000000000, -0.0002146400000000, 0.0006172700000000 ] - [ -0.0052224900000000, 0.0026806200000000, -0.0058821700000000 ] - [ -0.0005989300000000, 0.0003457900000000, 0.0011506800000000 ] - [ 0.0000015800000000, 0.0002351200000000, 0.0002775900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006917600000000, 0.0011523200000000, -0.0022903800000000 ] - [ 0.0011747700000000, -0.0020282000000000, 0.0055884200000000 ] - [ 0.0000029400000000, -0.0001579800000000, 0.0006183800000000 ] - [ 0.0000935400000000, -0.0000041500000000, -0.0007233900000000 ] - [ 0.0000935400000000, 0.0000041500000000, -0.0007233900000000 ] - [ 0.0000029400000000, 0.0001579800000000, 0.0006183800000000 ] - [ 0.0011747700000000, 0.0020282000000000, 0.0055884200000000 ] - [ -0.0006917600000000, -0.0011523200000000, -0.0022903800000000 ] - [ -0.0016499000000000, 0.0000000000000000, -0.0064952100000000 ] - [ 0.0002896700000000, 0.0000000000000000, -0.0030032700000000 ] - [ 0.0003240600000000, 0.0000000000000000, 0.0003212400000000 ] - [ 0.0003260700000000, 0.0000000000000000, 0.0000537300000000 ] - [ -0.0005747300000000, -0.0003322800000000, 0.0002616900000000 ] - [ -0.0002374100000000, 0.0000251100000000, -0.0014635300000000 ] - [ 0.0001317700000000, 0.0008215700000000, -0.0006304000000000 ] - [ 0.0005043200000000, -0.0004290700000000, 0.0011203100000000 ] - [ 0.0005043200000000, 0.0004290700000000, 0.0011203100000000 ] - [ 0.0001317700000000, -0.0008215700000000, -0.0006304000000000 ] - [ -0.0002374100000000, -0.0000251100000000, -0.0014635300000000 ] - [ -0.0005747300000000, 0.0003322800000000, 0.0002616900000000 ] - [ -0.0001462800000000, -0.0003571600000000, -0.0014926700000000 ] - [ -0.0001199400000000, 0.0014009300000000, 0.0000196500000000 ] - [ 0.0005246300000000, 0.0003991600000000, 0.0008525700000000 ] - [ 0.0004302800000000, -0.0002988800000000, -0.0003147800000000 ] - [ 0.0004302800000000, 0.0002988800000000, -0.0003147800000000 ] - [ 0.0005246300000000, -0.0003991600000000, 0.0008525700000000 ] - [ -0.0001199400000000, -0.0014009300000000, 0.0000196500000000 ] - [ -0.0001462800000000, 0.0003571600000000, -0.0014926700000000 ] - [ -0.0012315100000000, -0.0030315100000000, 0.0033047900000000 ] - [ 0.0019916600000000, 0.0018629900000000, -0.0023244500000000 ] - [ -0.0001441700000000, 0.0000120600000000, -0.0005024600000000 ] - [ -0.0001439600000000, -0.0000817600000000, -0.0001655400000000 ] - [ -0.0001439600000000, 0.0000817600000000, -0.0001655400000000 ] - [ -0.0001441700000000, -0.0000120600000000, -0.0005024600000000 ] - [ 0.0019916600000000, -0.0018629900000000, -0.0023244500000000 ] - [ -0.0012315100000000, 0.0030315100000000, 0.0033047900000000 ] - [ 0.0006122400000000, -0.0000080600000000, -0.0014049200000000 ] - [ -0.0001976700000000, 0.0032145200000000, 0.0034365800000000 ] - [ 0.0001595800000000, -0.0002703600000000, 0.0002248400000000 ] - [ -0.0000590900000000, -0.0002039900000000, -0.0002350000000000 ] - [ -0.0000590900000000, 0.0002039900000000, -0.0002350000000000 ] - [ 0.0001595800000000, 0.0002703600000000, 0.0002248400000000 ] - [ -0.0001976700000000, -0.0032145200000000, 0.0034365800000000 ] - [ 0.0006122400000000, 0.0000080600000000, -0.0014049200000000 ] - [ -0.0008131400000000, 0.0000000000000000, -0.0026107800000000 ] - [ -0.0360509100000000, 0.0000000000000000, 0.0415905200000000 ] - [ -0.0000505100000000, 0.0000000000000000, 0.0007453700000000 ] - [ -0.0001078200000000, 0.0000000000000000, -0.0005405200000000 ] - [ -0.0004954300000000, 0.0002294500000000, 0.0010118200000000 ] - [ -0.0002520100000000, -0.0007098300000000, 0.0000886100000000 ] - [ -0.0021659700000000, -0.0071168400000000, -0.0011034200000000 ] - [ 0.0010760500000000, 0.0020766800000000, 0.0014425300000000 ] - [ 0.0010760500000000, -0.0020766800000000, 0.0014425300000000 ] - [ -0.0021659700000000, 0.0071168400000000, -0.0011034200000000 ] - [ -0.0002520100000000, 0.0007098300000000, 0.0000886100000000 ] - [ -0.0004954300000000, -0.0002294500000000, 0.0010118200000000 ] - [ -0.0003521800000000, 0.0000000000000000, 0.0185142300000000 ] - [ -0.0011522100000000, 0.0000000000000000, -0.0008846500000000 ] - [ 0.0001441600000000, 0.0000000000000000, -0.0003333600000000 ] - [ 0.0000816000000000, 0.0000000000000000, 0.0007524700000000 ] - [ 0.0378367500000000, 0.0000000000000000, -0.0829200900000000 ] - [ 0.0001499500000000, 0.0000000000000000, 0.0023273100000000 ] - [ 0.0000608900000000, 0.0000000000000000, 0.0004817500000000 ] - [ 0.0000694500000000, 0.0000000000000000, -0.0003212300000000 ] - [ -0.0000242200000000, -0.0007682000000000, 0.0015631900000000 ] - [ -0.0003153200000000, -0.0011163200000000, -0.0056979400000000 ] - [ -0.0000326300000000, 0.0009600600000000, -0.0006062200000000 ] - [ 0.0001079000000000, 0.0000453100000000, 0.0008660600000000 ] - [ 0.0001079000000000, -0.0000453100000000, 0.0008660600000000 ] - [ -0.0000326300000000, -0.0009600600000000, -0.0006062200000000 ] - [ -0.0003153200000000, 0.0011163200000000, -0.0056979400000000 ] - [ -0.0000242200000000, 0.0007682000000000, 0.0015631900000000 ] - [ -0.0000307700000000, 0.0000000000000000, 0.0004046900000000 ] - [ -0.0000932800000000, 0.0000000000000000, -0.0006747300000000 ] - [ 0.0005472500000000, 0.0000000000000000, 0.0034116100000000 ] - [ 0.0000408300000000, 0.0000000000000000, 0.0025534400000000 ] - [ 0.0002360300000000, -0.0000722200000000, 0.0000352900000000 ] - [ 0.0003313100000000, 0.0000189500000000, -0.0005524400000000 ] - [ -0.0020537000000000, 0.0060731300000000, 0.0081011400000000 ] - [ 0.0000817600000000, -0.0010297300000000, 0.0019509500000000 ] - [ 0.0000817600000000, 0.0010297300000000, 0.0019509500000000 ] - [ -0.0020537000000000, -0.0060731300000000, 0.0081011400000000 ] - [ 0.0003313100000000, -0.0000189500000000, -0.0005524400000000 ] - [ 0.0002360300000000, 0.0000722200000000, 0.0000352900000000 ] - [ -0.0000746700000000, -0.0001463500000000, 0.0001889100000000 ] - [ -0.0003761700000000, 0.0001835400000000, -0.0002093400000000 ] - [ 0.0024021100000000, 0.0006695800000000, 0.0006786100000000 ] - [ -0.0003092200000000, 0.0008933100000000, 0.0016762800000000 ] - [ -0.0003092200000000, -0.0008933100000000, 0.0016762800000000 ] - [ 0.0024021100000000, -0.0006695800000000, 0.0006786100000000 ] - [ -0.0003761700000000, -0.0001835400000000, -0.0002093400000000 ] - [ -0.0000746700000000, 0.0001463500000000, 0.0001889100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003242600000000, -0.0008394700000000, 0.0026058500000000 ] - [ -0.0014612100000000, 0.0016103000000000, -0.0058756400000000 ] - [ 0.0003742400000000, -0.0001696200000000, -0.0003183700000000 ] - [ 0.0002808000000000, 0.0003334600000000, 0.0004251800000000 ] - [ 0.0002808000000000, -0.0003334600000000, 0.0004251800000000 ] - [ 0.0003742400000000, 0.0001696200000000, -0.0003183700000000 ] - [ -0.0014612100000000, -0.0016103000000000, -0.0058756400000000 ] - [ 0.0003242600000000, 0.0008394700000000, 0.0026058500000000 ] - [ 0.0009346100000000, 0.0000000000000000, 0.0068017500000000 ] - [ -0.0009637200000000, 0.0000000000000000, 0.0026656000000000 ] - [ 0.0003621700000000, 0.0000000000000000, 0.0000177600000000 ] - [ 0.0003594400000000, 0.0000000000000000, -0.0003987300000000 ] - [ 0.0004035800000000, 0.0007033200000000, -0.0001015100000000 ] - [ 0.0000815600000000, -0.0003783300000000, 0.0013363700000000 ] - [ 0.0000252500000000, -0.0011900700000000, 0.0007613300000000 ] - [ -0.0003452100000000, 0.0007926600000000, -0.0012629900000000 ] - [ -0.0003452100000000, -0.0007926600000000, -0.0012629900000000 ] - [ 0.0000252500000000, 0.0011900700000000, 0.0007613300000000 ] - [ 0.0000815600000000, 0.0003783300000000, 0.0013363700000000 ] - [ 0.0004035800000000, -0.0007033200000000, -0.0001015100000000 ] - [ -0.0006291800000000, 0.0008293300000000, 0.0017127600000000 ] - [ -0.0006364100000000, -0.0018768000000000, -0.0002271800000000 ] - [ 0.0002481800000000, -0.0008790600000000, -0.0006386200000000 ] - [ 0.0003440900000000, 0.0007793300000000, 0.0000948300000000 ] - [ 0.0003440900000000, -0.0007793300000000, 0.0000948300000000 ] - [ 0.0002481800000000, 0.0008790600000000, -0.0006386200000000 ] - [ -0.0006364100000000, 0.0018768000000000, -0.0002271800000000 ] - [ -0.0006291800000000, -0.0008293300000000, 0.0017127600000000 ] - [ 0.0014575400000000, 0.0032773500000000, -0.0036623000000000 ] - [ -0.0016812500000000, -0.0022440200000000, 0.0025188900000000 ] - [ -0.0001936100000000, -0.0003718200000000, 0.0003148200000000 ] - [ -0.0001951600000000, 0.0004427500000000, 0.0003632000000000 ] - [ -0.0001951600000000, -0.0004427500000000, 0.0003632000000000 ] - [ -0.0001936100000000, 0.0003718200000000, 0.0003148200000000 ] - [ -0.0016812500000000, 0.0022440200000000, 0.0025188900000000 ] - [ 0.0014575400000000, -0.0032773500000000, -0.0036623000000000 ] - [ -0.0002476600000000, 0.0000000200000000, 0.0011989800000000 ] - [ 0.0005567600000000, -0.0032649300000000, -0.0031913900000000 ] - [ -0.0005299100000000, 0.0002784500000000, -0.0004325300000000 ] - [ -0.0003060700000000, 0.0002042700000000, 0.0004433400000000 ] - [ -0.0003060700000000, -0.0002042700000000, 0.0004433400000000 ] - [ -0.0005299100000000, -0.0002784500000000, -0.0004325300000000 ] - [ 0.0005567600000000, 0.0032649300000000, -0.0031913900000000 ] - [ -0.0002476600000000, -0.0000000200000000, 0.0011989800000000 ] - [ 0.0008394300000000, 0.0000000000000000, 0.0032655100000000 ] - [ 0.0346829000000000, 0.0000000000000000, -0.0412702000000000 ] - [ 0.0000230800000000, 0.0000000000000000, -0.0001002200000000 ] - [ 0.0000811500000000, 0.0000000000000000, -0.0001075900000000 ] - [ -0.0002937700000000, -0.0008145300000000, -0.0005818600000000 ] - [ -0.0005450100000000, 0.0013005000000000, -0.0005349500000000 ] - [ 0.0029746400000000, 0.0077169100000000, 0.0016005800000000 ] - [ -0.0002918400000000, -0.0026880900000000, -0.0018852200000000 ] - [ -0.0002918400000000, 0.0026880900000000, -0.0018852200000000 ] - [ 0.0029746400000000, -0.0077169100000000, 0.0016005800000000 ] - [ -0.0005450100000000, -0.0013005000000000, -0.0005349500000000 ] - [ -0.0002937700000000, 0.0008145300000000, -0.0005818600000000 ] - [ 0.0002393100000000, 0.0000000000000000, -0.0195983000000000 ] - [ 0.0010157300000000, 0.0000000000000000, 0.0017335300000000 ] - [ -0.0000326000000000, 0.0000000000000000, -0.0004425500000000 ] - [ 0.0000325600000000, 0.0000000000000000, 0.0000157400000000 ] - [ -0.0365178800000000, 0.0000000000000000, 0.0826326800000000 ] - [ -0.0003749200000000, 0.0000000000000000, -0.0026516800000000 ] - [ 0.0001643800000000, 0.0000000000000000, -0.0001660000000000 ] - [ 0.0001562700000000, 0.0000000000000000, 0.0000025400000000 ] - [ -0.0001567300000000, 0.0008754100000000, -0.0021702000000000 ] - [ 0.0001480700000000, 0.0010464300000000, 0.0063062500000000 ] - [ 0.0002153100000000, -0.0010641400000000, 0.0000039500000000 ] - [ 0.0000725700000000, 0.0000442500000000, -0.0002663000000000 ] - [ 0.0000725700000000, -0.0000442500000000, -0.0002663000000000 ] - [ 0.0002153100000000, 0.0010641400000000, 0.0000039500000000 ] - [ 0.0001480700000000, -0.0010464300000000, 0.0063062500000000 ] - [ -0.0001567300000000, -0.0008754100000000, -0.0021702000000000 ] - [ -0.0001640300000000, 0.0000000000000000, 0.0003612100000000 ] - [ -0.0001011200000000, 0.0000000000000000, -0.0000867500000000 ] - [ -0.0003851600000000, 0.0000000000000000, -0.0026896900000000 ] - [ 0.0001486300000000, 0.0000000000000000, -0.0033195800000000 ] - [ 0.0003101000000000, 0.0005853500000000, 0.0001795900000000 ] - [ 0.0002141000000000, -0.0005304600000000, 0.0003464100000000 ] - [ 0.0014888700000000, -0.0065121500000000, -0.0078355900000000 ] - [ -0.0006239700000000, 0.0015302000000000, -0.0021718300000000 ] - [ -0.0006239700000000, -0.0015302000000000, -0.0021718300000000 ] - [ 0.0014888700000000, 0.0065121500000000, -0.0078355900000000 ] - [ 0.0002141000000000, 0.0005304600000000, 0.0003464100000000 ] - [ 0.0003101000000000, -0.0005853500000000, 0.0001795900000000 ] - [ -0.0001592600000000, 0.0004141200000000, -0.0009358800000000 ] - [ 0.0001460000000000, -0.0004519200000000, 0.0009570000000000 ] - [ -0.0021596500000000, -0.0009445000000000, -0.0014716700000000 ] - [ 0.0005398700000000, -0.0006287300000000, -0.0009378300000000 ] - [ 0.0005398700000000, 0.0006287300000000, -0.0009378300000000 ] - [ -0.0021596500000000, 0.0009445000000000, -0.0014716700000000 ] - [ 0.0001460000000000, 0.0004519200000000, 0.0009570000000000 ] - [ -0.0001592600000000, -0.0004141200000000, -0.0009358800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0099067600000000, 0.0059906800000000, -0.0013228600000000 ] - [ -0.0000949700000000, 0.0000133400000000, -0.0003492200000000 ] - [ 0.0001945500000000, -0.0002056700000000, -0.0000373000000000 ] - [ 0.0002120900000000, 0.0004263100000000, -0.0001103500000000 ] - [ -0.0010693300000000, 0.0007876600000000, -0.0018311600000000 ] - [ 0.0001878500000000, 0.0002537700000000, 0.0001404200000000 ] - [ -0.0000394500000000, -0.0001463800000000, -0.0005580800000000 ] - [ -0.0008964000000000, -0.0004269200000000, 0.0002203500000000 ] - [ 0.0004777500000000, 0.0002926900000000, 0.0000904600000000 ] - [ -0.0012438500000000, 0.0000643100000000, -0.0002185000000000 ] - [ 0.0005762200000000, 0.0004147500000000, 0.0004518000000000 ] - [ 0.0002504500000000, 0.0001724500000000, -0.0000283100000000 ] - [ 0.0001871100000000, -0.0001862800000000, -0.0001462000000000 ] - [ -0.0001182700000000, -0.0000508600000000, -0.0000934800000000 ] - [ 0.0041401600000000, -0.0014349100000000, -0.0021997300000000 ] - [ 0.0000634500000000, 0.0003130200000000, -0.0000978600000000 ] - [ -0.0000524400000000, -0.0007704300000000, -0.0007241500000000 ] - [ 0.0001465900000000, 0.0003848800000000, 0.0000951300000000 ] - [ -0.0023771800000000, 0.0023828000000000, -0.0021939400000000 ] - [ -0.0000384600000000, -0.0000268400000000, 0.0000145300000000 ] - [ -0.0008307600000000, 0.0004467900000000, 0.0059593600000000 ] - [ -0.0004284600000000, -0.0001622200000000, -0.0000225500000000 ] - [ 0.0005562800000000, -0.0004686700000000, 0.0003362300000000 ] - [ 0.0003961700000000, 0.0004529300000000, -0.0001312300000000 ] - [ -0.0013149300000000, -0.0011828100000000, -0.0005620000000000 ] - [ 0.0004065600000000, 0.0003644400000000, 0.0001376300000000 ] - [ -0.0006471100000000, -0.0000351900000000, 0.0000850300000000 ] - [ -0.0002130600000000, -0.0005192200000000, 0.0002412700000000 ] - [ -0.0005465900000000, -0.0000540200000000, 0.0003677300000000 ] - [ 0.0047637100000000, -0.0007394900000000, 0.0007470700000000 ] - [ -0.0002020200000000, -0.0000498600000000, -0.0001341800000000 ] - [ -0.0002191700000000, 0.0004010800000000, -0.0002406700000000 ] - [ -0.0001028900000000, -0.0000333300000000, 0.0000366400000000 ] - [ 0.0003095100000000, -0.0000174500000000, 0.0005274300000000 ] - [ 0.0008813900000000, 0.0010153600000000, -0.0002009900000000 ] - [ -0.0012231200000000, -0.0001307100000000, 0.0011278100000000 ] - [ 0.0250141900000000, 0.0000914300000000, -0.0086273400000000 ] - [ 0.0002241400000000, 0.0000515500000000, 0.0001039400000000 ] - [ -0.0001352700000000, -0.0000888400000000, -0.0001327900000000 ] - [ -0.0001409600000000, 0.0001570000000000, 0.0000996100000000 ] - [ 0.0034810800000000, 0.0004085200000000, 0.0008169400000000 ] - [ -0.0001800000000000, 0.0000667300000000, -0.0000845500000000 ] - [ 0.0002479000000000, -0.0000059300000000, -0.0000501300000000 ] - [ 0.0000382900000000, 0.0004650000000000, -0.0000306100000000 ] - [ 0.0029303100000000, 0.0028194500000000, 0.0015357700000000 ] - [ -0.0000436100000000, -0.0001106700000000, -0.0004494100000000 ] - [ 0.0000168400000000, 0.0000786000000000, 0.0004274400000000 ] - [ -0.0000246600000000, -0.0001100600000000, -0.0004996800000000 ] - [ -0.0013525200000000, -0.0015400000000000, 0.0019895600000000 ] - [ -0.0003773700000000, 0.0001175200000000, -0.0002231200000000 ] - [ -0.0026295400000000, 0.0017890400000000, -0.0001915600000000 ] - [ 0.0005985100000000, -0.0006302500000000, -0.0001151000000000 ] - [ 0.0178768800000000, 0.0007736100000000, 0.0021497600000000 ] - [ 0.0002993700000000, -0.0004951500000000, 0.0003003900000000 ] - [ -0.0000268500000000, -0.0003205700000000, -0.0000276900000000 ] - [ -0.0004140200000000, 0.0001074300000000, 0.0002508300000000 ] - [ -0.0016441600000000, 0.0056399400000000, -0.0045731400000000 ] - [ 0.0009931100000000, -0.0011700800000000, 0.0017852100000000 ] - [ -0.0000223300000000, -0.0000474300000000, -0.0003539300000000 ] - [ 0.0003423800000000, -0.0002147700000000, 0.0004909700000000 ] - [ -0.0003446200000000, 0.0000147200000000, 0.0002262200000000 ] - [ 0.0060623100000000, -0.0078758700000000, 0.0000766800000000 ] - [ -0.0003155900000000, -0.0001870400000000, 0.0002875300000000 ] - [ 0.0001618200000000, -0.0000705900000000, -0.0001441000000000 ] - [ -0.0934929800000000, -0.0023172600000000, 0.0019244700000000 ] - [ -0.0000376900000000, -0.0002157200000000, 0.0003237300000000 ] - [ 0.0000043300000000, 0.0000896200000000, -0.0002115600000000 ] - [ 0.0001249600000000, -0.0001702400000000, 0.0003028500000000 ] - [ 0.0043714600000000, 0.0072857100000000, -0.0032604400000000 ] - [ 0.0000637400000000, -0.0000884300000000, -0.0003149200000000 ] - [ 0.0001496200000000, 0.0001528600000000, 0.0005072000000000 ] - [ -0.0004393100000000, -0.0004035200000000, -0.0002454600000000 ] - [ 0.0004762800000000, -0.0008204700000000, 0.0002692500000000 ] - [ -0.0001510600000000, -0.0000472100000000, -0.0005175900000000 ] - [ 0.0001650200000000, -0.0000761500000000, 0.0002623300000000 ] - [ -0.0004618200000000, 0.0039084500000000, 0.0024579300000000 ] - [ -0.0007539400000000, 0.0014158300000000, 0.0006029600000000 ] - [ 0.0002981200000000, -0.0004678000000000, -0.0001811100000000 ] - [ -0.0002603900000000, 0.0001717800000000, 0.0007044200000000 ] - [ -0.0002044700000000, -0.0001065500000000, -0.0005306000000000 ] - [ -0.0002119500000000, -0.0019547200000000, -0.0059563300000000 ] - [ -0.0002666000000000, 0.0002959800000000, 0.0002016200000000 ] - [ 0.0006217000000000, 0.0000648000000000, -0.0007048100000000 ] - [ 0.0002479800000000, -0.0005006700000000, 0.0001297700000000 ] - [ 0.0052213200000000, -0.0092412100000000, 0.0017720700000000 ] - [ -0.0001455700000000, -0.0001413600000000, 0.0004098200000000 ] - [ 0.0000326500000000, 0.0000017000000000, -0.0002447500000000 ] - [ 0.0002591600000000, 0.0001092800000000, 0.0003678000000000 ] - [ 0.0221985400000000, -0.0044062500000000, 0.0076277400000000 ] - [ 0.0000955800000000, 0.0000863400000000, -0.0002837800000000 ] - [ -0.0003268200000000, 0.0003031600000000, 0.0006410300000000 ] - [ -0.0002116300000000, -0.0001772200000000, -0.0004674900000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0110919400000000, -0.0060812400000000, 0.0015789800000000 ] - [ -0.0002849800000000, -0.0003475400000000, 0.0000636400000000 ] - [ 0.0001869600000000, -0.0001313100000000, 0.0003261700000000 ] - [ 0.0001639000000000, -0.0000922500000000, -0.0001810600000000 ] - [ 0.0014301400000000, -0.0011185200000000, 0.0015291500000000 ] - [ 0.0001902900000000, 0.0000795400000000, 0.0001503500000000 ] - [ -0.0003378400000000, 0.0004787200000000, 0.0002780000000000 ] - [ 0.0005124600000000, 0.0000998800000000, 0.0000664200000000 ] - [ -0.0011604800000000, -0.0002893200000000, 0.0002539200000000 ] - [ 0.0005567300000000, -0.0000573000000000, -0.0001144900000000 ] - [ 0.0001081500000000, -0.0004073000000000, -0.0001118900000000 ] - [ 0.0004365100000000, -0.0001656500000000, -0.0003072800000000 ] - [ -0.0003429700000000, 0.0005419900000000, 0.0002725300000000 ] - [ -0.0000390400000000, -0.0003016900000000, -0.0000293600000000 ] - [ -0.0040958900000000, 0.0012571300000000, 0.0024660900000000 ] - [ 0.0000950600000000, 0.0000464800000000, -0.0000287800000000 ] - [ 0.0002187800000000, 0.0004064700000000, 0.0005962900000000 ] - [ 0.0000152600000000, -0.0000196500000000, 0.0000379400000000 ] - [ 0.0022126800000000, -0.0020485800000000, 0.0021038400000000 ] - [ -0.0001215500000000, -0.0003297500000000, 0.0001144300000000 ] - [ 0.0000338800000000, 0.0000213200000000, -0.0058934500000000 ] - [ -0.0003516500000000, -0.0003091700000000, -0.0002006100000000 ] - [ 0.0002313000000000, -0.0000026000000000, -0.0001034800000000 ] - [ 0.0003805300000000, 0.0000218500000000, -0.0000916200000000 ] - [ 0.0020627300000000, 0.0006818900000000, 0.0003380700000000 ] - [ 0.0003769300000000, 0.0001111200000000, 0.0000866500000000 ] - [ -0.0001353000000000, 0.0005069200000000, -0.0003056600000000 ] - [ -0.0005732100000000, 0.0000520800000000, -0.0000143400000000 ] - [ 0.0008855400000000, 0.0004153500000000, -0.0005616100000000 ] - [ -0.0043334300000000, 0.0002843600000000, -0.0004167800000000 ] - [ -0.0001350000000000, -0.0003112700000000, -0.0000598200000000 ] - [ -0.0001218300000000, -0.0000383200000000, 0.0004302800000000 ] - [ -0.0002338900000000, -0.0003285000000000, 0.0001556500000000 ] - [ -0.0006362800000000, 0.0003752700000000, -0.0007188200000000 ] - [ -0.0005415600000000, -0.0006513800000000, 0.0003888600000000 ] - [ 0.0015463700000000, -0.0002160300000000, -0.0013451100000000 ] - [ -0.0230409200000000, -0.0000975700000000, 0.0078128500000000 ] - [ 0.0001554400000000, -0.0000413900000000, 0.0001103600000000 ] - [ -0.0002379400000000, 0.0000939600000000, -0.0000751600000000 ] - [ -0.0002289100000000, -0.0001620500000000, 0.0001098600000000 ] - [ -0.0038867700000000, -0.0003370600000000, -0.0006191900000000 ] - [ -0.0001962900000000, -0.0000729800000000, -0.0001286200000000 ] - [ 0.0001282600000000, -0.0000053400000000, 0.0002671900000000 ] - [ 0.0003429800000000, -0.0004521600000000, -0.0001827600000000 ] - [ -0.0028649400000000, -0.0028286800000000, -0.0009048800000000 ] - [ 0.0000734700000000, 0.0001100600000000, -0.0001971300000000 ] - [ -0.0000457300000000, -0.0000765700000000, 0.0002250900000000 ] - [ 0.0000005500000000, 0.0001158000000000, -0.0001521800000000 ] - [ 0.0005724400000000, 0.0009597800000000, -0.0015134300000000 ] - [ -0.0004283900000000, 0.0004568200000000, -0.0002253000000000 ] - [ 0.0034338800000000, -0.0012107400000000, 0.0005574800000000 ] - [ 0.0002068200000000, 0.0000482600000000, -0.0003294700000000 ] - [ -0.0170610700000000, -0.0001357000000000, -0.0024436100000000 ] - [ 0.0005045500000000, -0.0000848200000000, 0.0001459300000000 ] - [ -0.0007833100000000, -0.0002474400000000, -0.0004321100000000 ] - [ -0.0003897500000000, 0.0004654000000000, 0.0001963200000000 ] - [ 0.0015852100000000, -0.0056211700000000, 0.0037980600000000 ] - [ -0.0011124000000000, 0.0011741800000000, -0.0010111900000000 ] - [ 0.0001354000000000, 0.0000471100000000, -0.0004205500000000 ] - [ -0.0002270400000000, 0.0002150400000000, 0.0002845800000000 ] - [ 0.0001132900000000, -0.0000142700000000, 0.0000935400000000 ] - [ -0.0063130400000000, 0.0077891300000000, -0.0003865200000000 ] - [ 0.0005471500000000, 0.0001741900000000, 0.0000392800000000 ] - [ 0.0000718000000000, 0.0000700400000000, -0.0001791900000000 ] - [ 0.0927346700000000, 0.0025582000000000, -0.0018101600000000 ] - [ -0.0001557300000000, 0.0001382700000000, 0.0002839000000000 ] - [ 0.0001914600000000, -0.0001629300000000, -0.0003988600000000 ] - [ 0.0000675000000000, 0.0002413000000000, 0.0003054600000000 ] - [ -0.0042031800000000, -0.0072698400000000, 0.0038505300000000 ] - [ 0.0001295300000000, 0.0001623000000000, -0.0002933000000000 ] - [ -0.0003442300000000, -0.0000746300000000, 0.0001035700000000 ] - [ 0.0002458700000000, 0.0003239100000000, -0.0003606400000000 ] - [ -0.0006799700000000, 0.0008143100000000, 0.0005012300000000 ] - [ -0.0000539500000000, 0.0000444700000000, -0.0002547000000000 ] - [ 0.0000401000000000, 0.0000745200000000, 0.0005022200000000 ] - [ 0.0006951900000000, -0.0039099900000000, -0.0032335100000000 ] - [ 0.0012821100000000, -0.0009022300000000, -0.0003984400000000 ] - [ 0.0002509900000000, -0.0000750000000000, -0.0000383400000000 ] - [ -0.0002814500000000, -0.0007073800000000, -0.0004910400000000 ] - [ -0.0003450700000000, 0.0006411500000000, 0.0003114200000000 ] - [ -0.0003936400000000, 0.0014054200000000, 0.0057148100000000 ] - [ -0.0002819300000000, 0.0002387800000000, 0.0000127900000000 ] - [ -0.0000662700000000, 0.0004699500000000, 0.0004784800000000 ] - [ 0.0002998200000000, -0.0000435200000000, 0.0000882400000000 ] - [ -0.0054055200000000, 0.0095868400000000, -0.0024959500000000 ] - [ -0.0000838400000000, -0.0001195700000000, 0.0003272500000000 ] - [ 0.0001922400000000, -0.0002627000000000, -0.0004933700000000 ] - [ -0.0000330900000000, 0.0001500900000000, 0.0003653500000000 ] - [ -0.0221709500000000, 0.0041649200000000, -0.0071462400000000 ] - [ 0.0001333000000000, 0.0001728900000000, -0.0004498000000000 ] - [ 0.0000924000000000, -0.0000397800000000, 0.0000968200000000 ] - [ -0.0000184500000000, -0.0000846200000000, -0.0002700700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060572100000000, 0.0092100000000000, -0.0005446400000000 ] - [ -0.0003637100000000, -0.0006298100000000, 0.0003263400000000 ] - [ 0.0001187200000000, -0.0000364000000000, 0.0000931900000000 ] - [ 0.0001561800000000, -0.0014560900000000, -0.0003258000000000 ] - [ 0.0008084600000000, -0.0024477400000000, 0.0023650300000000 ] - [ 0.0000426500000000, -0.0006617600000000, 0.0003485100000000 ] - [ -0.0006121300000000, 0.0014751500000000, 0.0005064000000000 ] - [ -0.0001630400000000, -0.0023743500000000, -0.0007126800000000 ] - [ -0.0005533500000000, 0.0004126700000000, -0.0012714800000000 ] - [ -0.0003190700000000, 0.0004734000000000, -0.0014982600000000 ] - [ 0.0006810800000000, -0.0021753600000000, -0.0009704500000000 ] - [ 0.0000069900000000, -0.0016239800000000, -0.0012724400000000 ] - [ -0.0004924500000000, 0.0016354900000000, 0.0008092300000000 ] - [ -0.0002467100000000, -0.0015263800000000, -0.0007438900000000 ] - [ -0.0024207200000000, 0.0083312800000000, 0.0048593400000000 ] - [ 0.0000216300000000, -0.0009820500000000, 0.0002452300000000 ] - [ -0.0000322400000000, 0.0011258500000000, -0.0010878600000000 ] - [ -0.0000700100000000, -0.0012882200000000, -0.0001737400000000 ] - [ -0.0006793200000000, 0.0035106500000000, -0.0012040900000000 ] - [ -0.0002193400000000, -0.0010787400000000, 0.0000501800000000 ] - [ -0.0000535600000000, 0.0055905300000000, 0.0030323200000000 ] - [ -0.0004084000000000, -0.0006459100000000, -0.0004004100000000 ] - [ 0.0001245800000000, 0.0004003700000000, -0.0009665300000000 ] - [ 0.0002792500000000, -0.0012614500000000, -0.0000257900000000 ] - [ 0.0035841200000000, -0.0002482500000000, -0.0021906800000000 ] - [ 0.0002691500000000, -0.0006317200000000, -0.0001105100000000 ] - [ -0.0003959100000000, 0.0010163900000000, -0.0005000600000000 ] - [ -0.0005537700000000, -0.0014251900000000, -0.0002242000000000 ] - [ -0.0008063500000000, -0.0017703700000000, 0.0018610800000000 ] - [ -0.0010351200000000, 0.0076794400000000, -0.0007941000000000 ] - [ -0.0002655200000000, -0.0015989700000000, 0.0002845300000000 ] - [ 0.0001823200000000, -0.0001727100000000, 0.0011132600000000 ] - [ -0.0003693500000000, -0.0013673400000000, 0.0003534900000000 ] - [ -0.0002956800000000, -0.0006234200000000, 0.0019526200000000 ] - [ 0.0004722200000000, -0.0019421800000000, 0.0012233800000000 ] - [ -0.0006642100000000, 0.0023957900000000, 0.0013768200000000 ] - [ 0.0003758300000000, 0.0052738500000000, -0.0006947300000000 ] - [ 0.0001773600000000, -0.0004760800000000, 0.0001651200000000 ] - [ -0.0003380000000000, 0.0005839000000000, -0.0004607900000000 ] - [ -0.0002909600000000, -0.0012817100000000, 0.0002244700000000 ] - [ 0.0019255000000000, 0.0142659200000000, -0.0026877100000000 ] - [ -0.0002216400000000, -0.0006735600000000, -0.0002920800000000 ] - [ 0.0002373900000000, 0.0006317700000000, -0.0000462200000000 ] - [ 0.0003641700000000, -0.0014853700000000, -0.0001022900000000 ] - [ 0.0027696500000000, -0.0057017600000000, -0.0048803800000000 ] - [ -0.0001562200000000, 0.0003228200000000, -0.0001879200000000 ] - [ -0.0000466200000000, -0.0005370200000000, -0.0002535700000000 ] - [ -0.0000529600000000, -0.0020417800000000, -0.0000678600000000 ] - [ -0.0024067900000000, -0.0006072500000000, -0.0061590800000000 ] - [ -0.0004106500000000, 0.0016414800000000, -0.0001177400000000 ] - [ 0.0014082000000000, -0.0052915400000000, 0.0020807700000000 ] - [ 0.0002691600000000, 0.0018789800000000, -0.0004506900000000 ] - [ -0.0005947000000000, -0.0077766200000000, 0.0010182300000000 ] - [ 0.0002765100000000, 0.0013277600000000, -0.0002531900000000 ] - [ -0.0003496300000000, -0.0016548000000000, -0.0007135600000000 ] - [ -0.0005624200000000, 0.0020329200000000, 0.0002198300000000 ] - [ 0.0059310800000000, 0.0096221600000000, -0.0090087800000000 ] - [ -0.0006951000000000, 0.0006313100000000, -0.0019428200000000 ] - [ 0.0000195500000000, 0.0007617100000000, -0.0009558700000000 ] - [ -0.0000670300000000, 0.0016311500000000, -0.0006473000000000 ] - [ -0.0001373500000000, -0.0003466100000000, -0.0006621300000000 ] - [ -0.0087688900000000, 0.0066634300000000, -0.0012411300000000 ] - [ 0.0003854500000000, 0.0027258100000000, -0.0008570900000000 ] - [ -0.0000233900000000, 0.0004374200000000, -0.0001591800000000 ] - [ -0.0022913800000000, -0.0698598600000000, 0.0022260900000000 ] - [ 0.0000857600000000, 0.0008894500000000, -0.0000764100000000 ] - [ 0.0002177200000000, -0.0007930600000000, -0.0003411200000000 ] - [ 0.0002966100000000, 0.0019128600000000, 0.0001252600000000 ] - [ 0.0074123000000000, 0.0029608100000000, -0.0055811500000000 ] - [ 0.0002166200000000, 0.0010527200000000, -0.0002607700000000 ] - [ 0.0000229600000000, -0.0013909800000000, 0.0001039600000000 ] - [ 0.0002740500000000, 0.0025380700000000, -0.0005255600000000 ] - [ -0.0005259100000000, 0.0034253500000000, 0.0007519000000000 ] - [ -0.0000008300000000, 0.0006886800000000, 0.0004962000000000 ] - [ 0.0001828100000000, -0.0003566500000000, 0.0008327500000000 ] - [ 0.0054396200000000, 0.0041862500000000, 0.0058300300000000 ] - [ 0.0016221800000000, 0.0054370500000000, 0.0042410800000000 ] - [ 0.0002312700000000, 0.0011932300000000, 0.0003154400000000 ] - [ -0.0003475600000000, -0.0015787000000000, 0.0004481700000000 ] - [ -0.0006682600000000, 0.0018146100000000, 0.0016116400000000 ] - [ -0.0021896100000000, -0.0034602800000000, 0.0047299800000000 ] - [ -0.0002626800000000, 0.0008117800000000, 0.0006791700000000 ] - [ 0.0001027200000000, 0.0007859400000000, 0.0021483000000000 ] - [ 0.0002600700000000, 0.0016210900000000, 0.0002999100000000 ] - [ -0.0149472400000000, 0.0121899000000000, 0.0000566200000000 ] - [ 0.0001716300000000, 0.0000382100000000, 0.0000055800000000 ] - [ 0.0005055800000000, -0.0004743300000000, -0.0008431100000000 ] - [ 0.0004750400000000, 0.0005644500000000, 0.0014732000000000 ] - [ 0.0019818000000000, -0.0028217500000000, 0.0043663700000000 ] - [ 0.0003117100000000, 0.0002582500000000, -0.0006126700000000 ] - [ 0.0001918900000000, 0.0003595200000000, 0.0005225100000000 ] - [ 0.0004290600000000, 0.0001604800000000, 0.0003269500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066812500000000, -0.0089316500000000, 0.0008338000000000 ] - [ -0.0000146000000000, 0.0002932200000000, -0.0006189300000000 ] - [ 0.0002570600000000, -0.0002880500000000, 0.0002012400000000 ] - [ 0.0002195100000000, 0.0017801300000000, 0.0000318500000000 ] - [ -0.0004323600000000, 0.0021062500000000, -0.0026440300000000 ] - [ 0.0003342200000000, 0.0009912300000000, -0.0000541600000000 ] - [ 0.0002332000000000, -0.0011436500000000, -0.0007958600000000 ] - [ -0.0002162600000000, 0.0020482100000000, 0.0010108300000000 ] - [ -0.0001338800000000, -0.0004245100000000, 0.0016106100000000 ] - [ -0.0003596700000000, -0.0004896400000000, 0.0011612600000000 ] - [ 0.0000097400000000, 0.0021642200000000, 0.0012993200000000 ] - [ 0.0006720600000000, 0.0016172200000000, 0.0009246600000000 ] - [ 0.0003339200000000, -0.0012661600000000, -0.0006833400000000 ] - [ 0.0000896600000000, 0.0011653200000000, 0.0006188200000000 ] - [ 0.0024041600000000, -0.0084725200000000, -0.0044851100000000 ] - [ 0.0001365800000000, 0.0013378300000000, -0.0003758900000000 ] - [ 0.0001863600000000, -0.0014673200000000, 0.0009628100000000 ] - [ 0.0002286900000000, 0.0016454900000000, 0.0003036700000000 ] - [ 0.0005152900000000, -0.0031196400000000, 0.0010634000000000 ] - [ 0.0000602800000000, 0.0007146800000000, 0.0000816300000000 ] - [ -0.0007179200000000, -0.0050900300000000, -0.0028544500000000 ] - [ -0.0003691200000000, 0.0001673300000000, 0.0001779700000000 ] - [ 0.0006550600000000, -0.0008663300000000, 0.0011815900000000 ] - [ 0.0004970600000000, 0.0017306300000000, -0.0001944700000000 ] - [ -0.0027668500000000, -0.0002206400000000, 0.0019488000000000 ] - [ 0.0005096100000000, 0.0011048300000000, 0.0003288000000000 ] - [ -0.0003839800000000, -0.0005395400000000, 0.0002729400000000 ] - [ -0.0002277100000000, 0.0009473200000000, 0.0004493000000000 ] - [ 0.0011552200000000, 0.0021360500000000, -0.0020684500000000 ] - [ 0.0015000400000000, -0.0081282100000000, 0.0012372300000000 ] - [ -0.0000716300000000, 0.0012329400000000, -0.0004728600000000 ] - [ -0.0005184900000000, 0.0005397100000000, -0.0009167300000000 ] - [ 0.0000305000000000, 0.0010016300000000, -0.0001587400000000 ] - [ -0.0000415600000000, 0.0009865700000000, -0.0021323700000000 ] - [ -0.0001398900000000, 0.0023023300000000, -0.0010383900000000 ] - [ 0.0010069000000000, -0.0027735500000000, -0.0015659500000000 ] - [ -0.0000648000000000, -0.0052702400000000, 0.0005074800000000 ] - [ 0.0001947800000000, 0.0004802000000000, 0.0000438200000000 ] - [ -0.0000344400000000, -0.0005733200000000, 0.0002480400000000 ] - [ -0.0000797500000000, 0.0012726500000000, -0.0000133400000000 ] - [ -0.0022967000000000, -0.0133343100000000, 0.0026901300000000 ] - [ -0.0001525900000000, 0.0006651400000000, 0.0000786600000000 ] - [ 0.0001336400000000, -0.0006363200000000, 0.0002553000000000 ] - [ 0.0000099200000000, 0.0014892800000000, -0.0001062800000000 ] - [ -0.0027516500000000, 0.0056399600000000, 0.0055309800000000 ] - [ 0.0001828800000000, -0.0003279400000000, -0.0004638400000000 ] - [ 0.0000201000000000, 0.0005381700000000, 0.0008979700000000 ] - [ 0.0000280100000000, 0.0020335500000000, -0.0005738900000000 ] - [ 0.0015889000000000, -0.0000093700000000, 0.0065585500000000 ] - [ -0.0003892800000000, -0.0010549900000000, -0.0003258300000000 ] - [ -0.0006019100000000, 0.0058425700000000, -0.0016808200000000 ] - [ 0.0005285600000000, -0.0024574500000000, 0.0000092300000000 ] - [ 0.0013747700000000, 0.0083076000000000, -0.0014984600000000 ] - [ 0.0005227100000000, -0.0019054400000000, 0.0006987300000000 ] - [ -0.0004480600000000, 0.0010587800000000, 0.0002728000000000 ] - [ -0.0002355500000000, -0.0014461000000000, 0.0002200300000000 ] - [ -0.0061041500000000, -0.0096742200000000, 0.0083268800000000 ] - [ 0.0005801900000000, -0.0006158500000000, 0.0027171500000000 ] - [ 0.0000935100000000, -0.0007634800000000, 0.0001795100000000 ] - [ 0.0001790500000000, -0.0016280300000000, 0.0014128500000000 ] - [ -0.0000942600000000, 0.0003523000000000, 0.0009834500000000 ] - [ 0.0086277600000000, -0.0066861100000000, 0.0009192400000000 ] - [ -0.0001522400000000, -0.0027163000000000, 0.0011697400000000 ] - [ 0.0002534900000000, -0.0004400000000000, -0.0001606100000000 ] - [ 0.0025737500000000, 0.0687793700000000, -0.0030912900000000 ] - [ -0.0002725300000000, -0.0009680100000000, 0.0006824900000000 ] - [ -0.0000288300000000, 0.0007014600000000, -0.0002614000000000 ] - [ -0.0001099300000000, -0.0018230400000000, 0.0004759300000000 ] - [ -0.0071394000000000, -0.0030463800000000, 0.0061222100000000 ] - [ -0.0000292400000000, -0.0009637700000000, -0.0003423400000000 ] - [ -0.0002092300000000, 0.0014707400000000, 0.0004973700000000 ] - [ -0.0004585000000000, -0.0026232200000000, -0.0000808900000000 ] - [ 0.0003221400000000, -0.0034062000000000, 0.0000153100000000 ] - [ -0.0001992200000000, -0.0006897300000000, -0.0012536900000000 ] - [ 0.0000190100000000, 0.0003614400000000, -0.0000631500000000 ] - [ -0.0052805800000000, -0.0041931700000000, -0.0066539400000000 ] - [ -0.0010604000000000, -0.0048640600000000, -0.0039843900000000 ] - [ 0.0003162700000000, -0.0017139900000000, -0.0005247400000000 ] - [ -0.0001975100000000, 0.0010629700000000, -0.0002191700000000 ] - [ 0.0001218100000000, -0.0012860600000000, -0.0018307800000000 ] - [ 0.0016307000000000, 0.0029835500000000, -0.0049098600000000 ] - [ -0.0002850100000000, -0.0002804400000000, -0.0004661000000000 ] - [ 0.0004455800000000, -0.0002675500000000, -0.0023474100000000 ] - [ 0.0002874100000000, -0.0021390500000000, -0.0000842700000000 ] - [ 0.0144638600000000, -0.0116800900000000, -0.0007604700000000 ] - [ -0.0004011500000000, -0.0003022600000000, 0.0007360900000000 ] - [ -0.0002744600000000, 0.0002113600000000, 0.0001024600000000 ] - [ -0.0002439000000000, -0.0003021700000000, -0.0007351200000000 ] - [ -0.0017056100000000, 0.0025589000000000, -0.0035829500000000 ] - [ -0.0000796700000000, 0.0000058600000000, -0.0001290000000000 ] - [ -0.0004205700000000, -0.0000948700000000, 0.0002175000000000 ] - [ -0.0006576000000000, -0.0004240000000000, -0.0010666900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021859000000000, 0.0010222500000000, 0.0049751100000000 ] - [ -0.0000511400000000, 0.0003753500000000, -0.0011090500000000 ] - [ 0.0003636200000000, -0.0005506800000000, -0.0010950500000000 ] - [ 0.0001890800000000, 0.0002165300000000, 0.0001196300000000 ] - [ 0.0014110100000000, -0.0011172900000000, 0.0032403400000000 ] - [ 0.0002008300000000, 0.0001781100000000, -0.0001747700000000 ] - [ -0.0001799300000000, 0.0000299500000000, -0.0027480300000000 ] - [ -0.0002360500000000, -0.0000661700000000, 0.0016325100000000 ] - [ -0.0006586500000000, -0.0016333300000000, -0.0016335800000000 ] - [ 0.0002845700000000, -0.0020178900000000, -0.0016092000000000 ] - [ 0.0004764000000000, -0.0005958100000000, 0.0003921200000000 ] - [ 0.0003247000000000, -0.0005592000000000, -0.0000871500000000 ] - [ 0.0003591600000000, 0.0000815800000000, -0.0025804200000000 ] - [ 0.0000266200000000, -0.0003580400000000, 0.0001027000000000 ] - [ -0.0015061000000000, 0.0016116500000000, 0.0091487500000000 ] - [ 0.0000663800000000, 0.0003683400000000, -0.0001814000000000 ] - [ -0.0006125500000000, -0.0017055600000000, -0.0017758200000000 ] - [ 0.0000345300000000, 0.0002932400000000, 0.0004570500000000 ] - [ 0.0000413300000000, 0.0009074700000000, -0.0005948300000000 ] - [ 0.0000496900000000, -0.0002439500000000, -0.0004753000000000 ] - [ 0.0017250000000000, 0.0013822500000000, 0.0124085800000000 ] - [ -0.0005445000000000, -0.0005109200000000, -0.0007264500000000 ] - [ -0.0000470200000000, -0.0016378800000000, -0.0008991900000000 ] - [ 0.0003133500000000, 0.0002496600000000, 0.0001236600000000 ] - [ -0.0006734800000000, -0.0009653900000000, 0.0019082300000000 ] - [ 0.0003549700000000, 0.0002108200000000, 0.0000102300000000 ] - [ -0.0007461700000000, 0.0006241500000000, -0.0020966300000000 ] - [ -0.0005378800000000, -0.0013783100000000, 0.0002890800000000 ] - [ 0.0004242100000000, 0.0017631900000000, -0.0009349200000000 ] - [ 0.0021226800000000, -0.0002616000000000, 0.0080246800000000 ] - [ -0.0001148100000000, -0.0000208000000000, -0.0001642400000000 ] - [ -0.0006539700000000, 0.0012605400000000, -0.0011603300000000 ] - [ -0.0002304100000000, -0.0000670100000000, -0.0001400300000000 ] - [ 0.0001576900000000, 0.0014444500000000, -0.0009016900000000 ] - [ -0.0002211400000000, 0.0022525700000000, 0.0010623200000000 ] - [ 0.0020568800000000, 0.0012121500000000, -0.0025264300000000 ] - [ -0.0142676100000000, 0.0004371800000000, 0.0110116200000000 ] - [ -0.0000127000000000, 0.0000329200000000, -0.0004187900000000 ] - [ -0.0005643900000000, -0.0001480000000000, -0.0009706100000000 ] - [ -0.0002919300000000, -0.0000577700000000, 0.0002950100000000 ] - [ -0.0011581200000000, -0.0005609600000000, 0.0055379000000000 ] - [ -0.0002425800000000, 0.0000652200000000, -0.0003021200000000 ] - [ -0.0000354400000000, 0.0002976300000000, -0.0021382500000000 ] - [ 0.0001213600000000, -0.0002907800000000, 0.0004721800000000 ] - [ 0.0025215800000000, -0.0054992700000000, 0.0032462900000000 ] - [ 0.0005195800000000, -0.0002000400000000, -0.0023408300000000 ] - [ 0.0001336600000000, -0.0002701200000000, -0.0002058100000000 ] - [ 0.0001266300000000, 0.0001861000000000, 0.0005322800000000 ] - [ 0.0016009600000000, -0.0074162200000000, 0.0054700600000000 ] - [ -0.0003669500000000, 0.0004291100000000, 0.0000874200000000 ] - [ -0.0002715800000000, 0.0031447300000000, 0.0160738600000000 ] - [ 0.0004855700000000, -0.0007787200000000, -0.0009681000000000 ] - [ 0.0016115200000000, 0.0021381000000000, -0.0022222700000000 ] - [ 0.0004426300000000, -0.0009058200000000, 0.0005157300000000 ] - [ -0.0001735700000000, -0.0011133900000000, 0.0017412300000000 ] - [ -0.0004055900000000, 0.0005405600000000, 0.0002647000000000 ] - [ -0.0049340600000000, -0.0091677200000000, 0.0001544600000000 ] - [ 0.0010624200000000, -0.0029171300000000, 0.0026652300000000 ] - [ 0.0000076200000000, -0.0003710500000000, 0.0001968700000000 ] - [ -0.0001335200000000, -0.0004997500000000, 0.0002250000000000 ] - [ -0.0003706000000000, -0.0007686600000000, 0.0020290200000000 ] - [ 0.0000608100000000, -0.0004219200000000, -0.0061687300000000 ] - [ 0.0003298500000000, -0.0006326000000000, -0.0001396400000000 ] - [ 0.0001554100000000, 0.0000046000000000, 0.0004050800000000 ] - [ 0.0017963800000000, 0.0027372500000000, -0.0708641300000000 ] - [ -0.0001169900000000, -0.0004170500000000, 0.0010063900000000 ] - [ 0.0000038500000000, 0.0000072900000000, 0.0011492200000000 ] - [ 0.0000953100000000, 0.0002107000000000, 0.0001042300000000 ] - [ -0.0034634100000000, -0.0058938700000000, -0.0002513700000000 ] - [ 0.0001078400000000, 0.0000766500000000, 0.0000107700000000 ] - [ -0.0002999900000000, 0.0002336700000000, 0.0024642900000000 ] - [ -0.0000390100000000, 0.0001857700000000, -0.0015703300000000 ] - [ -0.0002664500000000, 0.0001562000000000, -0.0000117500000000 ] - [ -0.0001508100000000, 0.0004864200000000, -0.0001631300000000 ] - [ -0.0000535700000000, 0.0002486900000000, 0.0022143300000000 ] - [ 0.0030727300000000, 0.0068614400000000, 0.0007971200000000 ] - [ 0.0011740000000000, 0.0035304100000000, -0.0006669900000000 ] - [ 0.0002867200000000, -0.0000924000000000, -0.0000969800000000 ] - [ 0.0001357800000000, 0.0002559900000000, 0.0034337200000000 ] - [ -0.0004142100000000, 0.0016878600000000, 0.0003646500000000 ] - [ -0.0061413300000000, 0.0049695100000000, 0.0115076400000000 ] - [ -0.0002047500000000, 0.0010668500000000, 0.0010921700000000 ] - [ -0.0000554100000000, 0.0015203500000000, 0.0002667800000000 ] - [ 0.0002951000000000, -0.0001240200000000, -0.0002100900000000 ] - [ 0.0004504200000000, 0.0040132800000000, -0.0075406900000000 ] - [ -0.0000774900000000, -0.0002251700000000, 0.0005511200000000 ] - [ 0.0006737300000000, 0.0010288000000000, 0.0012581000000000 ] - [ 0.0004507500000000, -0.0000968100000000, 0.0000449300000000 ] - [ 0.0104812300000000, 0.0002358000000000, -0.0013620900000000 ] - [ 0.0002733900000000, -0.0001689800000000, 0.0001869300000000 ] - [ -0.0000988200000000, 0.0006993600000000, 0.0015436700000000 ] - [ -0.0000207000000000, -0.0002446900000000, -0.0005877600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025203000000000, -0.0006600300000000, -0.0046688900000000 ] - [ -0.0003288100000000, -0.0007049800000000, 0.0008225200000000 ] - [ 0.0000158200000000, 0.0002136800000000, 0.0013786100000000 ] - [ 0.0001881300000000, 0.0001178600000000, -0.0004102900000000 ] - [ -0.0010300100000000, 0.0007803200000000, -0.0035337300000000 ] - [ 0.0001777500000000, 0.0001526600000000, 0.0004645400000000 ] - [ -0.0002040100000000, 0.0003114600000000, 0.0024518400000000 ] - [ -0.0001399400000000, -0.0002684200000000, -0.0013461300000000 ] - [ -0.0000206200000000, 0.0016442500000000, 0.0019659700000000 ] - [ -0.0009800800000000, 0.0020294800000000, 0.0012731900000000 ] - [ 0.0002082000000000, 0.0006009400000000, -0.0000534300000000 ] - [ 0.0003582000000000, 0.0005612000000000, -0.0002361300000000 ] - [ -0.0005156600000000, 0.0002691400000000, 0.0027101700000000 ] - [ -0.0001833100000000, 0.0000047300000000, -0.0002279900000000 ] - [ 0.0014779900000000, -0.0016970500000000, -0.0088261900000000 ] - [ 0.0000899900000000, -0.0000114800000000, 0.0000585300000000 ] - [ 0.0007535500000000, 0.0013406400000000, 0.0016578000000000 ] - [ 0.0001249000000000, 0.0000675500000000, -0.0003257200000000 ] - [ -0.0002095700000000, -0.0005423800000000, 0.0004490300000000 ] - [ -0.0002077600000000, -0.0001102700000000, 0.0005994300000000 ] - [ -0.0028650000000000, -0.0010095000000000, -0.0129411300000000 ] - [ -0.0002372700000000, 0.0000414600000000, 0.0005015100000000 ] - [ 0.0008284800000000, 0.0011463500000000, 0.0011209700000000 ] - [ 0.0004661100000000, 0.0002255100000000, -0.0003453500000000 ] - [ 0.0014434500000000, 0.0004934800000000, -0.0021198200000000 ] - [ 0.0004296500000000, 0.0002623700000000, 0.0002144200000000 ] - [ -0.0000451500000000, -0.0001556700000000, 0.0018726800000000 ] - [ -0.0002494800000000, 0.0009093000000000, -0.0000642600000000 ] - [ -0.0000864200000000, -0.0013958300000000, 0.0007415200000000 ] - [ -0.0015036600000000, -0.0004157500000000, -0.0073919300000000 ] - [ -0.0002220300000000, -0.0003428400000000, -0.0000320100000000 ] - [ 0.0003220500000000, -0.0009045300000000, 0.0013525300000000 ] - [ -0.0001068300000000, -0.0002985800000000, 0.0003300900000000 ] - [ -0.0005004000000000, -0.0010813600000000, 0.0006962200000000 ] - [ 0.0005555500000000, -0.0018819500000000, -0.0008636000000000 ] - [ -0.0016895500000000, -0.0015598500000000, 0.0023270700000000 ] - [ 0.0148837000000000, -0.0004424800000000, -0.0112500700000000 ] - [ 0.0003925100000000, -0.0000214300000000, 0.0006339600000000 ] - [ 0.0001875200000000, 0.0001526600000000, 0.0007569400000000 ] - [ -0.0000818300000000, 0.0000508400000000, -0.0000836200000000 ] - [ 0.0007688300000000, 0.0006509400000000, -0.0053176900000000 ] - [ -0.0001355800000000, -0.0000729200000000, 0.0000876200000000 ] - [ 0.0004195200000000, -0.0003044900000000, 0.0023335100000000 ] - [ 0.0002602800000000, 0.0002991500000000, -0.0006872300000000 ] - [ -0.0024851900000000, 0.0054753800000000, -0.0026526600000000 ] - [ -0.0004904700000000, 0.0002020200000000, 0.0016881300000000 ] - [ -0.0001605300000000, 0.0002687400000000, 0.0008590600000000 ] - [ -0.0001541200000000, -0.0001769800000000, -0.0011789900000000 ] - [ -0.0024352500000000, 0.0069079600000000, -0.0050504600000000 ] - [ -0.0004385300000000, 0.0001459700000000, -0.0005333800000000 ] - [ 0.0010626600000000, -0.0025280600000000, -0.0154399100000000 ] - [ 0.0003198900000000, 0.0002008700000000, 0.0005184100000000 ] - [ -0.0008093700000000, -0.0015459300000000, 0.0017066200000000 ] - [ 0.0003602600000000, 0.0003255800000000, -0.0000704900000000 ] - [ -0.0006282100000000, 0.0005418800000000, -0.0021811900000000 ] - [ -0.0003983100000000, 0.0000340300000000, 0.0001851900000000 ] - [ 0.0047962000000000, 0.0091334300000000, -0.0009653100000000 ] - [ -0.0011656000000000, 0.0028976200000000, -0.0018843500000000 ] - [ 0.0001078100000000, 0.0003729600000000, -0.0009680900000000 ] - [ 0.0002459400000000, 0.0004969100000000, 0.0005564800000000 ] - [ 0.0001319200000000, 0.0007589100000000, -0.0017033700000000 ] - [ -0.0003245300000000, 0.0004693300000000, 0.0058341800000000 ] - [ -0.0000942300000000, 0.0006203600000000, 0.0004708600000000 ] - [ 0.0000784300000000, -0.0000023400000000, -0.0007274200000000 ] - [ -0.0019227300000000, -0.0025760500000000, 0.0703813500000000 ] - [ -0.0000752000000000, 0.0003389000000000, -0.0003997600000000 ] - [ 0.0001889500000000, -0.0000747400000000, -0.0017527500000000 ] - [ 0.0000960600000000, -0.0001373700000000, 0.0005044600000000 ] - [ 0.0036458000000000, 0.0058060000000000, 0.0009008100000000 ] - [ 0.0000844800000000, -0.0000013400000000, -0.0006181000000000 ] - [ 0.0001058300000000, -0.0001570500000000, -0.0018536200000000 ] - [ -0.0001525100000000, -0.0002624300000000, 0.0009603700000000 ] - [ 0.0000643700000000, -0.0001712500000000, 0.0007770500000000 ] - [ -0.0000542200000000, -0.0004820200000000, -0.0006078100000000 ] - [ 0.0002608200000000, -0.0002569700000000, -0.0014470000000000 ] - [ -0.0028784300000000, -0.0068854600000000, -0.0015424300000000 ] - [ -0.0006225500000000, -0.0029914900000000, 0.0008528200000000 ] - [ 0.0002623600000000, -0.0004475400000000, -0.0001233400000000 ] - [ -0.0006899500000000, -0.0007925900000000, -0.0032156100000000 ] - [ -0.0001360600000000, -0.0011538800000000, -0.0005756900000000 ] - [ 0.0056877400000000, -0.0055656300000000, -0.0118138200000000 ] - [ -0.0003441900000000, -0.0005339500000000, -0.0008747000000000 ] - [ 0.0006020700000000, -0.0009769600000000, -0.0004991400000000 ] - [ 0.0002525000000000, -0.0004180400000000, 0.0004242500000000 ] - [ -0.0006203000000000, -0.0037879600000000, 0.0067841700000000 ] - [ -0.0001517500000000, -0.0000357000000000, 0.0001858500000000 ] - [ -0.0004416400000000, -0.0012879900000000, -0.0019917300000000 ] - [ -0.0002240700000000, 0.0003576700000000, 0.0006926600000000 ] - [ -0.0103572500000000, -0.0005225000000000, 0.0021846400000000 ] - [ -0.0000454200000000, 0.0004281000000000, -0.0009202400000000 ] - [ -0.0001329800000000, -0.0004370400000000, -0.0008007900000000 ] - [ -0.0002093800000000, -0.0000175200000000, -0.0001506800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000990900000000, 0.0002018200000000, 0.0002179900000000 ] - [ -0.0002228800000000, -0.0001673100000000, -0.0002177000000000 ] - [ 0.0001710700000000, -0.0000846500000000, -0.0000492400000000 ] - [ 0.0021642400000000, -0.0002962400000000, -0.0002790900000000 ] - [ 0.0021642400000000, 0.0002962400000000, -0.0002790900000000 ] - [ 0.0001710700000000, 0.0000846500000000, -0.0000492400000000 ] - [ -0.0002228800000000, 0.0001673100000000, -0.0002177000000000 ] - [ -0.0000990900000000, -0.0002018200000000, 0.0002179900000000 ] - [ -0.0003460400000000, 0.0000000000000000, 0.0002314600000000 ] - [ -0.0003216500000000, 0.0000000000000000, -0.0000762200000000 ] - [ -0.0029983100000000, 0.0000000000000000, -0.0029285300000000 ] - [ 0.0059790100000000, 0.0000000000000000, 0.0003760600000000 ] - [ -0.0001159100000000, 0.0000865300000000, 0.0001007700000000 ] - [ 0.0003364900000000, 0.0002441500000000, -0.0001938600000000 ] - [ -0.0007941600000000, 0.0003567800000000, -0.0011153700000000 ] - [ 0.0004005000000000, 0.0004731400000000, 0.0000888300000000 ] - [ 0.0004005000000000, -0.0004731400000000, 0.0000888300000000 ] - [ -0.0007941600000000, -0.0003567800000000, -0.0011153700000000 ] - [ 0.0003364900000000, -0.0002441500000000, -0.0001938600000000 ] - [ -0.0001159100000000, -0.0000865300000000, 0.0001007700000000 ] - [ -0.0003839300000000, 0.0002337900000000, 0.0002186300000000 ] - [ -0.0003984900000000, -0.0001545400000000, -0.0001114500000000 ] - [ -0.0001384100000000, -0.0001196500000000, 0.0003185600000000 ] - [ 0.0046277900000000, -0.0032562000000000, -0.0002892300000000 ] - [ 0.0046277900000000, 0.0032562000000000, -0.0002892300000000 ] - [ -0.0001384100000000, 0.0001196500000000, 0.0003185600000000 ] - [ -0.0003984900000000, 0.0001545400000000, -0.0001114500000000 ] - [ -0.0003839300000000, -0.0002337900000000, 0.0002186300000000 ] - [ 0.0002235100000000, 0.0001540600000000, -0.0001999700000000 ] - [ 0.0001041000000000, -0.0001352300000000, 0.0000457800000000 ] - [ -0.0004651100000000, 0.0001256200000000, -0.0008679200000000 ] - [ -0.0001218700000000, -0.0003054400000000, -0.0000863800000000 ] - [ -0.0001218700000000, 0.0003054400000000, -0.0000863800000000 ] - [ -0.0004651100000000, -0.0001256200000000, -0.0008679200000000 ] - [ 0.0001041000000000, 0.0001352300000000, 0.0000457800000000 ] - [ 0.0002235100000000, -0.0001540600000000, -0.0001999700000000 ] - [ 0.0001905100000000, -0.0005387700000000, 0.0000676100000000 ] - [ 0.0002043200000000, 0.0000625700000000, 0.0000569400000000 ] - [ -0.0000503900000000, 0.0000443900000000, -0.0003972100000000 ] - [ -0.0014323000000000, 0.0009135100000000, -0.0002536500000000 ] - [ -0.0014323000000000, -0.0009135100000000, -0.0002536500000000 ] - [ -0.0000503900000000, -0.0000443900000000, -0.0003972100000000 ] - [ 0.0002043200000000, -0.0000625700000000, 0.0000569400000000 ] - [ 0.0001905100000000, 0.0005387700000000, 0.0000676100000000 ] - [ -0.0000351200000000, 0.0000000000000000, 0.0003666300000000 ] - [ 0.0000280800000000, 0.0000000000000000, -0.0003472000000000 ] - [ 0.0005409400000000, 0.0000000000000000, -0.0004250600000000 ] - [ 0.0295961800000000, 0.0000000000000000, 0.0063234500000000 ] - [ 0.0000591500000000, -0.0000549600000000, -0.0004284300000000 ] - [ -0.0004466600000000, 0.0000111000000000, -0.0000578100000000 ] - [ 0.0006329600000000, 0.0003684800000000, 0.0005174900000000 ] - [ -0.0000652700000000, -0.0004786800000000, -0.0000533800000000 ] - [ -0.0000652700000000, 0.0004786800000000, -0.0000533800000000 ] - [ 0.0006329600000000, -0.0003684800000000, 0.0005174900000000 ] - [ -0.0004466600000000, -0.0000111000000000, -0.0000578100000000 ] - [ 0.0000591500000000, 0.0000549600000000, -0.0004284300000000 ] - [ -0.0000674600000000, 0.0000000000000000, -0.0003513900000000 ] - [ -0.0000495800000000, 0.0000000000000000, 0.0004390300000000 ] - [ 0.0000150500000000, 0.0000000000000000, 0.0001703700000000 ] - [ -0.0020427300000000, 0.0000000000000000, 0.0017265900000000 ] - [ -0.0001225300000000, 0.0000000000000000, 0.0002250800000000 ] - [ -0.0001248400000000, 0.0000000000000000, -0.0001620400000000 ] - [ 0.0157108200000000, 0.0000000000000000, -0.0003855100000000 ] - [ -0.0000442200000000, 0.0000000000000000, -0.0002128000000000 ] - [ 0.0004863400000000, -0.0003785800000000, -0.0004654800000000 ] - [ -0.0001390200000000, -0.0001432700000000, 0.0003484500000000 ] - [ 0.0001524500000000, 0.0000374700000000, -0.0001433000000000 ] - [ -0.0004672900000000, -0.0053053000000000, 0.0032745900000000 ] - [ -0.0004672900000000, 0.0053053000000000, 0.0032745900000000 ] - [ 0.0001524500000000, -0.0000374700000000, -0.0001433000000000 ] - [ -0.0001390200000000, 0.0001432700000000, 0.0003484500000000 ] - [ 0.0004863400000000, 0.0003785800000000, -0.0004654800000000 ] - [ -0.0810986300000000, 0.0000000000000000, 0.0000885300000000 ] - [ 0.0019708500000000, 0.0000000000000000, 0.0003767500000000 ] - [ 0.0000867000000000, 0.0000000000000000, 0.0003711300000000 ] - [ 0.0001639600000000, 0.0000000000000000, -0.0004396600000000 ] - [ 0.0143273700000000, 0.0071234800000000, -0.0060443500000000 ] - [ -0.0044749900000000, 0.0017646100000000, 0.0032849900000000 ] - [ -0.0002744400000000, -0.0001909600000000, 0.0000417300000000 ] - [ -0.0002719600000000, 0.0001879200000000, -0.0001799700000000 ] - [ -0.0002719600000000, -0.0001879200000000, -0.0001799700000000 ] - [ -0.0002744400000000, 0.0001909600000000, 0.0000417300000000 ] - [ -0.0044749900000000, -0.0017646100000000, 0.0032849900000000 ] - [ 0.0143273700000000, -0.0071234800000000, -0.0060443500000000 ] - [ 0.0029341900000000, -0.0113435300000000, -0.0000537500000000 ] - [ -0.0001252600000000, -0.0001971600000000, 0.0002517400000000 ] - [ 0.0001028100000000, -0.0001211600000000, -0.0003140400000000 ] - [ -0.0000506200000000, -0.0000900200000000, 0.0002841800000000 ] - [ -0.0000506200000000, 0.0000900200000000, 0.0002841800000000 ] - [ 0.0001028100000000, 0.0001211600000000, -0.0003140400000000 ] - [ -0.0001252600000000, 0.0001971600000000, 0.0002517400000000 ] - [ 0.0029341900000000, 0.0113435300000000, -0.0000537500000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002756800000000, 0.0001264900000000, 0.0000808600000000 ] - [ -0.0001517600000000, -0.0001608000000000, -0.0000826300000000 ] - [ 0.0002033700000000, -0.0002442800000000, 0.0003503300000000 ] - [ -0.0017638200000000, 0.0006521100000000, -0.0000547600000000 ] - [ -0.0017638200000000, -0.0006521100000000, -0.0000547600000000 ] - [ 0.0002033700000000, 0.0002442800000000, 0.0003503300000000 ] - [ -0.0001517600000000, 0.0001608000000000, -0.0000826300000000 ] - [ -0.0002756800000000, -0.0001264900000000, 0.0000808600000000 ] - [ -0.0003398100000000, 0.0000000000000000, 0.0001096400000000 ] - [ -0.0003642700000000, 0.0000000000000000, -0.0002655600000000 ] - [ 0.0040274700000000, 0.0000000000000000, 0.0034487900000000 ] - [ -0.0053922900000000, 0.0000000000000000, -0.0005653700000000 ] - [ -0.0000424600000000, 0.0002768400000000, 0.0000318600000000 ] - [ -0.0004988800000000, -0.0006094100000000, 0.0000630200000000 ] - [ 0.0009682200000000, -0.0007151000000000, 0.0012638200000000 ] - [ -0.0002465900000000, -0.0001151500000000, -0.0002232000000000 ] - [ -0.0002465900000000, 0.0001151500000000, -0.0002232000000000 ] - [ 0.0009682200000000, 0.0007151000000000, 0.0012638200000000 ] - [ -0.0004988800000000, 0.0006094100000000, 0.0000630200000000 ] - [ -0.0000424600000000, -0.0002768400000000, 0.0000318600000000 ] - [ -0.0003899700000000, 0.0002434800000000, 0.0000005100000000 ] - [ -0.0003748000000000, -0.0003240600000000, -0.0001073600000000 ] - [ 0.0009156100000000, -0.0003543300000000, -0.0001105800000000 ] - [ -0.0038392200000000, 0.0038022700000000, 0.0000756900000000 ] - [ -0.0038392200000000, -0.0038022700000000, 0.0000756900000000 ] - [ 0.0009156100000000, 0.0003543300000000, -0.0001105800000000 ] - [ -0.0003748000000000, 0.0003240600000000, -0.0001073600000000 ] - [ -0.0003899700000000, -0.0002434800000000, 0.0000005100000000 ] - [ 0.0001161900000000, 0.0002067200000000, 0.0000103000000000 ] - [ 0.0002321000000000, -0.0002252300000000, 0.0001465700000000 ] - [ 0.0001229900000000, -0.0004965400000000, 0.0006907100000000 ] - [ -0.0002157500000000, 0.0006651100000000, 0.0002743700000000 ] - [ -0.0002157500000000, -0.0006651100000000, 0.0002743700000000 ] - [ 0.0001229900000000, 0.0004965400000000, 0.0006907100000000 ] - [ 0.0002321000000000, 0.0002252300000000, 0.0001465700000000 ] - [ 0.0001161900000000, -0.0002067200000000, 0.0000103000000000 ] - [ 0.0001760400000000, 0.0005385300000000, -0.0002786000000000 ] - [ 0.0001625200000000, -0.0000595900000000, 0.0001507200000000 ] - [ -0.0003194200000000, -0.0000416900000000, 0.0001908300000000 ] - [ 0.0010989000000000, -0.0009385500000000, 0.0004631400000000 ] - [ 0.0010989000000000, 0.0009385500000000, 0.0004631400000000 ] - [ -0.0003194200000000, 0.0000416900000000, 0.0001908300000000 ] - [ 0.0001625200000000, 0.0000595900000000, 0.0001507200000000 ] - [ 0.0001760400000000, -0.0005385300000000, -0.0002786000000000 ] - [ 0.0000623300000000, 0.0000000000000000, 0.0002805200000000 ] - [ -0.0000012600000000, 0.0000000000000000, -0.0003000600000000 ] - [ -0.0005654200000000, 0.0000000000000000, 0.0010711500000000 ] - [ -0.0315945100000000, 0.0000000000000000, -0.0075851500000000 ] - [ -0.0008586800000000, -0.0005298300000000, 0.0008718400000000 ] - [ -0.0003453200000000, 0.0005795300000000, -0.0003819000000000 ] - [ 0.0001584000000000, 0.0002166600000000, -0.0000800000000000 ] - [ 0.0008593200000000, -0.0001168900000000, -0.0003880600000000 ] - [ 0.0008593200000000, 0.0001168900000000, -0.0003880600000000 ] - [ 0.0001584000000000, -0.0002166600000000, -0.0000800000000000 ] - [ -0.0003453200000000, -0.0005795300000000, -0.0003819000000000 ] - [ -0.0008586800000000, 0.0005298300000000, 0.0008718400000000 ] - [ -0.0000452800000000, 0.0000000000000000, -0.0004216000000000 ] - [ -0.0000626900000000, 0.0000000000000000, 0.0003331900000000 ] - [ 0.0000923400000000, 0.0000000000000000, -0.0009453400000000 ] - [ 0.0021833400000000, 0.0000000000000000, -0.0009170300000000 ] - [ -0.0001021600000000, 0.0000000000000000, 0.0000919300000000 ] - [ -0.0000994300000000, 0.0000000000000000, -0.0001544000000000 ] - [ -0.0155513600000000, 0.0000000000000000, 0.0005481400000000 ] - [ 0.0002685300000000, 0.0000000000000000, -0.0001051400000000 ] - [ -0.0006701300000000, 0.0004753500000000, -0.0001353300000000 ] - [ -0.0000421100000000, 0.0000494900000000, 0.0002526800000000 ] - [ 0.0000280200000000, -0.0001323700000000, -0.0004577900000000 ] - [ 0.0006902900000000, 0.0054208000000000, -0.0026766500000000 ] - [ 0.0006902900000000, -0.0054208000000000, -0.0026766500000000 ] - [ 0.0000280200000000, 0.0001323700000000, -0.0004577900000000 ] - [ -0.0000421100000000, -0.0000494900000000, 0.0002526800000000 ] - [ -0.0006701300000000, -0.0004753500000000, -0.0001353300000000 ] - [ 0.0827548200000000, 0.0000000000000000, 0.0010319700000000 ] - [ -0.0021615600000000, 0.0000000000000000, -0.0011239600000000 ] - [ 0.0001074600000000, 0.0000000000000000, 0.0003933700000000 ] - [ 0.0000300600000000, 0.0000000000000000, -0.0003244700000000 ] - [ -0.0138307800000000, -0.0067604500000000, 0.0063594500000000 ] - [ 0.0049881100000000, -0.0023041700000000, -0.0035585400000000 ] - [ -0.0002710100000000, -0.0003206700000000, 0.0001698400000000 ] - [ -0.0002739600000000, 0.0003238100000000, -0.0000310400000000 ] - [ -0.0002739600000000, -0.0003238100000000, -0.0000310400000000 ] - [ -0.0002710100000000, 0.0003206700000000, 0.0001698400000000 ] - [ 0.0049881100000000, 0.0023041700000000, -0.0035585400000000 ] - [ -0.0138307800000000, 0.0067604500000000, 0.0063594500000000 ] - [ -0.0032426800000000, 0.0115543500000000, -0.0007062400000000 ] - [ -0.0001035100000000, -0.0000708200000000, 0.0004950800000000 ] - [ 0.0001294000000000, -0.0001461400000000, -0.0004318300000000 ] - [ 0.0002839000000000, 0.0003581000000000, 0.0004625600000000 ] - [ 0.0002839000000000, -0.0003581000000000, 0.0004625600000000 ] - [ 0.0001294000000000, 0.0001461400000000, -0.0004318300000000 ] - [ -0.0001035100000000, 0.0000708200000000, 0.0004950800000000 ] - [ -0.0032426800000000, -0.0115543500000000, -0.0007062400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002549800000000, -0.0015847500000000, 0.0002195500000000 ] - [ -0.0003631100000000, -0.0011751300000000, -0.0001990300000000 ] - [ 0.0000036500000000, 0.0009090600000000, 0.0005766600000000 ] - [ 0.0004899100000000, 0.0077938600000000, -0.0039077000000000 ] - [ -0.0000242900000000, 0.0072758700000000, 0.0033447400000000 ] - [ 0.0003754300000000, 0.0012455400000000, -0.0002839800000000 ] - [ -0.0000157900000000, -0.0008434900000000, -0.0000915700000000 ] - [ -0.0001224800000000, -0.0019182100000000, 0.0000679300000000 ] - [ -0.0003423100000000, -0.0012907400000000, 0.0001696600000000 ] - [ -0.0003426900000000, -0.0015632200000000, -0.0001668100000000 ] - [ 0.0003529900000000, 0.0069722800000000, 0.0001614200000000 ] - [ 0.0003167400000000, 0.0090379800000000, -0.0001211700000000 ] - [ 0.0000999100000000, -0.0002564000000000, -0.0005675300000000 ] - [ -0.0002849400000000, -0.0012000100000000, 0.0008760600000000 ] - [ 0.0013036700000000, -0.0024820900000000, 0.0022585300000000 ] - [ 0.0006498500000000, 0.0000228900000000, -0.0018276300000000 ] - [ -0.0004915900000000, -0.0003363300000000, 0.0016983400000000 ] - [ -0.0011500900000000, -0.0021300800000000, -0.0021361500000000 ] - [ 0.0001254900000000, -0.0008446400000000, -0.0009933700000000 ] - [ -0.0002572500000000, -0.0006105500000000, 0.0006957000000000 ] - [ -0.0000319000000000, -0.0008819400000000, -0.0006111200000000 ] - [ -0.0003932600000000, -0.0006913800000000, -0.0001022600000000 ] - [ 0.0009115100000000, 0.0001863700000000, 0.0010292000000000 ] - [ -0.0046725200000000, 0.0124290500000000, 0.0013397600000000 ] - [ 0.0052367000000000, 0.0110663700000000, -0.0014674900000000 ] - [ -0.0001298500000000, 0.0006664900000000, -0.0008069800000000 ] - [ -0.0003882200000000, -0.0002219500000000, -0.0001194000000000 ] - [ -0.0007533600000000, -0.0013515500000000, 0.0008380900000000 ] - [ -0.0001403000000000, -0.0017508800000000, -0.0008039200000000 ] - [ 0.0000774700000000, -0.0022923500000000, 0.0006719000000000 ] - [ 0.0002713400000000, 0.0022658400000000, 0.0015509800000000 ] - [ -0.0005648400000000, 0.0017374600000000, -0.0004841300000000 ] - [ 0.0002293900000000, 0.0013769600000000, 0.0006757600000000 ] - [ -0.0006051400000000, 0.0026198500000000, -0.0017373300000000 ] - [ 0.0002593800000000, -0.0019272500000000, -0.0004837400000000 ] - [ 0.0004787800000000, -0.0021160500000000, 0.0006085200000000 ] - [ 0.0004722300000000, -0.0016633100000000, -0.0006170100000000 ] - [ 0.0002080300000000, -0.0002475800000000, -0.0001951900000000 ] - [ -0.0002044800000000, -0.0000783600000000, 0.0005689500000000 ] - [ -0.0039371300000000, -0.0000359700000000, 0.0019795700000000 ] - [ 0.0035249200000000, -0.0000308000000000, -0.0017522100000000 ] - [ -0.0001714000000000, -0.0000847100000000, -0.0007815200000000 ] - [ 0.0001721200000000, -0.0002598800000000, 0.0004081100000000 ] - [ -0.0000920500000000, -0.0016578000000000, 0.0004015800000000 ] - [ 0.0000138700000000, -0.0016216900000000, 0.0003250500000000 ] - [ 0.0000136600000000, -0.0008257000000000, -0.0003240500000000 ] - [ -0.0000174900000000, 0.0023511600000000, 0.0003271300000000 ] - [ 0.0000590300000000, 0.0069178000000000, -0.0003251300000000 ] - [ -0.0008561600000000, 0.0000361500000000, 0.0031933800000000 ] - [ -0.0004815000000000, 0.0000568400000000, -0.0009349600000000 ] - [ -0.0000598200000000, 0.0016288300000000, -0.0013026400000000 ] - [ -0.0004656000000000, 0.0038597600000000, 0.0013550900000000 ] - [ 0.0012631200000000, 0.0044125600000000, -0.0017925500000000 ] - [ 0.0008659800000000, 0.0010518500000000, 0.0017569900000000 ] - [ -0.0003236600000000, -0.0005131700000000, 0.0004819400000000 ] - [ 0.0000505700000000, 0.0006038100000000, -0.0027582300000000 ] - [ -0.0000572700000000, 0.0025018800000000, -0.0003854000000000 ] - [ -0.0000555100000000, 0.0018574200000000, 0.0003879100000000 ] - [ 0.0000565700000000, -0.0017618600000000, -0.0003879100000000 ] - [ 0.0000588000000000, -0.0053086600000000, 0.0004003600000000 ] - [ -0.0001195700000000, 0.0011832200000000, 0.0001615600000000 ] - [ -0.0001185900000000, 0.0023316900000000, -0.0001602600000000 ] - [ 0.0001186600000000, -0.0060612200000000, 0.0001801400000000 ] - [ 0.0001180900000000, -0.0012239200000000, -0.0001661400000000 ] - [ -0.0009118700000000, 0.0034475700000000, -0.0001396500000000 ] - [ -0.0000499900000000, 0.0006494800000000, 0.0007882400000000 ] - [ 0.0000216000000000, -0.0003939300000000, -0.0005565600000000 ] - [ -0.0038290200000000, 0.0042369300000000, -0.0066015600000000 ] - [ 0.0039894300000000, 0.0041426300000000, 0.0071461300000000 ] - [ 0.0001713200000000, -0.0003233800000000, -0.0000516800000000 ] - [ -0.0001418800000000, 0.0007283500000000, -0.0001806300000000 ] - [ 0.0007223900000000, 0.0033828700000000, -0.0004668900000000 ] - [ -0.0002502000000000, -0.1024818900000000, 0.0006032700000000 ] - [ -0.0000999200000000, -0.0019435700000000, -0.0003927500000000 ] - [ 0.0001040800000000, 0.0010867900000000, 0.0003838000000000 ] - [ 0.0001043800000000, 0.0023909900000000, -0.0003854400000000 ] - [ 0.0066079600000000, -0.0008537900000000, -0.0047976000000000 ] - [ 0.0020552400000000, -0.0003060000000000, 0.0112528600000000 ] - [ -0.0002717800000000, 0.0008415800000000, 0.0005100800000000 ] - [ -0.0004021000000000, 0.0018020200000000, -0.0007584300000000 ] - [ -0.0001489600000000, 0.0012618500000000, 0.0005364900000000 ] - [ -0.0002773700000000, 0.0013798600000000, -0.0002965900000000 ] - [ -0.0015008300000000, 0.0003051100000000, -0.0114242300000000 ] - [ -0.0060897900000000, -0.0014616900000000, 0.0050443600000000 ] - [ -0.0166656000000000, 0.0187436000000000, 0.0033165400000000 ] - [ -0.0001579700000000, -0.0007519200000000, 0.0011277700000000 ] - [ -0.0000210800000000, 0.0000016400000000, -0.0001465200000000 ] - [ 0.0008446200000000, 0.0000553400000000, 0.0006425700000000 ] - [ -0.0006128000000000, -0.0002015100000000, 0.0000941000000000 ] - [ 0.0002491900000000, 0.0002605400000000, -0.0005895600000000 ] - [ -0.0000742300000000, -0.0004887300000000, -0.0003888300000000 ] - [ 0.0167464700000000, 0.0189340400000000, -0.0041853100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002000900000000, 0.0000539000000000, 0.0005273200000000 ] - [ -0.0000165400000000, -0.0001704400000000, -0.0003609000000000 ] - [ 0.0002622800000000, -0.0000223800000000, -0.0011973900000000 ] - [ -0.0003617200000000, -0.0003741200000000, 0.0088957900000000 ] - [ -0.0003617200000000, 0.0003741200000000, 0.0088957900000000 ] - [ 0.0002622800000000, 0.0000223800000000, -0.0011973900000000 ] - [ -0.0000165400000000, 0.0001704400000000, -0.0003609000000000 ] - [ -0.0002000900000000, -0.0000539000000000, 0.0005273200000000 ] - [ -0.0003468100000000, 0.0000000000000000, -0.0001277700000000 ] - [ -0.0003189300000000, 0.0000000000000000, -0.0004422600000000 ] - [ 0.0010385500000000, 0.0000000000000000, 0.0057125800000000 ] - [ 0.0013150600000000, 0.0000000000000000, 0.0031723600000000 ] - [ -0.0000040000000000, -0.0000192700000000, -0.0007493900000000 ] - [ -0.0000694900000000, 0.0005520600000000, -0.0005707300000000 ] - [ 0.0010364700000000, -0.0006887400000000, 0.0036054900000000 ] - [ 0.0005704600000000, -0.0011352500000000, -0.0000518600000000 ] - [ 0.0005704600000000, 0.0011352500000000, -0.0000518600000000 ] - [ 0.0010364700000000, 0.0006887400000000, 0.0036054900000000 ] - [ -0.0000694900000000, -0.0005520600000000, -0.0005707300000000 ] - [ -0.0000040000000000, 0.0000192700000000, -0.0007493900000000 ] - [ -0.0003062500000000, -0.0000840700000000, 0.0000859400000000 ] - [ -0.0005014500000000, -0.0002367200000000, -0.0004989800000000 ] - [ -0.0004395400000000, 0.0009948000000000, -0.0005192500000000 ] - [ -0.0011813200000000, 0.0006768000000000, 0.0045205300000000 ] - [ -0.0011813200000000, -0.0006768000000000, 0.0045205300000000 ] - [ -0.0004395400000000, -0.0009948000000000, -0.0005192500000000 ] - [ -0.0005014500000000, 0.0002367200000000, -0.0004989800000000 ] - [ -0.0003062500000000, 0.0000840700000000, 0.0000859400000000 ] - [ 0.0001244100000000, -0.0000426800000000, 0.0002163700000000 ] - [ 0.0002029900000000, -0.0000614300000000, 0.0005970500000000 ] - [ -0.0004191700000000, 0.0009536500000000, -0.0021987500000000 ] - [ 0.0003089400000000, -0.0007744100000000, -0.0024388400000000 ] - [ 0.0003089400000000, 0.0007744100000000, -0.0024388400000000 ] - [ -0.0004191700000000, -0.0009536500000000, -0.0021987500000000 ] - [ 0.0002029900000000, 0.0000614300000000, 0.0005970500000000 ] - [ 0.0001244100000000, 0.0000426800000000, 0.0002163700000000 ] - [ 0.0002544500000000, -0.0006506100000000, 0.0002707400000000 ] - [ -0.0000461700000000, -0.0002625800000000, -0.0001032300000000 ] - [ -0.0002669200000000, 0.0008304400000000, -0.0019027100000000 ] - [ -0.0015467900000000, 0.0007223900000000, 0.0018209900000000 ] - [ -0.0015467900000000, -0.0007223900000000, 0.0018209900000000 ] - [ -0.0002669200000000, -0.0008304400000000, -0.0019027100000000 ] - [ -0.0000461700000000, 0.0002625800000000, -0.0001032300000000 ] - [ 0.0002544500000000, 0.0006506100000000, 0.0002707400000000 ] - [ 0.0000856100000000, 0.0000000000000000, 0.0003711200000000 ] - [ -0.0000003100000000, 0.0000000000000000, -0.0006024000000000 ] - [ 0.0003365800000000, 0.0000000000000000, -0.0033619300000000 ] - [ 0.0047447000000000, 0.0000000000000000, 0.0080770500000000 ] - [ -0.0008818900000000, 0.0013661200000000, 0.0015208900000000 ] - [ -0.0002912200000000, -0.0000299900000000, 0.0015024100000000 ] - [ 0.0001255500000000, -0.0005840400000000, -0.0003439000000000 ] - [ 0.0007948800000000, 0.0002486600000000, -0.0012337500000000 ] - [ 0.0007948800000000, -0.0002486600000000, -0.0012337500000000 ] - [ 0.0001255500000000, 0.0005840400000000, -0.0003439000000000 ] - [ -0.0002912200000000, 0.0000299900000000, 0.0015024100000000 ] - [ -0.0008818900000000, -0.0013661200000000, 0.0015208900000000 ] - [ -0.0000437000000000, 0.0000000000000000, -0.0007643000000000 ] - [ -0.0001248700000000, 0.0000000000000000, 0.0002423600000000 ] - [ -0.0000240700000000, 0.0000000000000000, 0.0021151900000000 ] - [ 0.0006838900000000, 0.0000000000000000, 0.0114471500000000 ] - [ -0.0000913600000000, 0.0000000000000000, 0.0001802700000000 ] - [ -0.0000862000000000, 0.0000000000000000, -0.0004531200000000 ] - [ -0.0037328700000000, 0.0000000000000000, 0.0032282400000000 ] - [ -0.0003185300000000, 0.0000000000000000, 0.0027818300000000 ] - [ -0.0002071600000000, 0.0004201500000000, -0.0006974900000000 ] - [ 0.0000409900000000, 0.0008307900000000, 0.0005237900000000 ] - [ 0.0002123400000000, -0.0004998700000000, 0.0015334800000000 ] - [ 0.0029277700000000, -0.0061813400000000, 0.0014847100000000 ] - [ 0.0029277700000000, 0.0061813400000000, 0.0014847100000000 ] - [ 0.0002123400000000, 0.0004998700000000, 0.0015334800000000 ] - [ 0.0000409900000000, -0.0008307900000000, 0.0005237900000000 ] - [ -0.0002071600000000, -0.0004201500000000, -0.0006974900000000 ] - [ -0.0006553500000000, 0.0000000000000000, -0.0671447200000000 ] - [ -0.0008515200000000, 0.0000000000000000, 0.0028246000000000 ] - [ 0.0001081500000000, 0.0000000000000000, 0.0006271100000000 ] - [ 0.0000388900000000, 0.0000000000000000, -0.0002911500000000 ] - [ -0.0034036200000000, -0.0043866500000000, -0.0045249900000000 ] - [ 0.0040066400000000, 0.0120778000000000, 0.0122944900000000 ] - [ -0.0002930800000000, -0.0001858500000000, 0.0005949000000000 ] - [ -0.0002313100000000, 0.0000415900000000, 0.0002243800000000 ] - [ -0.0002313100000000, -0.0000415900000000, 0.0002243800000000 ] - [ -0.0002930800000000, 0.0001858500000000, 0.0005949000000000 ] - [ 0.0040066400000000, -0.0120778000000000, 0.0122944900000000 ] - [ -0.0034036200000000, 0.0043866500000000, -0.0045249900000000 ] - [ -0.0013747600000000, 0.0065921200000000, -0.0073746200000000 ] - [ 0.0001053900000000, -0.0004352700000000, 0.0007937400000000 ] - [ 0.0002578400000000, 0.0000549300000000, -0.0001170700000000 ] - [ -0.0000673500000000, -0.0000139600000000, 0.0000747400000000 ] - [ -0.0000673500000000, 0.0000139600000000, 0.0000747400000000 ] - [ 0.0002578400000000, -0.0000549300000000, -0.0001170700000000 ] - [ 0.0001053900000000, 0.0004352700000000, 0.0007937400000000 ] - [ -0.0013747600000000, -0.0065921200000000, -0.0073746200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001754600000000, 0.0002736500000000, -0.0002269400000000 ] - [ -0.0003575800000000, -0.0001583800000000, 0.0000593200000000 ] - [ 0.0001122600000000, -0.0003023600000000, 0.0014950500000000 ] - [ 0.0008818700000000, 0.0010234000000000, -0.0095698700000000 ] - [ 0.0008818700000000, -0.0010234000000000, -0.0095698700000000 ] - [ 0.0001122600000000, 0.0003023600000000, 0.0014950500000000 ] - [ -0.0003575800000000, 0.0001583800000000, 0.0000593200000000 ] - [ -0.0001754600000000, -0.0002736500000000, -0.0002269400000000 ] - [ -0.0003391500000000, 0.0000000000000000, 0.0004666600000000 ] - [ -0.0003668800000000, 0.0000000000000000, 0.0000976700000000 ] - [ -0.0001448500000000, 0.0000000000000000, -0.0052207200000000 ] - [ -0.0008673600000000, 0.0000000000000000, -0.0030686300000000 ] - [ -0.0001540300000000, 0.0003839500000000, 0.0008775400000000 ] - [ -0.0000904900000000, -0.0009148600000000, 0.0004322800000000 ] - [ -0.0008783200000000, 0.0003308500000000, -0.0034658000000000 ] - [ -0.0004081100000000, 0.0014889600000000, -0.0000739500000000 ] - [ -0.0004081100000000, -0.0014889600000000, -0.0000739500000000 ] - [ -0.0008783200000000, -0.0003308500000000, -0.0034658000000000 ] - [ -0.0000904900000000, 0.0009148600000000, 0.0004322800000000 ] - [ -0.0001540300000000, -0.0003839500000000, 0.0008775400000000 ] - [ -0.0004666500000000, 0.0005607600000000, 0.0001312600000000 ] - [ -0.0002727500000000, -0.0002429100000000, 0.0002779200000000 ] - [ 0.0012023700000000, -0.0014660600000000, 0.0007387300000000 ] - [ 0.0019575200000000, -0.0001762800000000, -0.0047579700000000 ] - [ 0.0019575200000000, 0.0001762800000000, -0.0047579700000000 ] - [ 0.0012023700000000, 0.0014660600000000, 0.0007387300000000 ] - [ -0.0002727500000000, 0.0002429100000000, 0.0002779200000000 ] - [ -0.0004666500000000, -0.0005607600000000, 0.0001312600000000 ] - [ 0.0002157900000000, 0.0004021200000000, -0.0004026700000000 ] - [ 0.0001333800000000, -0.0002986700000000, -0.0004002700000000 ] - [ 0.0000922900000000, -0.0013195800000000, 0.0019956000000000 ] - [ -0.0006584200000000, 0.0011490400000000, 0.0026291700000000 ] - [ -0.0006584200000000, -0.0011490400000000, 0.0026291700000000 ] - [ 0.0000922900000000, 0.0013195800000000, 0.0019956000000000 ] - [ 0.0001333800000000, 0.0002986700000000, -0.0004002700000000 ] - [ 0.0002157900000000, -0.0004021200000000, -0.0004026700000000 ] - [ 0.0001125800000000, 0.0006456700000000, -0.0004807300000000 ] - [ 0.0004115000000000, 0.0002624300000000, 0.0003098900000000 ] - [ -0.0000962300000000, -0.0008195100000000, 0.0016837100000000 ] - [ 0.0011972200000000, -0.0007185100000000, -0.0016217400000000 ] - [ 0.0011972200000000, 0.0007185100000000, -0.0016217400000000 ] - [ -0.0000962300000000, 0.0008195100000000, 0.0016837100000000 ] - [ 0.0004115000000000, -0.0002624300000000, 0.0003098900000000 ] - [ 0.0001125800000000, -0.0006456700000000, -0.0004807300000000 ] - [ -0.0000578400000000, 0.0000000000000000, 0.0002752000000000 ] - [ 0.0000269100000000, 0.0000000000000000, -0.0000462700000000 ] - [ -0.0003736800000000, 0.0000000000000000, 0.0039875100000000 ] - [ -0.0048645900000000, 0.0000000000000000, -0.0087240600000000 ] - [ 0.0000926500000000, -0.0019587400000000, -0.0010707800000000 ] - [ -0.0005033000000000, 0.0006246400000000, -0.0019329600000000 ] - [ 0.0006667800000000, 0.0011660300000000, 0.0007761200000000 ] - [ -0.0000020000000000, -0.0008448600000000, 0.0007831800000000 ] - [ -0.0000020000000000, 0.0008448600000000, 0.0007831800000000 ] - [ 0.0006667800000000, -0.0011660300000000, 0.0007761200000000 ] - [ -0.0005033000000000, -0.0006246400000000, -0.0019329600000000 ] - [ 0.0000926500000000, 0.0019587400000000, -0.0010707800000000 ] - [ -0.0000686000000000, 0.0000000000000000, -0.0000116600000000 ] - [ 0.0000121200000000, 0.0000000000000000, 0.0005279400000000 ] - [ 0.0001391700000000, 0.0000000000000000, -0.0028766600000000 ] - [ -0.0005789200000000, 0.0000000000000000, -0.0107904000000000 ] - [ -0.0001331000000000, 0.0000000000000000, 0.0001363900000000 ] - [ -0.0001376900000000, 0.0000000000000000, 0.0001349000000000 ] - [ 0.0040017100000000, 0.0000000000000000, -0.0028733600000000 ] - [ 0.0005383500000000, 0.0000000000000000, -0.0030912100000000 ] - [ 0.0000245500000000, -0.0003177500000000, 0.0000931700000000 ] - [ -0.0002219100000000, -0.0009182900000000, 0.0000772400000000 ] - [ -0.0000271800000000, 0.0003978900000000, -0.0021265300000000 ] - [ -0.0027636300000000, 0.0063005700000000, -0.0008569100000000 ] - [ -0.0027636300000000, -0.0063005700000000, -0.0008569100000000 ] - [ -0.0000271800000000, -0.0003978900000000, -0.0021265300000000 ] - [ -0.0002219100000000, 0.0009182900000000, 0.0000772400000000 ] - [ 0.0000245500000000, 0.0003177500000000, 0.0000931700000000 ] - [ 0.0002730000000000, 0.0000000000000000, 0.0679736200000000 ] - [ 0.0006489200000000, 0.0000000000000000, -0.0035712700000000 ] - [ 0.0000862500000000, 0.0000000000000000, 0.0001389900000000 ] - [ 0.0001543600000000, 0.0000000000000000, -0.0004715300000000 ] - [ 0.0039615500000000, 0.0049016100000000, 0.0046579100000000 ] - [ -0.0034095000000000, -0.0124216100000000, -0.0123874500000000 ] - [ -0.0002527000000000, -0.0003258400000000, -0.0003796900000000 ] - [ -0.0003141600000000, 0.0004686300000000, -0.0004320300000000 ] - [ -0.0003141600000000, -0.0004686300000000, -0.0004320300000000 ] - [ -0.0002527000000000, 0.0003258400000000, -0.0003796900000000 ] - [ -0.0034095000000000, 0.0124216100000000, -0.0123874500000000 ] - [ 0.0039615500000000, -0.0049016100000000, 0.0046579100000000 ] - [ 0.0010780900000000, -0.0062341800000000, 0.0066791400000000 ] - [ -0.0003366600000000, 0.0001670400000000, -0.0000507900000000 ] - [ -0.0000243100000000, -0.0003211600000000, -0.0006280800000000 ] - [ 0.0002989300000000, 0.0002817800000000, 0.0006713500000000 ] - [ 0.0002989300000000, -0.0002817800000000, 0.0006713500000000 ] - [ -0.0000243100000000, 0.0003211600000000, -0.0006280800000000 ] - [ -0.0003366600000000, -0.0001670400000000, -0.0000507900000000 ] - [ 0.0010780900000000, 0.0062341800000000, 0.0066791400000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005665400000000, 0.0001011900000000, 0.0002702000000000 ] - [ -0.0001988200000000, -0.0001968300000000, -0.0001125700000000 ] - [ 0.0006807900000000, -0.0010022100000000, -0.0003237900000000 ] - [ -0.0000214000000000, -0.0002952400000000, 0.0001122600000000 ] - [ -0.0012354400000000, 0.0014837700000000, -0.0014429700000000 ] - [ 0.0003045500000000, 0.0004224400000000, 0.0003906600000000 ] - [ 0.0000279600000000, 0.0001078300000000, -0.0000189200000000 ] - [ -0.0001991900000000, -0.0002047600000000, 0.0001428600000000 ] - [ -0.0003327500000000, -0.0000247700000000, 0.0001252300000000 ] - [ -0.0003606100000000, -0.0000478700000000, -0.0002246200000000 ] - [ 0.0029304500000000, 0.0020639300000000, 0.0009910100000000 ] - [ 0.0016244400000000, -0.0023495200000000, -0.0022527600000000 ] - [ 0.0000361700000000, 0.0001174300000000, 0.0000166900000000 ] - [ -0.0001113600000000, -0.0002639700000000, -0.0000472800000000 ] - [ -0.0011254300000000, -0.0014509500000000, -0.0020050500000000 ] - [ -0.0000021600000000, 0.0001440500000000, 0.0000123300000000 ] - [ 0.0014672400000000, 0.0010649200000000, -0.0025584600000000 ] - [ 0.0001006200000000, 0.0002400500000000, 0.0000286700000000 ] - [ -0.0004719500000000, 0.0005815900000000, 0.0000790200000000 ] - [ -0.0000817100000000, -0.0002056600000000, 0.0000768300000000 ] - [ -0.0005462700000000, 0.0000970000000000, -0.0001129400000000 ] - [ -0.0003991100000000, -0.0002579700000000, -0.0001291500000000 ] - [ 0.0031880200000000, -0.0006721900000000, 0.0018144000000000 ] - [ 0.0002708700000000, -0.0004432000000000, -0.0001081200000000 ] - [ -0.0006812900000000, 0.0009725400000000, 0.0005779300000000 ] - [ 0.0006341200000000, 0.0006803900000000, 0.0003687400000000 ] - [ -0.0003433000000000, 0.0002741700000000, -0.0001712900000000 ] - [ -0.0003914600000000, -0.0002852300000000, 0.0000929400000000 ] - [ 0.0001482000000000, 0.0001606200000000, -0.0000768800000000 ] - [ 0.0007926600000000, -0.0003749300000000, 0.0001743200000000 ] - [ -0.0001608300000000, -0.0001846100000000, -0.0000676900000000 ] - [ -0.0002865100000000, 0.0004939700000000, 0.0001353600000000 ] - [ -0.0000967900000000, -0.0002447400000000, 0.0001460300000000 ] - [ 0.0001576000000000, -0.0000277500000000, 0.0003137300000000 ] - [ 0.0001831400000000, 0.0001482900000000, 0.0001040700000000 ] - [ -0.0004427900000000, -0.0000243600000000, -0.0003134800000000 ] - [ 0.0004384500000000, 0.0006553700000000, 0.0001983100000000 ] - [ 0.0001888300000000, 0.0000035200000000, 0.0001140000000000 ] - [ 0.0005674300000000, -0.0000913400000000, 0.0001187000000000 ] - [ 0.0000254100000000, -0.0001290200000000, 0.0000979300000000 ] - [ -0.0016163400000000, -0.0000337900000000, 0.0005106300000000 ] - [ -0.0002285900000000, -0.0000338300000000, -0.0000110700000000 ] - [ 0.0000196500000000, -0.0001432300000000, 0.0002795900000000 ] - [ 0.0001915600000000, -0.0000830100000000, -0.0001202700000000 ] - [ 0.0000819500000000, -0.0001163100000000, 0.0002739600000000 ] - [ 0.0000034600000000, 0.0000228000000000, -0.0003510900000000 ] - [ -0.0007480200000000, 0.0000071900000000, 0.0008343100000000 ] - [ 0.0046294700000000, -0.0007738000000000, 0.0001659200000000 ] - [ -0.0005771600000000, -0.0003453700000000, 0.0007647300000000 ] - [ -0.0004009200000000, 0.0003155600000000, -0.0002357900000000 ] - [ -0.0008176700000000, 0.0031126100000000, -0.0017563200000000 ] - [ 0.0004161000000000, -0.0002545600000000, -0.0002361700000000 ] - [ 0.0033667400000000, -0.0040320800000000, -0.0002891500000000 ] - [ 0.0003807000000000, -0.0003012400000000, 0.0001728300000000 ] - [ -0.0002502100000000, -0.0004011100000000, -0.0002485900000000 ] - [ -0.0004073200000000, 0.0004185400000000, 0.0002240300000000 ] - [ 0.0000320500000000, 0.0001421000000000, -0.0004688900000000 ] - [ -0.0001304700000000, -0.0000475000000000, 0.0003725600000000 ] - [ 0.0000328100000000, 0.0000646200000000, -0.0005328000000000 ] - [ 0.0002371100000000, -0.0001401600000000, 0.0002375300000000 ] - [ -0.0000729600000000, 0.0000444400000000, 0.0001236000000000 ] - [ -0.0001910800000000, -0.0000079700000000, -0.0002180500000000 ] - [ -0.0013994000000000, -0.0012290900000000, 0.0019448000000000 ] - [ 0.0003116800000000, -0.0000211200000000, 0.0001950100000000 ] - [ -0.0011088300000000, 0.0013908400000000, 0.0005987600000000 ] - [ -0.0000730800000000, 0.0000033800000000, 0.0002923300000000 ] - [ 0.0001110000000000, -0.0001153900000000, -0.0007154700000000 ] - [ 0.0001652200000000, 0.0004312200000000, 0.0001644600000000 ] - [ 0.0001550700000000, -0.0019464500000000, -0.0056163800000000 ] - [ 0.0001050000000000, 0.0000285800000000, -0.0003731300000000 ] - [ 0.0002463400000000, -0.0001329600000000, 0.0006330100000000 ] - [ -0.0001225000000000, -0.0000245400000000, -0.0002823600000000 ] - [ 0.0139932000000000, 0.0064139100000000, -0.0033454800000000 ] - [ -0.0048195600000000, -0.0017965600000000, -0.0041182500000000 ] - [ 0.0001004300000000, 0.0000029600000000, 0.0004052600000000 ] - [ 0.0001033000000000, 0.0001265000000000, -0.0003440700000000 ] - [ -0.0471048000000000, -0.0016595400000000, 0.0058288800000000 ] - [ 0.0035939500000000, -0.0004202500000000, -0.0006943100000000 ] - [ -0.0002346100000000, -0.0002455600000000, 0.0001839800000000 ] - [ -0.0002727200000000, 0.0003246200000000, -0.0000835700000000 ] - [ -0.0003399400000000, -0.0002908700000000, -0.0000198700000000 ] - [ -0.0002794000000000, 0.0003072300000000, 0.0001347900000000 ] - [ 0.0187854200000000, 0.0006104000000000, 0.0000395600000000 ] - [ -0.0048092400000000, -0.0005417900000000, 0.0004319800000000 ] - [ 0.0153301200000000, -0.0004678500000000, 0.0057588500000000 ] - [ -0.0002942600000000, -0.0000172900000000, 0.0004615600000000 ] - [ 0.0000406500000000, -0.0001086400000000, -0.0003885400000000 ] - [ 0.0001459500000000, 0.0001556200000000, 0.0004048000000000 ] - [ 0.0004143600000000, -0.0003015000000000, 0.0003627800000000 ] - [ 0.0001181200000000, 0.0001322400000000, -0.0003772100000000 ] - [ -0.0026114900000000, 0.0011438300000000, 0.0025936800000000 ] - [ 0.0000878900000000, -0.0002018000000000, -0.0001035300000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001835200000000, 0.0002364800000000, 0.0000172700000000 ] - [ -0.0001804500000000, -0.0001379000000000, -0.0001749800000000 ] - [ -0.0003029700000000, 0.0006727400000000, 0.0006165000000000 ] - [ 0.0003964400000000, 0.0006183100000000, -0.0003937500000000 ] - [ 0.0016069300000000, -0.0018240200000000, 0.0011823300000000 ] - [ 0.0000739500000000, -0.0000902800000000, -0.0000996500000000 ] - [ -0.0004076000000000, 0.0002251800000000, -0.0002674700000000 ] - [ -0.0001794400000000, -0.0001294700000000, 0.0001433900000000 ] - [ -0.0003544200000000, 0.0000245700000000, 0.0002159700000000 ] - [ -0.0003266200000000, 0.0000481200000000, -0.0001149800000000 ] - [ -0.0025862100000000, -0.0017621500000000, -0.0005721000000000 ] - [ -0.0007796400000000, 0.0024892500000000, 0.0020044700000000 ] - [ -0.0001954100000000, 0.0002413400000000, 0.0001114300000000 ] - [ -0.0000469000000000, -0.0000928200000000, -0.0000785900000000 ] - [ 0.0011322500000000, 0.0009837000000000, 0.0021293700000000 ] - [ 0.0001606600000000, 0.0002145200000000, -0.0001395700000000 ] - [ -0.0012475600000000, -0.0014642000000000, 0.0024845100000000 ] - [ 0.0000603200000000, 0.0001226200000000, 0.0001024500000000 ] - [ 0.0003114700000000, -0.0002233800000000, -0.0002018400000000 ] - [ -0.0000784200000000, -0.0001540200000000, 0.0000520300000000 ] - [ -0.0002361300000000, 0.0003750800000000, 0.0003359500000000 ] - [ -0.0003802700000000, -0.0002155800000000, -0.0000952500000000 ] - [ -0.0024428000000000, 0.0001758800000000, -0.0015316900000000 ] - [ 0.0005065700000000, 0.0009047100000000, -0.0001121400000000 ] - [ 0.0019353000000000, -0.0015335900000000, -0.0009514600000000 ] - [ 0.0001463500000000, -0.0002062900000000, -0.0001452400000000 ] - [ -0.0004398900000000, 0.0001984800000000, -0.0000542100000000 ] - [ -0.0003925900000000, -0.0001866300000000, 0.0001345500000000 ] - [ 0.0001889400000000, 0.0001988700000000, -0.0001175700000000 ] - [ -0.0004503900000000, 0.0000075300000000, 0.0000184500000000 ] - [ -0.0001765400000000, -0.0001773300000000, -0.0001274900000000 ] - [ -0.0000531300000000, -0.0001288800000000, 0.0000575100000000 ] - [ -0.0002414700000000, -0.0001177900000000, 0.0000457100000000 ] - [ -0.0004902600000000, 0.0003847500000000, -0.0005055100000000 ] - [ 0.0001545200000000, 0.0002138000000000, 0.0000882900000000 ] - [ 0.0007754100000000, -0.0003339400000000, 0.0001137900000000 ] - [ -0.0000523000000000, -0.0006608000000000, -0.0004115300000000 ] - [ 0.0001889000000000, 0.0000044200000000, 0.0000988200000000 ] - [ -0.0009342700000000, 0.0001065400000000, -0.0003398500000000 ] - [ -0.0003991800000000, 0.0001240100000000, 0.0001131200000000 ] - [ 0.0011869200000000, 0.0000039800000000, -0.0003894100000000 ] - [ -0.0001468900000000, 0.0000260500000000, -0.0002016600000000 ] - [ 0.0003568900000000, 0.0001342800000000, -0.0000670700000000 ] - [ 0.0001874100000000, 0.0000921700000000, -0.0000923000000000 ] - [ -0.0000513200000000, 0.0001169700000000, 0.0003741600000000 ] - [ 0.0000265900000000, -0.0000243900000000, -0.0002971200000000 ] - [ 0.0007121000000000, -0.0000220900000000, -0.0002037500000000 ] - [ -0.0046089500000000, 0.0008334200000000, -0.0008801000000000 ] - [ -0.0002207600000000, -0.0002331900000000, -0.0003186300000000 ] - [ -0.0004059400000000, 0.0002615300000000, -0.0002117200000000 ] - [ 0.0016455000000000, -0.0025208400000000, 0.0021969100000000 ] - [ 0.0003892000000000, -0.0003211400000000, -0.0002107000000000 ] - [ -0.0025726100000000, 0.0045622700000000, -0.0001434700000000 ] - [ 0.0004237700000000, -0.0002757500000000, 0.0002739800000000 ] - [ -0.0005576800000000, -0.0001754400000000, -0.0002030500000000 ] - [ -0.0003969000000000, 0.0001582300000000, 0.0002222700000000 ] - [ -0.0001427900000000, -0.0001418500000000, -0.0003062400000000 ] - [ 0.0000171000000000, 0.0000488200000000, 0.0004025000000000 ] - [ 0.0000815500000000, -0.0000656600000000, -0.0002409200000000 ] - [ -0.0001284400000000, 0.0001435700000000, 0.0005354000000000 ] - [ -0.0001614500000000, -0.0000430500000000, 0.0001982700000000 ] - [ -0.0000438400000000, 0.0000067300000000, -0.0001016800000000 ] - [ 0.0016682000000000, 0.0012179400000000, -0.0015971700000000 ] - [ -0.0000840200000000, 0.0000206800000000, -0.0005114300000000 ] - [ 0.0009270700000000, -0.0012946700000000, -0.0011984100000000 ] - [ -0.0001205900000000, -0.0000789600000000, 0.0003165100000000 ] - [ 0.0000898100000000, 0.0000373100000000, 0.0001099700000000 ] - [ 0.0000248000000000, -0.0003618000000000, 0.0004431400000000 ] - [ -0.0000264900000000, 0.0018765500000000, 0.0062123200000000 ] - [ 0.0000898400000000, 0.0000485500000000, -0.0002340200000000 ] - [ -0.0004423300000000, 0.0002078100000000, -0.0000246700000000 ] - [ -0.0000711300000000, -0.0000501700000000, -0.0003255700000000 ] - [ -0.0141662100000000, -0.0062825200000000, 0.0040204500000000 ] - [ 0.0046424700000000, 0.0017589300000000, 0.0032965700000000 ] - [ 0.0001052400000000, -0.0000022700000000, 0.0003646900000000 ] - [ 0.0001025800000000, -0.0001270100000000, -0.0004270800000000 ] - [ 0.0475635200000000, 0.0020891400000000, -0.0054491200000000 ] - [ -0.0030411100000000, -0.0000971100000000, 0.0004830300000000 ] - [ -0.0003138400000000, -0.0002932700000000, 0.0000326500000000 ] - [ -0.0002766900000000, 0.0002151700000000, -0.0001360200000000 ] - [ -0.0002110500000000, -0.0002493000000000, -0.0002010000000000 ] - [ -0.0002694700000000, 0.0002323700000000, 0.0000828200000000 ] - [ -0.0182290600000000, -0.0000760500000000, -0.0001040800000000 ] - [ 0.0053578000000000, -0.0000606000000000, -0.0002223800000000 ] - [ -0.0156694500000000, 0.0006398200000000, -0.0066541400000000 ] - [ 0.0000656300000000, -0.0002444200000000, 0.0002750900000000 ] - [ 0.0001856900000000, -0.0001517600000000, -0.0003472000000000 ] - [ 0.0000798700000000, 0.0001032000000000, 0.0003302100000000 ] - [ -0.0001810700000000, 0.0000425200000000, 0.0003713900000000 ] - [ 0.0001111700000000, 0.0001270700000000, -0.0003563800000000 ] - [ 0.0023648100000000, -0.0008832200000000, -0.0018858000000000 ] - [ -0.0003120900000000, -0.0000603900000000, -0.0006311100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005420400000000, -0.0011199900000000, -0.0005087700000000 ] - [ -0.0002629200000000, -0.0013084000000000, 0.0000650800000000 ] - [ -0.0005184100000000, 0.0030443000000000, 0.0013944100000000 ] - [ 0.0001871700000000, -0.0001811400000000, 0.0007982900000000 ] - [ -0.0003758400000000, 0.0046383900000000, -0.0022185500000000 ] - [ -0.0000085200000000, -0.0000320800000000, -0.0009467600000000 ] - [ -0.0000501300000000, -0.0007906000000000, 0.0006212800000000 ] - [ -0.0002055200000000, -0.0014768700000000, -0.0000800200000000 ] - [ -0.0003590100000000, -0.0010052100000000, 0.0000512600000000 ] - [ -0.0003411800000000, -0.0010686000000000, -0.0002815000000000 ] - [ -0.0013144100000000, 0.0093686800000000, -0.0008863800000000 ] - [ -0.0013072900000000, 0.0057051800000000, -0.0023409100000000 ] - [ 0.0000199200000000, 0.0003750400000000, 0.0000327700000000 ] - [ -0.0002526400000000, -0.0010916200000000, -0.0000459200000000 ] - [ -0.0034473300000000, 0.0011888500000000, -0.0017671100000000 ] - [ 0.0000201900000000, -0.0012390700000000, -0.0007054100000000 ] - [ 0.0021471000000000, 0.0005419500000000, 0.0054976600000000 ] - [ 0.0005178200000000, -0.0015201300000000, 0.0001537000000000 ] - [ -0.0001455200000000, 0.0003058900000000, -0.0006281700000000 ] - [ -0.0002040200000000, -0.0009585800000000, 0.0002666500000000 ] - [ -0.0001824900000000, -0.0002033800000000, -0.0008854600000000 ] - [ -0.0004580600000000, -0.0009439100000000, -0.0002769600000000 ] - [ -0.0005502100000000, 0.0034506500000000, 0.0032892000000000 ] - [ -0.0006623600000000, -0.0010518100000000, 0.0005764900000000 ] - [ 0.0011059100000000, 0.0047420400000000, 0.0000586400000000 ] - [ 0.0001268900000000, -0.0009657300000000, -0.0012233800000000 ] - [ -0.0003024800000000, 0.0000955000000000, 0.0001998500000000 ] - [ -0.0005011400000000, -0.0010914200000000, 0.0003376000000000 ] - [ 0.0000842300000000, -0.0016004700000000, -0.0000731300000000 ] - [ 0.0002172900000000, -0.0032676700000000, 0.0003595500000000 ] - [ -0.0003476100000000, 0.0000072900000000, 0.0009353700000000 ] - [ -0.0005815300000000, 0.0021786300000000, 0.0001326100000000 ] - [ -0.0000766900000000, 0.0002383200000000, 0.0000943100000000 ] - [ -0.0006277200000000, 0.0026799200000000, -0.0002480300000000 ] - [ 0.0000845000000000, -0.0017377400000000, 0.0000324200000000 ] - [ 0.0001116700000000, -0.0023471100000000, 0.0006741000000000 ] - [ 0.0010673400000000, -0.0007320000000000, -0.0014979800000000 ] - [ 0.0001114600000000, -0.0006748300000000, -0.0001121500000000 ] - [ 0.0007571200000000, 0.0009136800000000, 0.0000797700000000 ] - [ -0.0002729800000000, -0.0013196200000000, 0.0014148700000000 ] - [ 0.0005078900000000, 0.0031023700000000, -0.0022941000000000 ] - [ -0.0006021100000000, -0.0005454800000000, -0.0009048800000000 ] - [ 0.0002660600000000, -0.0000811500000000, 0.0009844700000000 ] - [ 0.0000534000000000, -0.0009689900000000, 0.0000897400000000 ] - [ -0.0000398900000000, -0.0011805700000000, -0.0000064700000000 ] - [ -0.0000649600000000, -0.0008764400000000, -0.0001211500000000 ] - [ 0.0012340400000000, 0.0015544900000000, -0.0020648900000000 ] - [ 0.0010434000000000, 0.0068207100000000, 0.0017517400000000 ] - [ -0.0003626100000000, -0.0015131400000000, 0.0017184100000000 ] - [ -0.0003817800000000, 0.0009247000000000, 0.0000311100000000 ] - [ 0.0026933300000000, 0.0070557000000000, -0.0053706300000000 ] - [ 0.0002840700000000, 0.0018885500000000, -0.0001912000000000 ] - [ -0.0026590000000000, 0.0060145300000000, -0.0000217800000000 ] - [ 0.0003203100000000, 0.0017468200000000, 0.0005014800000000 ] - [ -0.0004450500000000, -0.0012443700000000, -0.0003757400000000 ] - [ -0.0004699000000000, 0.0011615200000000, -0.0005850800000000 ] - [ 0.0000821500000000, 0.0021933900000000, -0.0003271000000000 ] - [ -0.0001069600000000, 0.0020047100000000, 0.0000051100000000 ] - [ 0.0001233800000000, -0.0015312000000000, -0.0006598500000000 ] - [ 0.0003661000000000, -0.0018667000000000, -0.0004229900000000 ] - [ -0.0001309900000000, 0.0013541200000000, -0.0001685200000000 ] - [ -0.0001937400000000, 0.0017634700000000, 0.0001140300000000 ] - [ -0.0035878400000000, -0.0015463500000000, -0.0061433900000000 ] - [ -0.0002420800000000, -0.0013634300000000, 0.0011214000000000 ] - [ 0.0010570800000000, 0.0051931000000000, 0.0029390000000000 ] - [ 0.0001060400000000, 0.0014000900000000, 0.0004802400000000 ] - [ 0.0005299500000000, -0.0013745200000000, -0.0008282500000000 ] - [ 0.0004657600000000, 0.0016037000000000, -0.0011246800000000 ] - [ -0.0015957400000000, -0.0032625200000000, 0.0055872400000000 ] - [ 0.0000613900000000, 0.0005991400000000, 0.0004997600000000 ] - [ -0.0002937100000000, 0.0005844600000000, -0.0009453600000000 ] - [ 0.0001380500000000, 0.0018289500000000, -0.0004500500000000 ] - [ 0.0068624000000000, -0.0011859400000000, -0.0042679400000000 ] - [ -0.0021374400000000, -0.0000262700000000, 0.0118957000000000 ] - [ 0.0001620400000000, 0.0011123000000000, 0.0003127200000000 ] - [ 0.0001647500000000, 0.0015342000000000, -0.0001693900000000 ] - [ -0.0015478900000000, -0.0546415500000000, -0.0067778400000000 ] - [ 0.0004354800000000, 0.0029194800000000, 0.0019728800000000 ] - [ -0.0002499800000000, 0.0004351400000000, 0.0001904200000000 ] - [ -0.0003283900000000, 0.0014434200000000, -0.0001433500000000 ] - [ -0.0002941300000000, 0.0006061000000000, 0.0004699400000000 ] - [ -0.0003111600000000, 0.0013420400000000, 0.0001136800000000 ] - [ 0.0006162400000000, -0.0091506500000000, 0.0001520900000000 ] - [ 0.0005146200000000, 0.0181471100000000, 0.0002597500000000 ] - [ 0.0047049600000000, -0.0025094200000000, 0.0050328400000000 ] - [ 0.0004496600000000, -0.0003436400000000, 0.0007488900000000 ] - [ -0.0000730600000000, -0.0002914400000000, -0.0006581600000000 ] - [ 0.0005039500000000, 0.0002931700000000, 0.0007838400000000 ] - [ -0.0003571400000000, -0.0004906200000000, 0.0008022200000000 ] - [ 0.0003984500000000, 0.0002793400000000, -0.0007259900000000 ] - [ -0.0006356100000000, -0.0022326300000000, -0.0046361300000000 ] - [ 0.0003056400000000, -0.0004261300000000, -0.0005130800000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001680900000000, 0.0014482400000000, 0.0008082100000000 ] - [ -0.0001136900000000, 0.0009775400000000, -0.0003625600000000 ] - [ 0.0008959800000000, -0.0033689000000000, -0.0011022800000000 ] - [ 0.0001920400000000, 0.0005156800000000, -0.0010888700000000 ] - [ 0.0007528300000000, -0.0049607900000000, 0.0019263000000000 ] - [ 0.0003848100000000, 0.0003651900000000, 0.0012382900000000 ] - [ -0.0003291100000000, 0.0011190600000000, -0.0009222700000000 ] - [ -0.0001711000000000, 0.0011441200000000, 0.0003746900000000 ] - [ -0.0003278100000000, 0.0010021100000000, 0.0002922700000000 ] - [ -0.0003458300000000, 0.0010651000000000, -0.0000610100000000 ] - [ 0.0016365000000000, -0.0090312400000000, 0.0013239800000000 ] - [ 0.0021884800000000, -0.0054623300000000, 0.0021256600000000 ] - [ -0.0001771300000000, -0.0000193600000000, 0.0000937200000000 ] - [ 0.0000949900000000, 0.0007330100000000, -0.0000801500000000 ] - [ 0.0035106500000000, -0.0016732900000000, 0.0018903500000000 ] - [ 0.0001334600000000, 0.0015968400000000, 0.0005660600000000 ] - [ -0.0019624400000000, -0.0009763800000000, -0.0055855400000000 ] - [ -0.0003483800000000, 0.0018767700000000, -0.0000204100000000 ] - [ -0.0000113300000000, 0.0000459500000000, 0.0004983100000000 ] - [ 0.0000455000000000, 0.0005986300000000, -0.0001371200000000 ] - [ -0.0005970000000000, 0.0006734100000000, 0.0011111700000000 ] - [ -0.0003213800000000, 0.0004678000000000, 0.0000536400000000 ] - [ 0.0013167900000000, -0.0039663800000000, -0.0030234900000000 ] - [ 0.0014248000000000, 0.0015249500000000, -0.0007935600000000 ] - [ -0.0002464200000000, -0.0052396500000000, -0.0003108800000000 ] - [ 0.0006544700000000, 0.0014388500000000, 0.0014329000000000 ] - [ -0.0004775900000000, 0.0003774000000000, -0.0004238200000000 ] - [ -0.0002806500000000, 0.0006151700000000, -0.0001112000000000 ] - [ 0.0002528300000000, 0.0019596400000000, -0.0001216800000000 ] - [ 0.0001187200000000, 0.0029203300000000, -0.0001653300000000 ] - [ 0.0000084100000000, -0.0003640400000000, -0.0011259200000000 ] - [ 0.0002422300000000, -0.0018107100000000, 0.0000592700000000 ] - [ -0.0002593500000000, -0.0005944800000000, 0.0000981600000000 ] - [ 0.0002881800000000, -0.0023089100000000, 0.0000508600000000 ] - [ 0.0002535200000000, 0.0020984700000000, 0.0001596500000000 ] - [ 0.0002297600000000, 0.0019863300000000, -0.0008706200000000 ] - [ -0.0007015600000000, 0.0007244300000000, 0.0012952600000000 ] - [ 0.0002591100000000, 0.0006805200000000, 0.0003208500000000 ] - [ -0.0011176700000000, -0.0009094900000000, -0.0002841600000000 ] - [ -0.0000941700000000, 0.0013085600000000, -0.0011933600000000 ] - [ -0.0008986300000000, -0.0031563100000000, 0.0024187000000000 ] - [ 0.0002296300000000, 0.0005417700000000, 0.0006941600000000 ] - [ 0.0001060500000000, 0.0000719800000000, -0.0007806700000000 ] - [ 0.0003180400000000, 0.0009743600000000, -0.0002979800000000 ] - [ 0.0000694600000000, 0.0011788700000000, 0.0006573200000000 ] - [ 0.0000939500000000, 0.0008737500000000, -0.0005290000000000 ] - [ -0.0012554000000000, -0.0015457100000000, 0.0027114100000000 ] - [ -0.0009714400000000, -0.0065421400000000, -0.0026701700000000 ] - [ -0.0004347900000000, 0.0009322100000000, -0.0012644200000000 ] - [ -0.0004177200000000, -0.0003437400000000, -0.0004737100000000 ] - [ -0.0019273500000000, -0.0065197500000000, 0.0058739500000000 ] - [ 0.0005159800000000, -0.0024658200000000, -0.0002515900000000 ] - [ 0.0035021600000000, -0.0054496500000000, -0.0004282700000000 ] - [ 0.0004769400000000, -0.0023249900000000, -0.0000546800000000 ] - [ -0.0003540700000000, 0.0006632100000000, -0.0000683500000000 ] - [ -0.0003291600000000, -0.0005799500000000, 0.0010231000000000 ] - [ -0.0001968500000000, -0.0021916200000000, -0.0004489100000000 ] - [ -0.0000042400000000, -0.0020041100000000, 0.0007725000000000 ] - [ -0.0000102700000000, 0.0015247300000000, -0.0001142500000000 ] - [ -0.0002546600000000, 0.0018587100000000, 0.0011972100000000 ] - [ -0.0000986700000000, -0.0013524300000000, 0.0004901100000000 ] - [ -0.0000335100000000, -0.0017616700000000, -0.0004352400000000 ] - [ 0.0038066200000000, 0.0015199300000000, 0.0064423900000000 ] - [ 0.0004711200000000, 0.0013573000000000, -0.0014394600000000 ] - [ -0.0012676100000000, -0.0051310100000000, -0.0035848800000000 ] - [ -0.0002927000000000, -0.0014847800000000, 0.0001275500000000 ] - [ -0.0003415400000000, 0.0012897800000000, 0.0002185700000000 ] - [ -0.0002759700000000, -0.0015198900000000, 0.0017189000000000 ] - [ 0.0017701100000000, 0.0032042800000000, -0.0049459000000000 ] - [ 0.0001247300000000, -0.0005157800000000, -0.0011024600000000 ] - [ 0.0001054500000000, -0.0004924700000000, 0.0015539100000000 ] - [ -0.0003251600000000, -0.0019083500000000, -0.0001572700000000 ] - [ -0.0070258500000000, 0.0011290100000000, 0.0050229700000000 ] - [ 0.0019270000000000, -0.0000253800000000, -0.0126046800000000 ] - [ 0.0000365600000000, -0.0011092200000000, 0.0004554800000000 ] - [ 0.0000328300000000, -0.0015291400000000, -0.0005990300000000 ] - [ 0.0022013400000000, 0.0545310000000000, 0.0070416400000000 ] - [ 0.0001127400000000, -0.0034370100000000, -0.0021765800000000 ] - [ -0.0002975300000000, -0.0009558000000000, 0.0000253000000000 ] - [ -0.0002192200000000, -0.0009160200000000, -0.0000732800000000 ] - [ -0.0002531700000000, -0.0011263400000000, -0.0006856700000000 ] - [ -0.0002364300000000, -0.0008151900000000, 0.0001007300000000 ] - [ -0.0000700700000000, 0.0096679300000000, -0.0004110400000000 ] - [ 0.0000328800000000, -0.0184273300000000, -0.0000399100000000 ] - [ -0.0049340100000000, 0.0027876400000000, -0.0057691400000000 ] - [ -0.0006779300000000, 0.0000747200000000, -0.0000041600000000 ] - [ 0.0003028000000000, 0.0000294900000000, -0.0000785800000000 ] - [ -0.0002736200000000, -0.0000309700000000, -0.0000441300000000 ] - [ 0.0005888500000000, 0.0002293400000000, -0.0000681600000000 ] - [ -0.0001672400000000, -0.0000163200000000, -0.0000125500000000 ] - [ 0.0003856500000000, 0.0025046400000000, 0.0053648600000000 ] - [ -0.0005356500000000, 0.0001561300000000, -0.0002320400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005611200000000, -0.0004063400000000, 0.0007125800000000 ] - [ -0.0001397100000000, -0.0000814600000000, -0.0002230800000000 ] - [ 0.0002226200000000, -0.0011620700000000, -0.0026838300000000 ] - [ 0.0000770400000000, 0.0015419000000000, 0.0001705100000000 ] - [ 0.0005401500000000, -0.0000092600000000, -0.0003926300000000 ] - [ -0.0001571100000000, -0.0010694300000000, -0.0012251700000000 ] - [ 0.0000316500000000, 0.0007259000000000, -0.0004923700000000 ] - [ -0.0002112500000000, -0.0002826600000000, 0.0003269800000000 ] - [ -0.0003646300000000, -0.0000268200000000, -0.0004760200000000 ] - [ -0.0003006800000000, -0.0002211600000000, -0.0007987900000000 ] - [ 0.0001927400000000, -0.0007070000000000, 0.0086328600000000 ] - [ -0.0010707600000000, -0.0022318300000000, 0.0061927500000000 ] - [ 0.0000628200000000, 0.0002132000000000, -0.0015646300000000 ] - [ -0.0000247400000000, 0.0000763100000000, -0.0004952200000000 ] - [ 0.0005747800000000, -0.0007167200000000, 0.0051998300000000 ] - [ 0.0000815400000000, -0.0003528200000000, 0.0005349200000000 ] - [ -0.0017251400000000, 0.0028585000000000, 0.0004760800000000 ] - [ 0.0002662100000000, 0.0002458400000000, 0.0010508500000000 ] - [ 0.0002515600000000, -0.0009861600000000, -0.0017426800000000 ] - [ -0.0000466000000000, -0.0001675900000000, -0.0004785100000000 ] - [ -0.0000700900000000, -0.0004659500000000, -0.0007326300000000 ] - [ -0.0005025700000000, -0.0001866900000000, -0.0003954200000000 ] - [ -0.0006674600000000, 0.0008552900000000, -0.0006638300000000 ] - [ 0.0003596700000000, 0.0008913700000000, 0.0011403100000000 ] - [ -0.0024922700000000, 0.0000157600000000, 0.0058577200000000 ] - [ 0.0003474200000000, -0.0012991000000000, 0.0004197200000000 ] - [ -0.0007393100000000, 0.0005202900000000, -0.0010769700000000 ] - [ -0.0003325200000000, -0.0002392500000000, -0.0000130500000000 ] - [ 0.0001722800000000, 0.0001560100000000, 0.0003365300000000 ] - [ -0.0000038500000000, 0.0000025400000000, 0.0021415800000000 ] - [ 0.0001359400000000, 0.0007652500000000, -0.0020247000000000 ] - [ -0.0002492500000000, -0.0001654900000000, -0.0027936400000000 ] - [ -0.0001417600000000, 0.0000216200000000, -0.0014660800000000 ] - [ -0.0000839600000000, 0.0004240800000000, -0.0039035500000000 ] - [ 0.0001506200000000, 0.0001199200000000, 0.0006571300000000 ] - [ 0.0005796300000000, 0.0003441100000000, 0.0012463000000000 ] - [ 0.0008719500000000, -0.0017376900000000, -0.0002085900000000 ] - [ 0.0000755500000000, -0.0001688000000000, -0.0000046000000000 ] - [ -0.0028298700000000, 0.0003947300000000, -0.0020719600000000 ] - [ -0.0007440300000000, 0.0009830500000000, 0.0004959300000000 ] - [ -0.0017201800000000, -0.0016359100000000, 0.0031701700000000 ] - [ -0.0003822000000000, -0.0004851400000000, -0.0006199900000000 ] - [ -0.0002054500000000, 0.0008814800000000, -0.0005328200000000 ] - [ 0.0002532600000000, 0.0003013300000000, 0.0000323300000000 ] - [ 0.0001553100000000, -0.0004406400000000, 0.0001792900000000 ] - [ -0.0000487300000000, 0.0002796500000000, -0.0007379600000000 ] - [ 0.0019855500000000, -0.0011217600000000, -0.0011090700000000 ] - [ 0.0004601800000000, 0.0025116800000000, 0.0035825500000000 ] - [ -0.0000771400000000, 0.0004550800000000, 0.0037364700000000 ] - [ -0.0003575700000000, 0.0003096200000000, 0.0009276500000000 ] - [ -0.0018252800000000, -0.0057245300000000, -0.0010291000000000 ] - [ 0.0005188800000000, -0.0002684300000000, -0.0009267000000000 ] - [ 0.0011885600000000, 0.0015804200000000, -0.0045880600000000 ] - [ 0.0002855200000000, 0.0001389700000000, -0.0002886100000000 ] - [ -0.0001658000000000, -0.0003901800000000, 0.0033387500000000 ] - [ -0.0002957500000000, -0.0003932100000000, 0.0009676000000000 ] - [ -0.0000124100000000, 0.0002037900000000, -0.0011611400000000 ] - [ -0.0000976800000000, -0.0003664200000000, -0.0001129800000000 ] - [ 0.0000070500000000, 0.0003253800000000, 0.0024667200000000 ] - [ -0.0003371100000000, -0.0008644100000000, 0.0028250100000000 ] - [ -0.0001705900000000, -0.0004658200000000, 0.0000873000000000 ] - [ -0.0001011900000000, 0.0004974000000000, -0.0006086100000000 ] - [ 0.0043725100000000, -0.0046498700000000, 0.0080958500000000 ] - [ 0.0001683100000000, 0.0008640900000000, 0.0018997000000000 ] - [ 0.0004006300000000, 0.0041515500000000, -0.0010572300000000 ] - [ -0.0000238600000000, 0.0003793800000000, 0.0003170400000000 ] - [ -0.0005033500000000, -0.0003749400000000, 0.0030269100000000 ] - [ -0.0003252100000000, -0.0016808500000000, 0.0007768500000000 ] - [ -0.0056990700000000, 0.0047496700000000, 0.0119165200000000 ] - [ 0.0000000300000000, 0.0006139400000000, 0.0006775100000000 ] - [ 0.0004979300000000, -0.0022134900000000, 0.0006843700000000 ] - [ -0.0000750300000000, -0.0002335600000000, -0.0006208200000000 ] - [ -0.0062976000000000, -0.0049237400000000, -0.0041761200000000 ] - [ -0.0035433900000000, 0.0114129700000000, 0.0120090000000000 ] - [ 0.0001665300000000, -0.0004051500000000, 0.0008709400000000 ] - [ 0.0000276200000000, 0.0006467200000000, -0.0000552800000000 ] - [ 0.0059493500000000, -0.0066808300000000, -0.0546762100000000 ] - [ 0.0008631100000000, 0.0018001400000000, -0.0007141600000000 ] - [ -0.0003500200000000, -0.0003546100000000, 0.0014604600000000 ] - [ -0.0002485000000000, 0.0003048100000000, 0.0003058600000000 ] - [ -0.0001850500000000, 0.0003055100000000, 0.0011484400000000 ] - [ -0.0003006400000000, 0.0002757100000000, 0.0006031400000000 ] - [ 0.0001986600000000, -0.0000028200000000, -0.0014289000000000 ] - [ 0.0005986800000000, -0.0004523400000000, -0.0059766100000000 ] - [ 0.0084212600000000, 0.0017614300000000, -0.0009032100000000 ] - [ 0.0003973200000000, 0.0000982600000000, 0.0000516400000000 ] - [ 0.0005853900000000, 0.0002374200000000, 0.0000384500000000 ] - [ 0.0000323200000000, 0.0001071600000000, 0.0003337200000000 ] - [ -0.0005629200000000, -0.0001500000000000, 0.0001186800000000 ] - [ 0.0002005800000000, 0.0000248700000000, -0.0001963900000000 ] - [ 0.0047826200000000, 0.0010561700000000, 0.0075571600000000 ] - [ -0.0001409400000000, -0.0004673400000000, -0.0013506900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001807800000000, 0.0007413800000000, -0.0004325500000000 ] - [ -0.0002393600000000, -0.0002516300000000, -0.0000627300000000 ] - [ 0.0001540600000000, 0.0008266100000000, 0.0029663500000000 ] - [ 0.0003050800000000, -0.0012143700000000, -0.0004681400000000 ] - [ -0.0001709900000000, -0.0003200100000000, 0.0000893500000000 ] - [ 0.0005289100000000, 0.0013878200000000, 0.0015126700000000 ] - [ -0.0004106600000000, -0.0003896800000000, 0.0002088000000000 ] - [ -0.0001677000000000, -0.0000501800000000, -0.0000424200000000 ] - [ -0.0003209800000000, 0.0000295800000000, 0.0008126500000000 ] - [ -0.0003853600000000, 0.0002234100000000, 0.0004596100000000 ] - [ 0.0004340000000000, 0.0007494000000000, -0.0082700200000000 ] - [ 0.0018663100000000, 0.0023520300000000, -0.0064528000000000 ] - [ -0.0002205200000000, 0.0001474400000000, 0.0016895800000000 ] - [ -0.0001325700000000, -0.0004320900000000, 0.0003682100000000 ] - [ -0.0004630200000000, 0.0003229400000000, -0.0051001200000000 ] - [ 0.0000728600000000, 0.0007123800000000, -0.0006552600000000 ] - [ 0.0019071800000000, -0.0032615100000000, -0.0005045900000000 ] - [ -0.0001072800000000, 0.0001190000000000, -0.0009229400000000 ] - [ -0.0004189100000000, 0.0013567600000000, 0.0016226700000000 ] - [ -0.0001114200000000, -0.0001906700000000, 0.0006054400000000 ] - [ -0.0007134200000000, 0.0009385200000000, 0.0009542300000000 ] - [ -0.0002790300000000, -0.0002856900000000, 0.0001713400000000 ] - [ 0.0013443400000000, -0.0014199800000000, 0.0011464500000000 ] - [ 0.0004208100000000, -0.0004154900000000, -0.0013690600000000 ] - [ 0.0033717100000000, -0.0005100100000000, -0.0061313000000000 ] - [ 0.0004415200000000, 0.0017645800000000, -0.0001892800000000 ] - [ -0.0000453200000000, -0.0000444800000000, 0.0008497100000000 ] - [ -0.0004536300000000, -0.0002317300000000, 0.0002390700000000 ] - [ 0.0001652000000000, 0.0002083600000000, -0.0005291400000000 ] - [ 0.0003377800000000, -0.0003708600000000, -0.0019468800000000 ] - [ -0.0004804900000000, -0.0011388800000000, 0.0018323100000000 ] - [ -0.0000894700000000, 0.0005293200000000, 0.0029824600000000 ] - [ -0.0001955700000000, -0.0003907800000000, 0.0016576600000000 ] - [ -0.0002510800000000, -0.0000628100000000, 0.0037219600000000 ] - [ 0.0001872400000000, 0.0002462200000000, -0.0004643100000000 ] - [ -0.0002407600000000, -0.0007092500000000, -0.0014341500000000 ] - [ -0.0004922400000000, 0.0017384800000000, -0.0000109500000000 ] - [ 0.0003038600000000, 0.0001776700000000, 0.0002193600000000 ] - [ 0.0024302200000000, -0.0003858700000000, 0.0018557300000000 ] - [ 0.0003737500000000, -0.0009932400000000, -0.0002912300000000 ] - [ 0.0012311300000000, 0.0015063300000000, -0.0033060300000000 ] - [ 0.0000064900000000, 0.0004778400000000, 0.0004121500000000 ] - [ 0.0005834800000000, -0.0008869800000000, 0.0007465300000000 ] - [ 0.0001277500000000, -0.0002909700000000, -0.0002480800000000 ] - [ -0.0001255400000000, 0.0004425300000000, 0.0004676300000000 ] - [ 0.0000768900000000, -0.0002783100000000, 0.0000900700000000 ] - [ -0.0019961500000000, 0.0011142100000000, 0.0017696800000000 ] - [ -0.0004108400000000, -0.0022660400000000, -0.0045215600000000 ] - [ -0.0007314000000000, -0.0010373900000000, -0.0032893800000000 ] - [ -0.0004474400000000, 0.0002705400000000, -0.0013763000000000 ] - [ 0.0026210700000000, 0.0062880300000000, 0.0014449800000000 ] - [ 0.0002865600000000, -0.0003127600000000, 0.0004790600000000 ] - [ -0.0003883900000000, -0.0009805900000000, 0.0041434000000000 ] - [ 0.0005169200000000, -0.0007191700000000, 0.0007322200000000 ] - [ -0.0006376300000000, -0.0001898200000000, -0.0037814000000000 ] - [ -0.0005095900000000, 0.0009734700000000, -0.0005174900000000 ] - [ -0.0001005500000000, -0.0002034500000000, 0.0003866600000000 ] - [ -0.0000143000000000, 0.0003661000000000, 0.0008847500000000 ] - [ 0.0001043600000000, -0.0003199600000000, -0.0032422800000000 ] - [ 0.0004542100000000, 0.0008704800000000, -0.0020494600000000 ] - [ -0.0000652000000000, 0.0004641500000000, 0.0002320400000000 ] - [ -0.0001330800000000, -0.0004984000000000, 0.0002895400000000 ] - [ -0.0041764500000000, 0.0047089900000000, -0.0078404200000000 ] - [ 0.0000678900000000, -0.0008578700000000, -0.0022242100000000 ] - [ -0.0006021800000000, -0.0040765700000000, 0.0004635000000000 ] - [ -0.0001679500000000, -0.0004575600000000, 0.0002891600000000 ] - [ 0.0006937300000000, 0.0002955200000000, -0.0036216700000000 ] - [ 0.0005186300000000, 0.0017581700000000, -0.0001645600000000 ] - [ 0.0059744100000000, -0.0048873800000000, -0.0114062800000000 ] - [ 0.0001905700000000, -0.0005343600000000, -0.0012884800000000 ] - [ -0.0006867600000000, 0.0022784000000000, -0.0000823000000000 ] - [ -0.0001179500000000, 0.0001541800000000, 0.0000141800000000 ] - [ 0.0061052500000000, 0.0049174800000000, 0.0050080500000000 ] - [ 0.0032996000000000, -0.0112644100000000, -0.0126742700000000 ] - [ 0.0000394200000000, 0.0004014100000000, -0.0001022200000000 ] - [ 0.0001774100000000, -0.0006480400000000, -0.0007127300000000 ] - [ -0.0053278000000000, 0.0071375000000000, 0.0550806800000000 ] - [ -0.0003148500000000, -0.0023468900000000, 0.0004817800000000 ] - [ -0.0001987200000000, -0.0001869400000000, -0.0012424000000000 ] - [ -0.0003007400000000, 0.0002320800000000, -0.0005229200000000 ] - [ -0.0003658700000000, -0.0008473200000000, -0.0013648400000000 ] - [ -0.0002483300000000, 0.0002609100000000, -0.0003862600000000 ] - [ 0.0003419300000000, 0.0005575500000000, 0.0011498800000000 ] - [ -0.0000554100000000, -0.0001505400000000, 0.0062035000000000 ] - [ -0.0087234100000000, -0.0015443100000000, 0.0002257500000000 ] - [ -0.0006234600000000, -0.0003554600000000, 0.0006780000000000 ] - [ -0.0003567100000000, -0.0004967600000000, -0.0007776600000000 ] - [ 0.0001936900000000, 0.0001534600000000, 0.0004026800000000 ] - [ 0.0007977900000000, -0.0001137400000000, 0.0006217700000000 ] - [ 0.0000282300000000, 0.0002349900000000, -0.0005393600000000 ] - [ -0.0049564600000000, -0.0008214600000000, -0.0067199800000000 ] - [ -0.0000900900000000, 0.0002064900000000, 0.0006171900000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010668000000000, 0.0006912400000000, -0.0001471000000000 ] - [ -0.0001370500000000, 0.0000510700000000, -0.0001902700000000 ] - [ 0.0001112100000000, -0.0000922000000000, 0.0005991200000000 ] - [ 0.0005878100000000, 0.0010323900000000, -0.0008744100000000 ] - [ 0.0386655400000000, -0.0171448400000000, 0.0121286800000000 ] - [ 0.0002002200000000, 0.0002368600000000, 0.0002677700000000 ] - [ -0.0001296500000000, 0.0002829500000000, -0.0002810900000000 ] - [ -0.0001700200000000, 0.0002324500000000, 0.0001432100000000 ] - [ -0.0003465300000000, 0.0002887800000000, 0.0004045300000000 ] - [ -0.0003703200000000, 0.0003453100000000, 0.0000273000000000 ] - [ 0.0013872300000000, 0.0002927500000000, 0.0005521800000000 ] - [ -0.0010875800000000, 0.0006523300000000, 0.0011549700000000 ] - [ -0.0003327700000000, 0.0002735500000000, 0.0007357500000000 ] - [ -0.0000665600000000, 0.0000938400000000, -0.0000577700000000 ] - [ 0.0457807600000000, -0.0189784800000000, 0.0177997800000000 ] - [ 0.0000488300000000, 0.0004324000000000, 0.0000360100000000 ] - [ -0.0006952000000000, -0.0010387200000000, 0.0015699300000000 ] - [ 0.0001758900000000, 0.0005815800000000, 0.0002495400000000 ] - [ 0.0005390400000000, -0.0001674200000000, 0.0002358600000000 ] - [ -0.0000395300000000, 0.0000290800000000, 0.0000291200000000 ] - [ 0.0003448300000000, 0.0013854400000000, 0.0012413000000000 ] - [ -0.0003632700000000, -0.0000889100000000, -0.0000328900000000 ] - [ 0.0004078500000000, -0.0006209200000000, -0.0000031600000000 ] - [ 0.0001306800000000, 0.0016398300000000, -0.0001366400000000 ] - [ 0.1051403800000000, -0.0114789300000000, -0.0390389600000000 ] - [ 0.0004514500000000, 0.0004410700000000, 0.0002683500000000 ] - [ -0.0003325000000000, 0.0001959600000000, 0.0001093000000000 ] - [ -0.0003503100000000, 0.0000811100000000, 0.0000754000000000 ] - [ 0.0002162100000000, 0.0005788100000000, -0.0001360300000000 ] - [ -0.0011385500000000, 0.0002894100000000, -0.0013617800000000 ] - [ -0.0005343100000000, -0.0001436000000000, -0.0001171400000000 ] - [ 0.0002447900000000, -0.0009929800000000, 0.0001794600000000 ] - [ -0.0004145700000000, -0.0003431800000000, 0.0001661000000000 ] - [ -0.0013254000000000, -0.0003754600000000, 0.0006785100000000 ] - [ 0.0001703100000000, 0.0006265800000000, 0.0000324900000000 ] - [ 0.0011289600000000, -0.0000732400000000, 0.0000624800000000 ] - [ -0.0011084500000000, -0.0005790300000000, -0.0006734500000000 ] - [ 0.0002068800000000, 0.0001321500000000, 0.0001658100000000 ] - [ -0.0002730900000000, -0.0003312600000000, 0.0003585100000000 ] - [ 0.0000082100000000, 0.0001306200000000, -0.0001438600000000 ] - [ 0.1283242800000000, -0.0098358300000000, -0.0419943500000000 ] - [ -0.0001452300000000, 0.0001592500000000, 0.0000437700000000 ] - [ 0.0001723100000000, -0.0000973900000000, 0.0002747800000000 ] - [ 0.0002079400000000, 0.0003036200000000, -0.0001968600000000 ] - [ -0.0002160300000000, 0.0007592400000000, 0.0005911900000000 ] - [ 0.0000182400000000, 0.0001117500000000, -0.0002029000000000 ] - [ -0.0000422600000000, 0.0004811700000000, 0.0010565000000000 ] - [ -0.0027799900000000, -0.0010786200000000, -0.0008506400000000 ] - [ -0.0035095600000000, 0.0009951900000000, -0.0064041100000000 ] - [ -0.0004297500000000, 0.0001027100000000, -0.0002591400000000 ] - [ 0.0016359300000000, -0.0003111700000000, 0.0022976600000000 ] - [ 0.0004591600000000, -0.0008812100000000, -0.0002746800000000 ] - [ 0.0007067800000000, 0.0101142000000000, -0.0044971500000000 ] - [ 0.0003950800000000, -0.0006880000000000, 0.0001578300000000 ] - [ -0.0003815700000000, -0.0000119500000000, -0.0007591000000000 ] - [ -0.0004422600000000, 0.0000376500000000, 0.0004791200000000 ] - [ -0.0002949200000000, -0.0007639100000000, 0.0000273500000000 ] - [ 0.0000437700000000, -0.0001857600000000, 0.0004915700000000 ] - [ -0.0000390200000000, 0.0002810100000000, -0.0005247900000000 ] - [ 0.0019088200000000, -0.0006679500000000, 0.0015602200000000 ] - [ -0.0001036800000000, -0.0001154900000000, 0.0002046300000000 ] - [ 0.0001867000000000, -0.0004843300000000, 0.0000996800000000 ] - [ -0.0005002600000000, 0.0053767500000000, -0.0021232600000000 ] - [ 0.0002297700000000, 0.0000482700000000, -0.0005851900000000 ] - [ 0.0052342200000000, -0.0147237100000000, 0.0002162700000000 ] - [ -0.0001287200000000, -0.0003255500000000, 0.0002673500000000 ] - [ 0.0000189800000000, 0.0003525300000000, -0.0008611500000000 ] - [ 0.0002439200000000, -0.0003208700000000, 0.0006402400000000 ] - [ 0.0221415200000000, 0.0018043900000000, 0.0106491300000000 ] - [ 0.0000778700000000, -0.0001577000000000, -0.0004632400000000 ] - [ -0.0003078000000000, 0.0003438300000000, 0.0002885100000000 ] - [ -0.0001932500000000, -0.0005824500000000, -0.0002097000000000 ] - [ 0.0029883100000000, -0.0166603400000000, -0.0008264700000000 ] - [ -0.0001143500000000, 0.0000411200000000, -0.0006068200000000 ] - [ 0.0000902900000000, -0.0001343700000000, 0.0002441800000000 ] - [ -0.0000641800000000, -0.0007299700000000, -0.0005690900000000 ] - [ 0.0158872500000000, 0.0051207000000000, 0.0087492300000000 ] - [ 0.0000956100000000, -0.0008354100000000, -0.0006194600000000 ] - [ -0.0003476900000000, -0.0004585600000000, -0.0003622000000000 ] - [ -0.0002419700000000, -0.0001176800000000, -0.0001914000000000 ] - [ 0.0000232900000000, -0.0007420800000000, -0.0007908000000000 ] - [ -0.0002706900000000, -0.0000117600000000, 0.0000228100000000 ] - [ -0.0022169200000000, -0.0002326000000000, -0.0049795200000000 ] - [ 0.0004720300000000, -0.0006932300000000, 0.0000856500000000 ] - [ -0.3549185700000000, 0.0677347100000000, 0.0452531600000000 ] - [ -0.0001910600000000, -0.0000962200000000, 0.0003305500000000 ] - [ 0.0000124100000000, -0.0001857700000000, -0.0005931800000000 ] - [ -0.0000170600000000, 0.0000871900000000, 0.0002427200000000 ] - [ -0.0009554600000000, -0.0000925300000000, 0.0002493900000000 ] - [ 0.0000465100000000, 0.0001051200000000, -0.0003164200000000 ] - [ 0.0001103800000000, -0.0004478100000000, 0.0000342200000000 ] - [ -0.0006773300000000, -0.0002585700000000, -0.0005730700000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014430400000000, -0.0003528700000000, 0.0004369200000000 ] - [ -0.0002416400000000, -0.0003835000000000, -0.0000980300000000 ] - [ 0.0002678700000000, -0.0002405100000000, -0.0003126500000000 ] - [ -0.0002087000000000, -0.0007023200000000, 0.0005883100000000 ] - [ -0.0382134300000000, 0.0171551400000000, -0.0128020900000000 ] - [ 0.0001785300000000, 0.0000959500000000, 0.0000209900000000 ] - [ -0.0002446000000000, 0.0000439000000000, -0.0000011300000000 ] - [ -0.0002081300000000, -0.0005647100000000, 0.0001427900000000 ] - [ -0.0003381500000000, -0.0002889300000000, -0.0000713500000000 ] - [ -0.0003142300000000, -0.0003457700000000, -0.0003587100000000 ] - [ -0.0007172400000000, -0.0002755600000000, -0.0002207600000000 ] - [ 0.0017721400000000, -0.0006448000000000, -0.0014872200000000 ] - [ 0.0001740900000000, 0.0000827000000000, -0.0006095100000000 ] - [ -0.0000895000000000, -0.0004466400000000, -0.0000634200000000 ] - [ -0.0456262700000000, 0.0182262300000000, -0.0171972900000000 ] - [ 0.0001073900000000, -0.0000767400000000, -0.0001602300000000 ] - [ 0.0008507800000000, 0.0006822400000000, -0.0016783900000000 ] - [ -0.0000170700000000, -0.0002225500000000, -0.0001212900000000 ] - [ -0.0006893100000000, 0.0005089700000000, -0.0003617400000000 ] - [ -0.0001172700000000, -0.0003830900000000, 0.0000952400000000 ] - [ -0.0011258600000000, -0.0009095700000000, -0.0010128800000000 ] - [ -0.0004194700000000, -0.0003828300000000, -0.0001901400000000 ] - [ 0.0003721300000000, 0.0001462200000000, 0.0002259100000000 ] - [ 0.0006497300000000, -0.0011720800000000, -0.0000847000000000 ] - [ -0.1102352100000000, 0.0117832500000000, 0.0419049400000000 ] - [ 0.0003336200000000, 0.0000324100000000, -0.0000460000000000 ] - [ -0.0004527000000000, 0.0002751600000000, -0.0003351200000000 ] - [ -0.0004369600000000, -0.0005516900000000, 0.0001510200000000 ] - [ 0.0001208600000000, -0.0002142000000000, -0.0000583800000000 ] - [ 0.0014777000000000, -0.0006474600000000, 0.0015459700000000 ] - [ 0.0001889700000000, -0.0002193500000000, -0.0000683800000000 ] - [ -0.0005763300000000, 0.0013553900000000, 0.0000124400000000 ] - [ 0.0000840200000000, -0.0000181400000000, 0.0000235400000000 ] - [ 0.0009781800000000, 0.0007476500000000, -0.0008806300000000 ] - [ 0.0001671400000000, -0.0002594800000000, 0.0001601000000000 ] - [ -0.0007906300000000, -0.0002844900000000, -0.0002587500000000 ] - [ 0.0014916000000000, 0.0005588600000000, 0.0004577700000000 ] - [ 0.0001740500000000, -0.0001218800000000, 0.0000488900000000 ] - [ -0.0001039300000000, 0.0003400600000000, -0.0005729400000000 ] - [ -0.0003833900000000, -0.0001413100000000, 0.0003560200000000 ] - [ -0.1219104800000000, 0.0091337700000000, 0.0388914800000000 ] - [ -0.0002348900000000, -0.0001671800000000, -0.0002596200000000 ] - [ 0.0002065800000000, 0.0000874200000000, -0.0000607800000000 ] - [ 0.0001741800000000, -0.0002935900000000, -0.0000186300000000 ] - [ 0.0002439100000000, -0.0007550400000000, 0.0000610200000000 ] - [ 0.0000101800000000, -0.0001122000000000, -0.0004473000000000 ] - [ 0.0000148900000000, -0.0004815900000000, -0.0004098700000000 ] - [ 0.0027468100000000, 0.0010900300000000, 0.0001862300000000 ] - [ 0.0027022400000000, -0.0015841300000000, 0.0068310400000000 ] - [ -0.0003752700000000, 0.0004705600000000, -0.0001886400000000 ] - [ -0.0008030200000000, 0.0008567500000000, -0.0017880900000000 ] - [ 0.0003466700000000, 0.0003046700000000, -0.0001726400000000 ] - [ 0.0000505600000000, -0.0095928900000000, 0.0040928400000000 ] - [ 0.0004087400000000, 0.0001102200000000, 0.0002901900000000 ] - [ -0.0004238000000000, -0.0005608700000000, 0.0003160800000000 ] - [ -0.0003629300000000, 0.0005379400000000, -0.0000334100000000 ] - [ 0.0001805800000000, 0.0007624600000000, -0.0008017900000000 ] - [ -0.0001557800000000, 0.0001857600000000, 0.0002848100000000 ] - [ 0.0001553600000000, -0.0002825700000000, -0.0002511000000000 ] - [ -0.0018188100000000, 0.0006942000000000, -0.0008251100000000 ] - [ -0.0001314500000000, 0.0001157800000000, 0.0001197700000000 ] - [ -0.0004200100000000, 0.0004835600000000, -0.0004217800000000 ] - [ 0.0007431300000000, -0.0053615400000000, 0.0024378400000000 ] - [ 0.0000013400000000, -0.0000496000000000, 0.0002644400000000 ] - [ -0.0053892300000000, 0.0146835400000000, -0.0008545600000000 ] - [ -0.0000630600000000, 0.0002486900000000, 0.0003412300000000 ] - [ 0.0001762300000000, -0.0004261400000000, 0.0002551300000000 ] - [ -0.0000502400000000, 0.0003963800000000, -0.0000357300000000 ] - [ -0.0222285400000000, -0.0018821600000000, -0.0101898600000000 ] - [ 0.0001147100000000, 0.0002325300000000, -0.0001435100000000 ] - [ 0.0001135700000000, -0.0002691800000000, 0.0003217000000000 ] - [ 0.0000003700000000, 0.0005055000000000, -0.0003982200000000 ] - [ -0.0031855000000000, 0.0167484500000000, 0.0016237500000000 ] - [ -0.0000912000000000, -0.0000427800000000, -0.0001627200000000 ] - [ 0.0001156900000000, 0.0001345900000000, 0.0005251400000000 ] - [ 0.0002689000000000, 0.0007291300000000, -0.0002012100000000 ] - [ -0.0151118900000000, -0.0045237500000000, -0.0083982100000000 ] - [ 0.0004557100000000, 0.0002963900000000, 0.0004029300000000 ] - [ -0.0002024300000000, -0.0000786300000000, 0.0005781400000000 ] - [ -0.0003083000000000, 0.0006573000000000, -0.0000283100000000 ] - [ -0.0005707400000000, 0.0002060700000000, 0.0005716600000000 ] - [ -0.0002779300000000, 0.0005496900000000, 0.0001936500000000 ] - [ 0.0027590300000000, 0.0007852700000000, 0.0047605100000000 ] - [ 0.0000719900000000, 0.0001515900000000, 0.0001349200000000 ] - [ 0.3537636300000000, -0.0674939100000000, -0.0458657800000000 ] - [ -0.0000373900000000, -0.0001644900000000, 0.0004071400000000 ] - [ 0.0002149900000000, -0.0000767000000000, -0.0001458800000000 ] - [ 0.0002443000000000, 0.0001735000000000, 0.0004941600000000 ] - [ 0.0011800600000000, -0.0001727700000000, 0.0004790800000000 ] - [ 0.0001820200000000, 0.0001545700000000, -0.0004190900000000 ] - [ -0.0003388600000000, 0.0007062700000000, 0.0007019800000000 ] - [ 0.0004496400000000, -0.0000044900000000, -0.0001641400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008127500000000, 0.0002454900000000, -0.0011017500000000 ] - [ -0.0002309700000000, -0.0004094900000000, 0.0000327800000000 ] - [ 0.0001435400000000, 0.0001789400000000, 0.0008177500000000 ] - [ 0.0000854000000000, -0.0005004500000000, -0.0003390800000000 ] - [ -0.0139012500000000, 0.0503140800000000, -0.0415876300000000 ] - [ 0.0001747800000000, 0.0001149500000000, 0.0004470300000000 ] - [ 0.0000844100000000, -0.0001215200000000, 0.0010096800000000 ] - [ -0.0002046300000000, -0.0003918800000000, -0.0000464900000000 ] - [ -0.0003458000000000, 0.0000052400000000, 0.0002517300000000 ] - [ -0.0003478800000000, 0.0000850800000000, -0.0000484200000000 ] - [ -0.0000095200000000, 0.0013604300000000, -0.0003204200000000 ] - [ 0.0006989700000000, 0.0016904000000000, -0.0004448200000000 ] - [ -0.0003388500000000, 0.0008741900000000, 0.0010781900000000 ] - [ -0.0000827300000000, -0.0004412700000000, -0.0001395900000000 ] - [ -0.0190551800000000, 0.0508272100000000, -0.0474787800000000 ] - [ 0.0000616300000000, 0.0000975200000000, -0.0000454500000000 ] - [ 0.0003589800000000, 0.0001769400000000, -0.0000508800000000 ] - [ -0.0000224300000000, -0.0000440900000000, -0.0002438300000000 ] - [ 0.0002305900000000, 0.0011489600000000, 0.0001370200000000 ] - [ -0.0001070200000000, -0.0004114100000000, 0.0002587700000000 ] - [ -0.0008732800000000, 0.0009170100000000, -0.0003592000000000 ] - [ -0.0003632500000000, -0.0003916600000000, -0.0000484700000000 ] - [ 0.0013475600000000, 0.0003344000000000, 0.0017830800000000 ] - [ 0.0006501600000000, 0.0000333600000000, -0.0002014200000000 ] - [ -0.0106450200000000, 0.0259030400000000, -0.0023985600000000 ] - [ 0.0004015800000000, 0.0003365800000000, 0.0001634600000000 ] - [ -0.0002888800000000, 0.0003384400000000, 0.0002070000000000 ] - [ -0.0004046700000000, -0.0003875700000000, 0.0000921800000000 ] - [ 0.0001655200000000, -0.0001865900000000, -0.0000884400000000 ] - [ 0.0002916700000000, -0.0013919400000000, -0.0000344500000000 ] - [ 0.0001416100000000, -0.0008789500000000, 0.0003516500000000 ] - [ -0.0002690000000000, 0.0002728800000000, 0.0021690800000000 ] - [ -0.0005633700000000, -0.0007464400000000, 0.0007982900000000 ] - [ 0.0001974500000000, 0.0001791500000000, 0.0004875100000000 ] - [ 0.0001671700000000, -0.0002118600000000, -0.0000204300000000 ] - [ -0.0002431700000000, -0.0010053700000000, -0.0000283000000000 ] - [ 0.0009769400000000, 0.0008384600000000, -0.0007662200000000 ] - [ 0.0002219900000000, -0.0001115200000000, 0.0001614000000000 ] - [ 0.0002584300000000, -0.0000130500000000, 0.0005833800000000 ] - [ -0.0001779700000000, -0.0002329500000000, -0.0000804700000000 ] - [ -0.0105350500000000, 0.0261725500000000, -0.0052251600000000 ] - [ -0.0001362800000000, -0.0000404900000000, 0.0000503700000000 ] - [ 0.0002351900000000, -0.0000262000000000, 0.0007481800000000 ] - [ 0.0002032100000000, -0.0001895200000000, -0.0001512200000000 ] - [ -0.0000031400000000, -0.0002549300000000, -0.0000262100000000 ] - [ -0.0000444200000000, -0.0000960600000000, -0.0000589600000000 ] - [ -0.0000949600000000, 0.0004625700000000, 0.0009842800000000 ] - [ 0.0002459000000000, 0.0008351900000000, -0.0019677700000000 ] - [ 0.0015059500000000, -0.0036457900000000, -0.0013906500000000 ] - [ -0.0004541800000000, 0.0006885200000000, -0.0005281100000000 ] - [ -0.0012094500000000, 0.0026246900000000, -0.0026662000000000 ] - [ 0.0003518400000000, 0.0000149400000000, -0.0000620800000000 ] - [ 0.0075532400000000, 0.0055783400000000, -0.0027695300000000 ] - [ 0.0004107700000000, -0.0000814600000000, 0.0002440500000000 ] - [ -0.0006341000000000, -0.0007977700000000, -0.0013210300000000 ] - [ -0.0004298900000000, 0.0007720300000000, 0.0002040600000000 ] - [ 0.0000485500000000, 0.0005923900000000, -0.0002174300000000 ] - [ -0.0001108500000000, 0.0005195300000000, 0.0002341200000000 ] - [ 0.0001984800000000, 0.0001195400000000, -0.0011456400000000 ] - [ -0.0007431800000000, 0.0022142600000000, -0.0011550300000000 ] - [ -0.0000699400000000, 0.0003682900000000, -0.0001207000000000 ] - [ -0.0002562000000000, 0.0002167700000000, 0.0001590300000000 ] - [ 0.0034438800000000, 0.0025804000000000, -0.0006614800000000 ] - [ 0.0001026300000000, -0.0000846500000000, -0.0009197600000000 ] - [ -0.0094188900000000, 0.0118653500000000, 0.0035955800000000 ] - [ -0.0000856400000000, 0.0001329000000000, 0.0002096400000000 ] - [ 0.0002303200000000, -0.0003797100000000, -0.0014617000000000 ] - [ 0.0001175500000000, 0.0004708100000000, 0.0005301400000000 ] - [ -0.0041427300000000, -0.0027269500000000, 0.0006656900000000 ] - [ 0.0001397000000000, 0.0001640800000000, -0.0006013400000000 ] - [ 0.0000751800000000, 0.0002640600000000, -0.0002651500000000 ] - [ -0.0000500300000000, 0.0002575700000000, -0.0001898300000000 ] - [ -0.0116937000000000, 0.0190738600000000, 0.0068483000000000 ] - [ -0.0000385500000000, -0.0006214300000000, -0.0006841800000000 ] - [ 0.0001140300000000, 0.0001310200000000, 0.0001968100000000 ] - [ 0.0003245900000000, -0.0000719600000000, -0.0002372500000000 ] - [ -0.0003168600000000, -0.0023849400000000, 0.0017723900000000 ] - [ 0.0001608100000000, -0.0004744300000000, 0.0001189900000000 ] - [ -0.0002526800000000, -0.0004260700000000, -0.0002576100000000 ] - [ -0.0003008600000000, 0.0004292100000000, -0.0000867700000000 ] - [ -0.0004463000000000, -0.0006270500000000, -0.0001288400000000 ] - [ -0.0002770500000000, 0.0004134700000000, 0.0000036800000000 ] - [ 0.0012949400000000, -0.0021058900000000, -0.0010457500000000 ] - [ 0.0003456000000000, -0.0005573600000000, 0.0004461700000000 ] - [ 0.0675884600000000, -0.1884943000000000, 0.0934104500000000 ] - [ -0.0001481000000000, -0.0000710200000000, 0.0002555500000000 ] - [ 0.0000586100000000, -0.0005349400000000, -0.0009480100000000 ] - [ 0.0001569200000000, 0.0002017000000000, 0.0005318700000000 ] - [ 0.0001566200000000, -0.0013066300000000, 0.0007947900000000 ] - [ 0.0001398500000000, 0.0002180600000000, -0.0005382800000000 ] - [ -0.0006916700000000, 0.0000833900000000, -0.0001536800000000 ] - [ 0.0000111400000000, 0.0001392800000000, 0.0000243500000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004372700000000, 0.0000785400000000, 0.0013966100000000 ] - [ -0.0001485200000000, 0.0000737700000000, -0.0003196700000000 ] - [ 0.0002345800000000, -0.0005113100000000, -0.0005294500000000 ] - [ 0.0002947000000000, 0.0008266800000000, 0.0000545400000000 ] - [ 0.0135595500000000, -0.0496818200000000, 0.0392422000000000 ] - [ 0.0002030000000000, 0.0002176300000000, -0.0001584800000000 ] - [ -0.0004594900000000, 0.0004500200000000, -0.0012890300000000 ] - [ -0.0001740000000000, 0.0000557500000000, 0.0003315500000000 ] - [ -0.0003416700000000, -0.0000058500000000, 0.0000908500000000 ] - [ -0.0003402300000000, -0.0000862500000000, -0.0002936500000000 ] - [ 0.0006940100000000, -0.0013448500000000, 0.0006720400000000 ] - [ -0.0000053100000000, -0.0016925100000000, 0.0000946000000000 ] - [ 0.0001781500000000, -0.0005127900000000, -0.0009482100000000 ] - [ -0.0000763000000000, 0.0000839400000000, 0.0000155100000000 ] - [ 0.0200139200000000, -0.0518988200000000, 0.0496425300000000 ] - [ 0.0000973000000000, 0.0002597800000000, -0.0000817700000000 ] - [ -0.0001989000000000, -0.0005258500000000, -0.0000693200000000 ] - [ 0.0001839600000000, 0.0004049600000000, 0.0003748200000000 ] - [ -0.0003951000000000, -0.0007895000000000, -0.0002638200000000 ] - [ -0.0000531600000000, 0.0000525600000000, -0.0001307600000000 ] - [ 0.0000974900000000, -0.0004472900000000, 0.0005783900000000 ] - [ -0.0004174300000000, -0.0000816800000000, -0.0001768300000000 ] - [ -0.0005692200000000, -0.0008034300000000, -0.0015634200000000 ] - [ 0.0001297700000000, 0.0004533500000000, -0.0000202100000000 ] - [ 0.0115924100000000, -0.0264918000000000, 0.0020598000000000 ] - [ 0.0003811300000000, 0.0001360900000000, 0.0000593800000000 ] - [ -0.0004932400000000, 0.0001347400000000, -0.0004330600000000 ] - [ -0.0003812600000000, -0.0000846700000000, 0.0001365000000000 ] - [ 0.0001721700000000, 0.0005462200000000, -0.0001054200000000 ] - [ 0.0000463900000000, 0.0010229400000000, 0.0002254100000000 ] - [ -0.0004855500000000, 0.0005198700000000, -0.0005408400000000 ] - [ -0.0000673700000000, 0.0000853500000000, -0.0019790800000000 ] - [ 0.0002320800000000, 0.0003875700000000, -0.0006097000000000 ] - [ -0.0005401500000000, 0.0001777200000000, -0.0006676500000000 ] - [ 0.0001694800000000, 0.0005739600000000, 0.0002130300000000 ] - [ 0.0005750100000000, 0.0006421800000000, -0.0001746300000000 ] - [ -0.0006097300000000, -0.0008379600000000, 0.0005499000000000 ] - [ 0.0001559900000000, 0.0001198400000000, 0.0000508900000000 ] - [ -0.0006328900000000, 0.0000208400000000, -0.0007942100000000 ] - [ -0.0001915400000000, 0.0002223200000000, 0.0002900900000000 ] - [ 0.0098919900000000, -0.0260697400000000, 0.0055691500000000 ] - [ -0.0002401000000000, 0.0000328500000000, -0.0002649400000000 ] - [ 0.0001384600000000, 0.0000180000000000, -0.0005327200000000 ] - [ 0.0001753500000000, 0.0001971900000000, -0.0000617000000000 ] - [ 0.0000328200000000, 0.0002544400000000, 0.0006739500000000 ] - [ 0.0000742300000000, 0.0000950100000000, -0.0005892100000000 ] - [ 0.0000672200000000, -0.0004620500000000, -0.0003385100000000 ] - [ -0.0002706700000000, -0.0008567900000000, 0.0013165200000000 ] - [ -0.0023252900000000, 0.0030750500000000, 0.0018337600000000 ] - [ -0.0003509900000000, -0.0001124100000000, 0.0000813400000000 ] - [ 0.0020198800000000, -0.0020558500000000, 0.0031240200000000 ] - [ 0.0004525600000000, -0.0005905300000000, -0.0003850700000000 ] - [ -0.0068300000000000, -0.0050787700000000, 0.0024227800000000 ] - [ 0.0003932400000000, -0.0004944900000000, 0.0002025200000000 ] - [ -0.0001718000000000, 0.0002201400000000, 0.0008701200000000 ] - [ -0.0003750000000000, -0.0001939100000000, 0.0002397100000000 ] - [ -0.0001597900000000, -0.0005930300000000, -0.0005566900000000 ] - [ -0.0000026800000000, -0.0005159800000000, 0.0005401800000000 ] - [ -0.0000858500000000, -0.0001192200000000, 0.0003708600000000 ] - [ 0.0008492200000000, -0.0022049400000000, 0.0019107300000000 ] - [ -0.0001622600000000, -0.0003653500000000, 0.0004401600000000 ] - [ 0.0000212000000000, -0.0002139400000000, -0.0004773200000000 ] - [ -0.0032003700000000, -0.0025484900000000, 0.0009524000000000 ] - [ 0.0001279500000000, 0.0000833100000000, 0.0006008100000000 ] - [ 0.0094096700000000, -0.0120018800000000, -0.0042051900000000 ] - [ -0.0001074800000000, -0.0002085200000000, 0.0003993600000000 ] - [ -0.0000340900000000, 0.0003024400000000, 0.0008543800000000 ] - [ 0.0000768100000000, -0.0003940900000000, 0.0000752200000000 ] - [ 0.0044278900000000, 0.0026506700000000, -0.0000926600000000 ] - [ 0.0000535800000000, -0.0000874200000000, -0.0000048100000000 ] - [ -0.0002679100000000, -0.0001879400000000, 0.0008709200000000 ] - [ -0.0001432200000000, -0.0003319700000000, -0.0004175900000000 ] - [ 0.0112071400000000, -0.0186031900000000, -0.0059779400000000 ] - [ -0.0001659200000000, 0.0006197300000000, -0.0000819700000000 ] - [ 0.0000901300000000, -0.0001302200000000, 0.0005729100000000 ] - [ -0.0001221500000000, 0.0000739200000000, -0.0005334900000000 ] - [ 0.0007904600000000, 0.0029174600000000, -0.0015338200000000 ] - [ 0.0003887800000000, -0.0000617300000000, -0.0003351600000000 ] - [ -0.0002955300000000, -0.0001114300000000, 0.0004757400000000 ] - [ -0.0002487400000000, 0.0001107700000000, -0.0001327800000000 ] - [ -0.0001018900000000, 0.0000863000000000, -0.0000923100000000 ] - [ -0.0002718000000000, 0.0001250300000000, 0.0002138700000000 ] - [ -0.0007319200000000, 0.0026363300000000, 0.0008322200000000 ] - [ 0.0002036900000000, 0.0000204000000000, -0.0002278700000000 ] - [ -0.0676388900000000, 0.1883144100000000, -0.0942968200000000 ] - [ -0.0000803200000000, -0.0001902800000000, 0.0004812200000000 ] - [ 0.0001682600000000, 0.0002724500000000, 0.0002105700000000 ] - [ 0.0000709200000000, 0.0000588900000000, 0.0002033000000000 ] - [ 0.0000757600000000, 0.0010527300000000, -0.0000661000000000 ] - [ 0.0000897900000000, 0.0000409500000000, -0.0001941300000000 ] - [ 0.0004624900000000, 0.0001783700000000, 0.0008877300000000 ] - [ -0.0002421300000000, -0.0004029100000000, -0.0007570400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000716700000000, 0.0010301100000000, 0.0020369100000000 ] - [ -0.0001163500000000, 0.0003228700000000, -0.0004893900000000 ] - [ 0.0003847000000000, -0.0008899300000000, -0.0010818000000000 ] - [ 0.0001402000000000, 0.0024722800000000, 0.0009226400000000 ] - [ 0.0102519800000000, -0.0390587100000000, 0.0753914700000000 ] - [ 0.0002156500000000, 0.0002368100000000, -0.0003756200000000 ] - [ -0.0003742000000000, 0.0004250900000000, -0.0016094800000000 ] - [ -0.0001573900000000, 0.0004088000000000, 0.0005355700000000 ] - [ -0.0003321300000000, 0.0000835500000000, 0.0001196000000000 ] - [ -0.0003080200000000, 0.0001063000000000, -0.0001857600000000 ] - [ 0.0007149300000000, -0.0020670600000000, 0.0013664000000000 ] - [ 0.0003152800000000, -0.0015705900000000, 0.0006277600000000 ] - [ 0.0003683200000000, -0.0009449500000000, -0.0015276200000000 ] - [ -0.0000572800000000, 0.0004153300000000, 0.0000636800000000 ] - [ 0.0193028400000000, -0.0480080300000000, 0.0966332700000000 ] - [ 0.0001414800000000, 0.0003686700000000, -0.0000906400000000 ] - [ 0.0001356300000000, -0.0012471600000000, -0.0012073500000000 ] - [ 0.0003303600000000, 0.0007285500000000, 0.0008510500000000 ] - [ -0.0002285400000000, -0.0022323500000000, 0.0002393600000000 ] - [ -0.0000180800000000, 0.0003053800000000, -0.0003387400000000 ] - [ -0.0007368900000000, -0.0008540900000000, 0.0011963800000000 ] - [ -0.0004264800000000, 0.0000703400000000, -0.0002304700000000 ] - [ -0.0004826500000000, -0.0010172800000000, -0.0013613300000000 ] - [ 0.0002945100000000, 0.0007519200000000, 0.0002429900000000 ] - [ -0.0355726200000000, -0.0033836500000000, 0.0501621000000000 ] - [ 0.0003454300000000, 0.0000820700000000, 0.0000392700000000 ] - [ -0.0005306000000000, 0.0000552200000000, -0.0005891300000000 ] - [ -0.0003711400000000, 0.0001540000000000, 0.0001461500000000 ] - [ 0.0002054200000000, 0.0009842400000000, -0.0001463600000000 ] - [ 0.0005969100000000, 0.0019888600000000, 0.0004083500000000 ] - [ -0.0003615300000000, 0.0011699200000000, -0.0010595300000000 ] - [ -0.0001785400000000, -0.0000646800000000, -0.0023772100000000 ] - [ 0.0005665600000000, 0.0008885400000000, -0.0011749000000000 ] - [ -0.0000518100000000, -0.0004237700000000, -0.0014385700000000 ] - [ 0.0001624400000000, 0.0010246000000000, 0.0002945300000000 ] - [ 0.0003623700000000, 0.0018047800000000, -0.0014481400000000 ] - [ 0.0000546000000000, -0.0008754700000000, 0.0016567100000000 ] - [ 0.0001249900000000, 0.0002466400000000, 0.0000138000000000 ] - [ -0.0005626800000000, -0.0000360700000000, -0.0011611200000000 ] - [ -0.0002693400000000, 0.0005851200000000, 0.0004913500000000 ] - [ -0.0412888700000000, -0.0056383600000000, 0.0532019300000000 ] - [ -0.0002508100000000, 0.0000804700000000, -0.0004004200000000 ] - [ 0.0001191800000000, -0.0000147000000000, -0.0009841000000000 ] - [ 0.0001850100000000, 0.0004550400000000, -0.0000061500000000 ] - [ 0.0001542500000000, 0.0004009700000000, 0.0008477900000000 ] - [ 0.0001619400000000, 0.0001891600000000, -0.0008049500000000 ] - [ 0.0001047600000000, -0.0009750000000000, -0.0009937500000000 ] - [ 0.0010906400000000, -0.0004444200000000, 0.0030265800000000 ] - [ -0.0037291100000000, 0.0047602900000000, 0.0129945400000000 ] - [ -0.0003149100000000, -0.0004716700000000, 0.0003508200000000 ] - [ 0.0023633500000000, -0.0018319900000000, 0.0043352000000000 ] - [ 0.0005291200000000, -0.0009430700000000, -0.0005254200000000 ] - [ -0.0072354400000000, -0.0085580100000000, 0.0020441000000000 ] - [ 0.0003780200000000, -0.0007739200000000, 0.0001574900000000 ] - [ -0.0001815200000000, 0.0005704800000000, 0.0012638500000000 ] - [ -0.0003816000000000, -0.0008426100000000, 0.0004363400000000 ] - [ -0.0000734500000000, -0.0014889900000000, -0.0008048400000000 ] - [ -0.0001377100000000, -0.0010726200000000, 0.0008312500000000 ] - [ -0.0000299200000000, -0.0000443300000000, 0.0010741000000000 ] - [ 0.0008239000000000, -0.0026394600000000, 0.0034082600000000 ] - [ -0.0000776900000000, -0.0006451400000000, 0.0007214800000000 ] - [ -0.0000895700000000, -0.0007811200000000, -0.0007429600000000 ] - [ -0.0048264000000000, -0.0055201700000000, 0.0012269600000000 ] - [ -0.0000176200000000, 0.0002494400000000, 0.0011505400000000 ] - [ 0.0020270700000000, 0.0004509600000000, -0.0074598500000000 ] - [ -0.0001380300000000, -0.0004044100000000, 0.0004869300000000 ] - [ -0.0000260400000000, 0.0004323800000000, 0.0013237100000000 ] - [ 0.0000985200000000, -0.0010650700000000, -0.0000224000000000 ] - [ 0.0074741700000000, 0.0039381600000000, -0.0014999900000000 ] - [ 0.0000141300000000, -0.0002009300000000, 0.0002515800000000 ] - [ -0.0003680100000000, -0.0001141400000000, 0.0014750700000000 ] - [ -0.0001958100000000, -0.0007363300000000, -0.0005221300000000 ] - [ 0.0002372300000000, 0.0037502400000000, -0.0066555800000000 ] - [ 0.0000200200000000, 0.0007585400000000, 0.0000386100000000 ] - [ 0.0000439600000000, -0.0002216900000000, 0.0006396400000000 ] - [ 0.0000133600000000, -0.0002737700000000, -0.0006840200000000 ] - [ 0.0064957900000000, 0.0056915300000000, -0.0004381000000000 ] - [ 0.0001813200000000, 0.0001065700000000, -0.0004220000000000 ] - [ -0.0002536600000000, 0.0000164800000000, 0.0005156700000000 ] - [ -0.0002371000000000, -0.0001418700000000, -0.0001445500000000 ] - [ -0.0002778800000000, 0.0001604300000000, -0.0003610500000000 ] - [ -0.0002631700000000, -0.0000834400000000, 0.0002796300000000 ] - [ -0.0019765700000000, 0.0053030800000000, 0.0070892500000000 ] - [ 0.0005372900000000, -0.0001306000000000, -0.0008753900000000 ] - [ 0.0451557700000000, 0.0941529700000000, -0.2895838300000000 ] - [ -0.0000756900000000, -0.0002435600000000, 0.0005623100000000 ] - [ 0.0003365100000000, 0.0004467800000000, 0.0006253200000000 ] - [ -0.0000122500000000, -0.0000341100000000, -0.0000022700000000 ] - [ -0.0000014300000000, 0.0002969200000000, -0.0018573300000000 ] - [ 0.0000626300000000, -0.0000426900000000, -0.0000221200000000 ] - [ 0.0002206800000000, 0.0006531000000000, 0.0013717300000000 ] - [ -0.0003183600000000, -0.0005219600000000, -0.0014636800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004523800000000, -0.0006898700000000, -0.0017492700000000 ] - [ -0.0002623300000000, -0.0006583100000000, 0.0002019000000000 ] - [ -0.0000063400000000, 0.0005567700000000, 0.0013680100000000 ] - [ 0.0002397100000000, -0.0021379700000000, -0.0012055200000000 ] - [ -0.0110117400000000, 0.0415788800000000, -0.0787978000000000 ] - [ 0.0001617000000000, 0.0000943900000000, 0.0006637200000000 ] - [ 0.0000006500000000, -0.0000976600000000, 0.0013343700000000 ] - [ -0.0002205200000000, -0.0007430600000000, -0.0002500300000000 ] - [ -0.0003554900000000, -0.0000831600000000, 0.0002235900000000 ] - [ -0.0003795700000000, -0.0001059400000000, -0.0001556400000000 ] - [ -0.0000323400000000, 0.0020760700000000, -0.0010171400000000 ] - [ 0.0003770000000000, 0.0015636700000000, -0.0009663400000000 ] - [ -0.0005326300000000, 0.0013099700000000, 0.0016660200000000 ] - [ -0.0001020500000000, -0.0007717900000000, -0.0001880200000000 ] - [ -0.0175632700000000, 0.0444648600000000, -0.0927458700000000 ] - [ 0.0000174300000000, -0.0000119100000000, -0.0000364300000000 ] - [ 0.0000325000000000, 0.0008994900000000, 0.0010836900000000 ] - [ -0.0001678700000000, -0.0003663300000000, -0.0007165600000000 ] - [ 0.0000668000000000, 0.0025956700000000, -0.0003690600000000 ] - [ -0.0001423600000000, -0.0006645300000000, 0.0004668000000000 ] - [ -0.0000406800000000, 0.0013309000000000, -0.0009731200000000 ] - [ -0.0003532600000000, -0.0005433800000000, 0.0000056100000000 ] - [ 0.0012558900000000, 0.0005522800000000, 0.0015796500000000 ] - [ 0.0004804400000000, -0.0002813000000000, -0.0004645200000000 ] - [ 0.0350785200000000, 0.0029363700000000, -0.0501604500000000 ] - [ 0.0004360700000000, 0.0003895900000000, 0.0001838700000000 ] - [ -0.0002512200000000, 0.0004179600000000, 0.0003637200000000 ] - [ -0.0004142400000000, -0.0006251100000000, 0.0000823500000000 ] - [ 0.0001318400000000, -0.0006250400000000, -0.0000478400000000 ] - [ -0.0002470800000000, -0.0023539400000000, -0.0002232200000000 ] - [ 0.0000097900000000, -0.0015275000000000, 0.0008710500000000 ] - [ -0.0001544700000000, 0.0004135000000000, 0.0025571800000000 ] - [ -0.0008965600000000, -0.0012457000000000, 0.0013583000000000 ] - [ -0.0002932900000000, 0.0007767000000000, 0.0012523600000000 ] - [ 0.0001745700000000, -0.0006621800000000, -0.0001021900000000 ] - [ -0.0000366100000000, -0.0021726100000000, 0.0012513100000000 ] - [ 0.0003251400000000, 0.0008699600000000, -0.0018676000000000 ] - [ 0.0002521000000000, -0.0002389600000000, 0.0001986200000000 ] - [ 0.0001889900000000, 0.0000451900000000, 0.0009473000000000 ] - [ -0.0001009600000000, -0.0005946700000000, -0.0002799700000000 ] - [ 0.0421478900000000, 0.0056437100000000, -0.0531104500000000 ] - [ -0.0001248900000000, -0.0000887200000000, 0.0001854600000000 ] - [ 0.0002540700000000, 0.0000068100000000, 0.0012007200000000 ] - [ 0.0001932600000000, -0.0004468400000000, -0.0002063900000000 ] - [ -0.0001233300000000, -0.0004004100000000, -0.0001995300000000 ] - [ -0.0001323000000000, -0.0001898800000000, 0.0001579400000000 ] - [ -0.0001352500000000, 0.0009632300000000, 0.0016268200000000 ] - [ -0.0011093100000000, 0.0004280300000000, -0.0036599700000000 ] - [ 0.0029647300000000, -0.0053461200000000, -0.0127606600000000 ] - [ -0.0004907700000000, 0.0010456800000000, -0.0007956200000000 ] - [ -0.0015635900000000, 0.0024048900000000, -0.0038901300000000 ] - [ 0.0002762200000000, 0.0003674000000000, 0.0000779000000000 ] - [ 0.0080073700000000, 0.0090594400000000, -0.0024861200000000 ] - [ 0.0004258600000000, 0.0001984600000000, 0.0002889900000000 ] - [ -0.0006237700000000, -0.0011453600000000, -0.0017116700000000 ] - [ -0.0004236100000000, 0.0014173500000000, 0.0000088100000000 ] - [ -0.0000382400000000, 0.0014911600000000, 0.0000321000000000 ] - [ 0.0000250100000000, 0.0010745500000000, -0.0000551300000000 ] - [ 0.0001419600000000, 0.0000448800000000, -0.0018445200000000 ] - [ -0.0007004200000000, 0.0026243600000000, -0.0026319000000000 ] - [ -0.0001554700000000, 0.0006487700000000, -0.0004022100000000 ] - [ -0.0001448100000000, 0.0007796100000000, 0.0004234700000000 ] - [ 0.0050599700000000, 0.0055571600000000, -0.0009226400000000 ] - [ 0.0002463700000000, -0.0002507300000000, -0.0014636400000000 ] - [ -0.0022404300000000, -0.0003697200000000, 0.0068649000000000 ] - [ -0.0000551700000000, 0.0003297800000000, 0.0001221700000000 ] - [ 0.0002225800000000, -0.0005091600000000, -0.0019276500000000 ] - [ 0.0000960300000000, 0.0011382900000000, 0.0006253600000000 ] - [ -0.0072981800000000, -0.0040061400000000, 0.0020447100000000 ] - [ 0.0001796000000000, 0.0002778700000000, -0.0008561300000000 ] - [ 0.0001764600000000, 0.0001867200000000, -0.0008692200000000 ] - [ 0.0000019500000000, 0.0006611900000000, -0.0000855500000000 ] - [ -0.0004147100000000, -0.0037516500000000, 0.0073977300000000 ] - [ -0.0002228800000000, -0.0007577700000000, -0.0008046100000000 ] - [ 0.0001610500000000, 0.0002218800000000, 0.0001295800000000 ] - [ 0.0001911600000000, 0.0002734600000000, -0.0000871100000000 ] - [ -0.0059155900000000, -0.0051166400000000, 0.0006903500000000 ] - [ 0.0003681000000000, -0.0006416500000000, 0.0002035500000000 ] - [ -0.0002957800000000, -0.0005573200000000, -0.0003004200000000 ] - [ -0.0003128600000000, 0.0006815500000000, -0.0000758900000000 ] - [ -0.0002708200000000, -0.0007025100000000, 0.0001405700000000 ] - [ -0.0002858400000000, 0.0006225600000000, -0.0000620800000000 ] - [ 0.0025036600000000, -0.0047032900000000, -0.0071878700000000 ] - [ 0.0000105500000000, -0.0004058100000000, 0.0010941300000000 ] - [ -0.0458030100000000, -0.0936031700000000, 0.2882243100000000 ] - [ -0.0001527600000000, -0.0000177200000000, 0.0001739500000000 ] - [ -0.0001099600000000, -0.0007122000000000, -0.0013671300000000 ] - [ 0.0002399200000000, 0.0002943400000000, 0.0007367900000000 ] - [ 0.0002298000000000, -0.0005639400000000, 0.0025921600000000 ] - [ 0.0001669500000000, 0.0003018700000000, -0.0007108200000000 ] - [ -0.0004480500000000, -0.0003886700000000, -0.0006359900000000 ] - [ 0.0000893900000000, 0.0002591300000000, 0.0007257600000000 ]