# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6caf5bd2-ebd5-4426-b4e4-01c594d4f69d/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 NaY(IO3)4 / Cc (9) / materials id 581868](https://mdr.nims.go.jp/datasets/215dda32-d104-4779-ba26-f916ae9bffa0) ## 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: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 15.545690159999999, -2.763048995000000, -0.003157015000000 ] # a - [ 15.545690159999999, 2.763048995000000, -0.003157015000000 ] # b - [ -0.181004700000000, 0.000000000000000, 12.346496780000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.416046780000000, 0.954923980000000, 0.973711930000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.836479630000000, 0.384776690000000, 0.065109340000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.954923980000000, 0.416046780000000, 0.473711930000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.384776690000000, 0.836479630000000, 0.565109340000000 ] mass: 22.989769 - symbol: Y # 5 coordinates: [ 0.435697730000000, 0.016591170000000, 0.674719080000000 ] mass: 88.905850 - symbol: Y # 6 coordinates: [ 0.016591170000000, 0.435697730000000, 0.174719080000000 ] mass: 88.905850 - symbol: Y # 7 coordinates: [ 0.215319000000000, 0.830872700000000, 0.169912430000000 ] mass: 88.905850 - symbol: Y # 8 coordinates: [ 0.830872700000000, 0.215319000000000, 0.669912430000000 ] mass: 88.905850 - symbol: I # 9 coordinates: [ 0.877288550000000, 0.288604490000000, 0.376805710000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.708384670000000, 0.297098230000000, 0.961618130000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.297098230000000, 0.708384670000000, 0.461618130000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.196830930000000, 0.690006490000000, 0.769215830000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.395642520000000, 0.888842020000000, 0.220217240000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.557960940000000, 0.052047860000000, 0.085680060000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.936944410000000, 0.559986390000000, 0.878803940000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.690006490000000, 0.196830930000000, 0.269215830000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.888842020000000, 0.395642520000000, 0.720217240000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.150461210000000, 0.535811950000000, 0.313089610000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.091392010000000, 0.719551790000000, 0.038773020000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.719551790000000, 0.091392010000000, 0.538773020000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.559986390000000, 0.936944410000000, 0.378803940000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.535811950000000, 0.150461210000000, 0.813089610000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.288604490000000, 0.877288550000000, 0.876805710000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.052047860000000, 0.557960940000000, 0.585680060000000 ] mass: 126.904470 - symbol: O # 25 coordinates: [ 0.108496610000000, 0.137083550000000, 0.919912410000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.677099020000000, 0.666852200000000, 0.652499210000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.823507320000000, 0.627159220000000, 0.333903030000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.904562920000000, 0.898608280000000, 0.915449860000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.355481960000000, 0.408186980000000, 0.230666770000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.972885130000000, 0.182494810000000, 0.234600090000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.879063240000000, 0.859466140000000, 0.124757080000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.339981460000000, 0.350449240000000, 0.435254030000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.377161740000000, 0.692767960000000, 0.339939860000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.902492180000000, 0.008901260000000, 0.594331940000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.116010730000000, 0.962501510000000, 0.529880000000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.008901260000000, 0.902492180000000, 0.094331940000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.466417520000000, 0.586403220000000, 0.025159750000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.586403220000000, 0.466417520000000, 0.525159750000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.545159570000000, 0.888038170000000, 0.500825780000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.962501510000000, 0.116010730000000, 0.029880000000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.745325280000000, 0.858594040000000, 0.962550310000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.408186980000000, 0.355481960000000, 0.730666770000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.433236700000000, 0.509671640000000, 0.679298840000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.417273750000000, 0.768581650000000, 0.140046820000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.137083550000000, 0.108496610000000, 0.419912410000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.107800970000000, 0.315818410000000, 0.803226190000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.155126160000000, 0.171880300000000, 0.632973000000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.239552400000000, 0.349493140000000, 0.250325220000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.858594040000000, 0.745325280000000, 0.462550310000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.888038170000000, 0.545159570000000, 0.000825780000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.692767960000000, 0.377161740000000, 0.839939860000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.520301610000000, 0.376030930000000, 0.396778180000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.325112520000000, 0.188983520000000, 0.053441090000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.315818410000000, 0.107800970000000, 0.303226190000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.859466140000000, 0.879063240000000, 0.624757080000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.666852200000000, 0.677099020000000, 0.152499210000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.188983520000000, 0.325112520000000, 0.553441090000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.033166480000000, 0.944341700000000, 0.800659980000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.743112650000000, 0.815096010000000, 0.180143310000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.182494810000000, 0.972885130000000, 0.734600090000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.669126800000000, 0.574496760000000, 0.367974360000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.509671640000000, 0.433236700000000, 0.179298840000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.944341700000000, 0.033166480000000, 0.300659980000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.815096010000000, 0.743112650000000, 0.680143310000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.768581650000000, 0.417273750000000, 0.640046820000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.574496760000000, 0.669126800000000, 0.867974360000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.349493140000000, 0.239552400000000, 0.750325220000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.376030930000000, 0.520301610000000, 0.896778180000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.627159220000000, 0.823507320000000, 0.833903030000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.350449240000000, 0.339981460000000, 0.935254030000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.171880300000000, 0.155126160000000, 0.132973000000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.898608280000000, 0.904562920000000, 0.415449860000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.032163350965735, -0.180959512808060, 0.000471527899475 ] # a* - [ 0.032163350965735, 0.180959512808060, 0.000471527899475 ] # b* - [ 0.000016448419865, 0.000000000000000, 0.080994876122367 ] # c*unit_cell: lattice: - [ 31.091380319999999, 0.000000000000000, -0.006314030000000 ] # a - [ 0.000000000000000, 5.526097990000000, 0.000000000000000 ] # b - [ -0.181004700000000, 0.000000000000000, 12.346496780000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.685485380000000, 0.269438600000000, 0.973711930000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.610628160000000, 0.774148530000000, 0.065109340000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.685485380000000, 0.730561400000000, 0.473711930000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.610628160000000, 0.225851470000000, 0.565109340000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.185485380000000, 0.769438600000000, 0.973711930000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.110628160000000, 0.274148530000000, 0.065109340000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 7 coordinates: [ 0.185485380000000, 0.230561400000000, 0.473711930000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 8 coordinates: [ 0.110628160000000, 0.725851470000000, 0.565109340000000 ] mass: 22.989769 reduced_to: 4 - symbol: Y # 9 coordinates: [ 0.726144450000000, 0.290446720000000, 0.674719080000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 10 coordinates: [ 0.726144450000000, 0.709553280000000, 0.174719080000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 11 coordinates: [ 0.523095850000000, 0.307776850000000, 0.169912430000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 12 coordinates: [ 0.523095850000000, 0.692223150000000, 0.669912430000000 ] mass: 88.905850 reduced_to: 12 - symbol: Y # 13 coordinates: [ 0.226144450000000, 0.790446720000000, 0.674719080000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 14 coordinates: [ 0.226144450000000, 0.209553280000000, 0.174719080000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 15 coordinates: [ 0.023095850000000, 0.807776850000000, 0.169912430000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 16 coordinates: [ 0.023095850000000, 0.192223150000000, 0.669912430000000 ] mass: 88.905850 reduced_to: 12 - symbol: I # 17 coordinates: [ 0.582946520000000, 0.705657970000000, 0.376805710000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.502741450000000, 0.794356780000000, 0.961618130000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.502741450000000, 0.205643220000000, 0.461618130000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.943418710000000, 0.746587780000000, 0.769215830000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.642242270000000, 0.246599750000000, 0.220217240000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.805004400000000, 0.247043460000000, 0.085680060000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.748465400000000, 0.811520990000000, 0.878803940000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.943418710000000, 0.253412220000000, 0.269215830000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.642242270000000, 0.753400250000000, 0.720217240000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.843136580000000, 0.692675370000000, 0.313089610000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.905471900000000, 0.814079890000000, 0.038773020000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.905471900000000, 0.185920110000000, 0.538773020000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.748465400000000, 0.188479010000000, 0.378803940000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.843136580000000, 0.307324630000000, 0.813089610000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.582946520000000, 0.294342030000000, 0.876805710000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.805004400000000, 0.752956540000000, 0.585680060000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.082946520000000, 0.205657970000000, 0.376805710000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 34 coordinates: [ 0.002741450000000, 0.294356780000000, 0.961618130000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 35 coordinates: [ 0.002741450000000, 0.705643220000000, 0.461618130000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 36 coordinates: [ 0.443418710000000, 0.246587780000000, 0.769215830000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 37 coordinates: [ 0.142242270000000, 0.746599750000000, 0.220217240000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 38 coordinates: [ 0.305004400000000, 0.747043460000000, 0.085680060000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 39 coordinates: [ 0.248465400000000, 0.311520990000000, 0.878803940000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 40 coordinates: [ 0.443418710000000, 0.753412220000000, 0.269215830000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 41 coordinates: [ 0.142242270000000, 0.253400250000000, 0.720217240000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 42 coordinates: [ 0.343136580000000, 0.192675370000000, 0.313089610000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 43 coordinates: [ 0.405471900000000, 0.314079890000000, 0.038773020000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 44 coordinates: [ 0.405471900000000, 0.685920110000000, 0.538773020000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 45 coordinates: [ 0.248465400000000, 0.688479010000000, 0.378803940000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 46 coordinates: [ 0.343136580000000, 0.807324630000000, 0.813089610000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 47 coordinates: [ 0.082946520000000, 0.794342030000000, 0.876805710000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 48 coordinates: [ 0.305004400000000, 0.252956540000000, 0.585680060000000 ] mass: 126.904470 reduced_to: 32 - symbol: O # 49 coordinates: [ 0.622790080000000, 0.514293470000000, 0.919912410000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.671975610000000, 0.994876590000000, 0.652499210000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.725333270000000, 0.901825950000000, 0.333903030000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.901585600000000, 0.997022680000000, 0.915449860000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.881834470000000, 0.526352510000000, 0.230666770000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.577689970000000, 0.604804840000000, 0.234600090000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.869264690000000, 0.990201450000000, 0.124757080000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.845215350000000, 0.505233890000000, 0.435254030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.534964850000000, 0.157803110000000, 0.339939860000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.955696720000000, 0.053204540000000, 0.594331940000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.539256120000000, 0.423245390000000, 0.529880000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.955696720000000, 0.946795460000000, 0.094331940000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.526410370000000, 0.059992850000000, 0.025159750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.526410370000000, 0.940007150000000, 0.525159750000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.716598870000000, 0.171439300000000, 0.500825780000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.539256120000000, 0.576754610000000, 0.029880000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.801959660000000, 0.056634380000000, 0.962550310000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.881834470000000, 0.473647490000000, 0.730666770000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.971454170000000, 0.538217470000000, 0.679298840000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.592927700000000, 0.175653950000000, 0.140046820000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.622790080000000, 0.485706530000000, 0.419912410000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.711809690000000, 0.604008720000000, 0.803226190000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.663503230000000, 0.508377070000000, 0.632973000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.794522770000000, 0.554970370000000, 0.250325220000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.801959660000000, 0.943365620000000, 0.462550310000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.716598870000000, 0.828560700000000, 0.000825780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.534964850000000, 0.842196890000000, 0.839939860000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.948166270000000, 0.427864660000000, 0.396778180000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.757048020000000, 0.431935500000000, 0.053441090000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.711809690000000, 0.395991280000000, 0.303226190000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.869264690000000, 0.009798550000000, 0.624757080000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.671975610000000, 0.005123410000000, 0.152499210000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.757048020000000, 0.568064500000000, 0.553441090000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.988754090000000, 0.955587610000000, 0.800659980000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.779104330000000, 0.035991680000000, 0.180143310000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.577689970000000, 0.395195160000000, 0.734600090000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.621811780000000, 0.952684980000000, 0.367974360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.971454170000000, 0.461782530000000, 0.179298840000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.988754090000000, 0.044412390000000, 0.300659980000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.779104330000000, 0.964008320000000, 0.680143310000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.592927700000000, 0.824346050000000, 0.640046820000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.621811780000000, 0.047315020000000, 0.867974360000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.794522770000000, 0.445029630000000, 0.750325220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.948166270000000, 0.572135340000000, 0.896778180000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.725333270000000, 0.098174050000000, 0.833903030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.845215350000000, 0.494766110000000, 0.935254030000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.663503230000000, 0.491622930000000, 0.132973000000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.901585600000000, 0.002977320000000, 0.415449860000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.122790080000000, 0.014293470000000, 0.919912410000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.171975610000000, 0.494876590000000, 0.652499210000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 99 coordinates: [ 0.225333270000000, 0.401825950000000, 0.333903030000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 100 coordinates: [ 0.401585600000000, 0.497022680000000, 0.915449860000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 101 coordinates: [ 0.381834470000000, 0.026352510000000, 0.230666770000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.077689970000000, 0.104804840000000, 0.234600090000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 103 coordinates: [ 0.369264690000000, 0.490201450000000, 0.124757080000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 104 coordinates: [ 0.345215350000000, 0.005233890000000, 0.435254030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 105 coordinates: [ 0.034964850000000, 0.657803110000000, 0.339939860000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.455696720000000, 0.553204540000000, 0.594331940000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 107 coordinates: [ 0.039256120000000, 0.923245390000000, 0.529880000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 108 coordinates: [ 0.455696720000000, 0.446795460000000, 0.094331940000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 109 coordinates: [ 0.026410370000000, 0.559992850000000, 0.025159750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.026410370000000, 0.440007150000000, 0.525159750000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 111 coordinates: [ 0.216598870000000, 0.671439300000000, 0.500825780000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 112 coordinates: [ 0.039256120000000, 0.076754610000000, 0.029880000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 113 coordinates: [ 0.301959660000000, 0.556634380000000, 0.962550310000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.381834470000000, 0.973647490000000, 0.730666770000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 115 coordinates: [ 0.471454170000000, 0.038217470000000, 0.679298840000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 116 coordinates: [ 0.092927700000000, 0.675653950000000, 0.140046820000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 117 coordinates: [ 0.122790080000000, 0.985706530000000, 0.419912410000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.211809690000000, 0.104008720000000, 0.803226190000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 119 coordinates: [ 0.163503230000000, 0.008377070000000, 0.632973000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 120 coordinates: [ 0.294522770000000, 0.054970370000000, 0.250325220000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 121 coordinates: [ 0.301959660000000, 0.443365620000000, 0.462550310000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 122 coordinates: [ 0.216598870000000, 0.328560700000000, 0.000825780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 123 coordinates: [ 0.034964850000000, 0.342196890000000, 0.839939860000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 124 coordinates: [ 0.448166270000000, 0.927864660000000, 0.396778180000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 125 coordinates: [ 0.257048020000000, 0.931935500000000, 0.053441090000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 126 coordinates: [ 0.211809690000000, 0.895991280000000, 0.303226190000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 127 coordinates: [ 0.369264690000000, 0.509798550000000, 0.624757080000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 128 coordinates: [ 0.171975610000000, 0.505123410000000, 0.152499210000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 129 coordinates: [ 0.257048020000000, 0.068064500000000, 0.553441090000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 130 coordinates: [ 0.488754090000000, 0.455587610000000, 0.800659980000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 131 coordinates: [ 0.279104330000000, 0.535991680000000, 0.180143310000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 132 coordinates: [ 0.077689970000000, 0.895195160000000, 0.734600090000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 133 coordinates: [ 0.121811780000000, 0.452684980000000, 0.367974360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 134 coordinates: [ 0.471454170000000, 0.961782530000000, 0.179298840000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 135 coordinates: [ 0.488754090000000, 0.544412390000000, 0.300659980000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 136 coordinates: [ 0.279104330000000, 0.464008320000000, 0.680143310000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 137 coordinates: [ 0.092927700000000, 0.324346050000000, 0.640046820000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 138 coordinates: [ 0.121811780000000, 0.547315020000000, 0.867974360000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 139 coordinates: [ 0.294522770000000, 0.945029630000000, 0.750325220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 140 coordinates: [ 0.448166270000000, 0.072135340000000, 0.896778180000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 141 coordinates: [ 0.225333270000000, 0.598174050000000, 0.833903030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 142 coordinates: [ 0.345215350000000, 0.994766110000000, 0.935254030000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 143 coordinates: [ 0.163503230000000, 0.991622930000000, 0.132973000000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 144 coordinates: [ 0.401585600000000, 0.502977320000000, 0.415449860000000 ] mass: 15.999400 reduced_to: 96supercell: lattice: - [ 31.091380319999999, 0.000000000000000, -0.006314030000000 ] # a - [ 0.000000000000000, 5.526097990000000, 0.000000000000000 ] # b - [ -0.181004700000000, 0.000000000000000, 12.346496780000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.685485380000000, 0.269438600000000, 0.973711930000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.610628160000000, 0.774148530000000, 0.065109340000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.685485380000000, 0.730561400000000, 0.473711930000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.610628160000000, 0.225851470000000, 0.565109340000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.185485380000000, 0.769438600000000, 0.973711930000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.110628160000000, 0.274148530000000, 0.065109340000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 7 coordinates: [ 0.185485380000000, 0.230561400000000, 0.473711930000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 8 coordinates: [ 0.110628160000000, 0.725851470000000, 0.565109340000000 ] mass: 22.989769 reduced_to: 4 - symbol: Y # 9 coordinates: [ 0.726144450000000, 0.290446720000000, 0.674719080000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 10 coordinates: [ 0.726144450000000, 0.709553280000000, 0.174719080000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 11 coordinates: [ 0.523095850000000, 0.307776850000000, 0.169912430000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 12 coordinates: [ 0.523095850000000, 0.692223150000000, 0.669912430000000 ] mass: 88.905850 reduced_to: 12 - symbol: Y # 13 coordinates: [ 0.226144450000000, 0.790446720000000, 0.674719080000000 ] mass: 88.905850 reduced_to: 9 - symbol: Y # 14 coordinates: [ 0.226144450000000, 0.209553280000000, 0.174719080000000 ] mass: 88.905850 reduced_to: 10 - symbol: Y # 15 coordinates: [ 0.023095850000000, 0.807776850000000, 0.169912430000000 ] mass: 88.905850 reduced_to: 11 - symbol: Y # 16 coordinates: [ 0.023095850000000, 0.192223150000000, 0.669912430000000 ] mass: 88.905850 reduced_to: 12 - symbol: I # 17 coordinates: [ 0.582946520000000, 0.705657970000000, 0.376805710000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.502741450000000, 0.794356780000000, 0.961618130000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.502741450000000, 0.205643220000000, 0.461618130000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.943418710000000, 0.746587780000000, 0.769215830000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.642242270000000, 0.246599750000000, 0.220217240000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.805004400000000, 0.247043460000000, 0.085680060000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.748465400000000, 0.811520990000000, 0.878803940000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.943418710000000, 0.253412220000000, 0.269215830000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.642242270000000, 0.753400250000000, 0.720217240000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.843136580000000, 0.692675370000000, 0.313089610000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.905471900000000, 0.814079890000000, 0.038773020000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.905471900000000, 0.185920110000000, 0.538773020000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.748465400000000, 0.188479010000000, 0.378803940000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.843136580000000, 0.307324630000000, 0.813089610000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.582946520000000, 0.294342030000000, 0.876805710000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.805004400000000, 0.752956540000000, 0.585680060000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.082946520000000, 0.205657970000000, 0.376805710000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 34 coordinates: [ 0.002741450000000, 0.294356780000000, 0.961618130000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 35 coordinates: [ 0.002741450000000, 0.705643220000000, 0.461618130000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 36 coordinates: [ 0.443418710000000, 0.246587780000000, 0.769215830000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 37 coordinates: [ 0.142242270000000, 0.746599750000000, 0.220217240000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 38 coordinates: [ 0.305004400000000, 0.747043460000000, 0.085680060000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 39 coordinates: [ 0.248465400000000, 0.311520990000000, 0.878803940000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 40 coordinates: [ 0.443418710000000, 0.753412220000000, 0.269215830000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 41 coordinates: [ 0.142242270000000, 0.253400250000000, 0.720217240000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 42 coordinates: [ 0.343136580000000, 0.192675370000000, 0.313089610000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 43 coordinates: [ 0.405471900000000, 0.314079890000000, 0.038773020000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 44 coordinates: [ 0.405471900000000, 0.685920110000000, 0.538773020000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 45 coordinates: [ 0.248465400000000, 0.688479010000000, 0.378803940000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 46 coordinates: [ 0.343136580000000, 0.807324630000000, 0.813089610000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 47 coordinates: [ 0.082946520000000, 0.794342030000000, 0.876805710000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 48 coordinates: [ 0.305004400000000, 0.252956540000000, 0.585680060000000 ] mass: 126.904470 reduced_to: 32 - symbol: O # 49 coordinates: [ 0.622790080000000, 0.514293470000000, 0.919912410000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.671975610000000, 0.994876590000000, 0.652499210000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.725333270000000, 0.901825950000000, 0.333903030000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.901585600000000, 0.997022680000000, 0.915449860000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.881834470000000, 0.526352510000000, 0.230666770000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.577689970000000, 0.604804840000000, 0.234600090000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.869264690000000, 0.990201450000000, 0.124757080000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.845215350000000, 0.505233890000000, 0.435254030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.534964850000000, 0.157803110000000, 0.339939860000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.955696720000000, 0.053204540000000, 0.594331940000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.539256120000000, 0.423245390000000, 0.529880000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.955696720000000, 0.946795460000000, 0.094331940000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.526410370000000, 0.059992850000000, 0.025159750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.526410370000000, 0.940007150000000, 0.525159750000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.716598870000000, 0.171439300000000, 0.500825780000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.539256120000000, 0.576754610000000, 0.029880000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.801959660000000, 0.056634380000000, 0.962550310000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.881834470000000, 0.473647490000000, 0.730666770000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.971454170000000, 0.538217470000000, 0.679298840000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.592927700000000, 0.175653950000000, 0.140046820000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.622790080000000, 0.485706530000000, 0.419912410000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.711809690000000, 0.604008720000000, 0.803226190000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.663503230000000, 0.508377070000000, 0.632973000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.794522770000000, 0.554970370000000, 0.250325220000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.801959660000000, 0.943365620000000, 0.462550310000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.716598870000000, 0.828560700000000, 0.000825780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.534964850000000, 0.842196890000000, 0.839939860000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.948166270000000, 0.427864660000000, 0.396778180000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.757048020000000, 0.431935500000000, 0.053441090000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.711809690000000, 0.395991280000000, 0.303226190000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.869264690000000, 0.009798550000000, 0.624757080000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.671975610000000, 0.005123410000000, 0.152499210000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.757048020000000, 0.568064500000000, 0.553441090000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.988754090000000, 0.955587610000000, 0.800659980000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.779104330000000, 0.035991680000000, 0.180143310000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.577689970000000, 0.395195160000000, 0.734600090000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.621811780000000, 0.952684980000000, 0.367974360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.971454170000000, 0.461782530000000, 0.179298840000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.988754090000000, 0.044412390000000, 0.300659980000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.779104330000000, 0.964008320000000, 0.680143310000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.592927700000000, 0.824346050000000, 0.640046820000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.621811780000000, 0.047315020000000, 0.867974360000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.794522770000000, 0.445029630000000, 0.750325220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.948166270000000, 0.572135340000000, 0.896778180000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.725333270000000, 0.098174050000000, 0.833903030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.845215350000000, 0.494766110000000, 0.935254030000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.663503230000000, 0.491622930000000, 0.132973000000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.901585600000000, 0.002977320000000, 0.415449860000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.122790080000000, 0.014293470000000, 0.919912410000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.171975610000000, 0.494876590000000, 0.652499210000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 99 coordinates: [ 0.225333270000000, 0.401825950000000, 0.333903030000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 100 coordinates: [ 0.401585600000000, 0.497022680000000, 0.915449860000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 101 coordinates: [ 0.381834470000000, 0.026352510000000, 0.230666770000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.077689970000000, 0.104804840000000, 0.234600090000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 103 coordinates: [ 0.369264690000000, 0.490201450000000, 0.124757080000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 104 coordinates: [ 0.345215350000000, 0.005233890000000, 0.435254030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 105 coordinates: [ 0.034964850000000, 0.657803110000000, 0.339939860000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.455696720000000, 0.553204540000000, 0.594331940000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 107 coordinates: [ 0.039256120000000, 0.923245390000000, 0.529880000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 108 coordinates: [ 0.455696720000000, 0.446795460000000, 0.094331940000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 109 coordinates: [ 0.026410370000000, 0.559992850000000, 0.025159750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.026410370000000, 0.440007150000000, 0.525159750000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 111 coordinates: [ 0.216598870000000, 0.671439300000000, 0.500825780000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 112 coordinates: [ 0.039256120000000, 0.076754610000000, 0.029880000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 113 coordinates: [ 0.301959660000000, 0.556634380000000, 0.962550310000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.381834470000000, 0.973647490000000, 0.730666770000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 115 coordinates: [ 0.471454170000000, 0.038217470000000, 0.679298840000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 116 coordinates: [ 0.092927700000000, 0.675653950000000, 0.140046820000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 117 coordinates: [ 0.122790080000000, 0.985706530000000, 0.419912410000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.211809690000000, 0.104008720000000, 0.803226190000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 119 coordinates: [ 0.163503230000000, 0.008377070000000, 0.632973000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 120 coordinates: [ 0.294522770000000, 0.054970370000000, 0.250325220000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 121 coordinates: [ 0.301959660000000, 0.443365620000000, 0.462550310000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 122 coordinates: [ 0.216598870000000, 0.328560700000000, 0.000825780000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 123 coordinates: [ 0.034964850000000, 0.342196890000000, 0.839939860000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 124 coordinates: [ 0.448166270000000, 0.927864660000000, 0.396778180000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 125 coordinates: [ 0.257048020000000, 0.931935500000000, 0.053441090000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 126 coordinates: [ 0.211809690000000, 0.895991280000000, 0.303226190000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 127 coordinates: [ 0.369264690000000, 0.509798550000000, 0.624757080000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 128 coordinates: [ 0.171975610000000, 0.505123410000000, 0.152499210000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 129 coordinates: [ 0.257048020000000, 0.068064500000000, 0.553441090000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 130 coordinates: [ 0.488754090000000, 0.455587610000000, 0.800659980000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 131 coordinates: [ 0.279104330000000, 0.535991680000000, 0.180143310000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 132 coordinates: [ 0.077689970000000, 0.895195160000000, 0.734600090000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 133 coordinates: [ 0.121811780000000, 0.452684980000000, 0.367974360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 134 coordinates: [ 0.471454170000000, 0.961782530000000, 0.179298840000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 135 coordinates: [ 0.488754090000000, 0.544412390000000, 0.300659980000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 136 coordinates: [ 0.279104330000000, 0.464008320000000, 0.680143310000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 137 coordinates: [ 0.092927700000000, 0.324346050000000, 0.640046820000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 138 coordinates: [ 0.121811780000000, 0.547315020000000, 0.867974360000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 139 coordinates: [ 0.294522770000000, 0.945029630000000, 0.750325220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 140 coordinates: [ 0.448166270000000, 0.072135340000000, 0.896778180000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 141 coordinates: [ 0.225333270000000, 0.598174050000000, 0.833903030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 142 coordinates: [ 0.345215350000000, 0.994766110000000, 0.935254030000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 143 coordinates: [ 0.163503230000000, 0.991622930000000, 0.132973000000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 144 coordinates: [ 0.401585600000000, 0.502977320000000, 0.415449860000000 ] mass: 15.999400 reduced_to: 96displacements:- atom: 1 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0261706300000000, 0.0078850800000000, 0.0071389700000000 ] - [ 0.0002482700000000, -0.0000238000000000, -0.0013986000000000 ] - [ -0.0010495800000000, -0.0001571600000000, -0.0002334000000000 ] - [ -0.0008929800000000, 0.0003575000000000, 0.0005897300000000 ] - [ 0.0003798700000000, 0.0001126100000000, -0.0002914200000000 ] - [ -0.0000245600000000, -0.0002362800000000, 0.0002221400000000 ] - [ 0.0003729900000000, -0.0001130100000000, -0.0002915100000000 ] - [ -0.0000358000000000, 0.0002371200000000, 0.0002143000000000 ] - [ -0.0036277300000000, 0.0002602400000000, -0.0043521400000000 ] - [ -0.0060869500000000, 0.0009936800000000, 0.0044410200000000 ] - [ 0.0007954700000000, 0.0000603300000000, -0.0010268400000000 ] - [ 0.0007375100000000, -0.0007703600000000, 0.0015102300000000 ] - [ 0.0013795800000000, 0.0002486800000000, -0.0003008600000000 ] - [ 0.0013709200000000, -0.0002413100000000, -0.0003268100000000 ] - [ 0.0012864100000000, 0.0001544000000000, 0.0002058700000000 ] - [ 0.0011737000000000, -0.0002145000000000, 0.0000199600000000 ] - [ -0.0007101400000000, -0.0000747300000000, -0.0005407400000000 ] - [ 0.0024402000000000, -0.0011020600000000, 0.0002473600000000 ] - [ 0.0010338700000000, 0.0009396600000000, 0.0006527500000000 ] - [ 0.0008446400000000, 0.0008736800000000, 0.0005529000000000 ] - [ -0.0032148400000000, -0.0001785000000000, -0.0074765000000000 ] - [ 0.0065573700000000, -0.0029095400000000, 0.0030726700000000 ] - [ 0.0027094800000000, -0.0044415400000000, -0.0060260700000000 ] - [ 0.0006522900000000, -0.0007357500000000, 0.0011465700000000 ] - [ -0.0076398300000000, 0.0014291000000000, 0.0037593700000000 ] - [ 0.0008868000000000, -0.0002526200000000, 0.0010584400000000 ] - [ 0.0016544100000000, 0.0001977500000000, -0.0004520900000000 ] - [ 0.0006679400000000, -0.0003964300000000, -0.0001953800000000 ] - [ -0.0020432100000000, 0.0010473100000000, 0.0003114000000000 ] - [ 0.0016294800000000, 0.0004035100000000, -0.0016070200000000 ] - [ 0.0117758400000000, -0.0002785500000000, 0.0049593700000000 ] - [ -0.0002597700000000, -0.0003673100000000, -0.0012446200000000 ] - [ 0.0009202500000000, 0.0000103400000000, 0.0000309100000000 ] - [ 0.0016522200000000, -0.0008720800000000, 0.0005336500000000 ] - [ 0.0014931800000000, 0.0008977800000000, 0.0005302800000000 ] - [ 0.0010351800000000, 0.0010106500000000, 0.0011580000000000 ] - [ 0.0020038300000000, 0.0001802100000000, -0.0002245000000000 ] - [ 0.0011346800000000, -0.0000725300000000, -0.0002735900000000 ] - [ 0.0012220100000000, 0.0002056700000000, 0.0000841000000000 ] - [ 0.0005509500000000, -0.0006618900000000, 0.0005692100000000 ] - [ 0.0020073600000000, -0.0001790300000000, -0.0002449100000000 ] - [ 0.0013626500000000, -0.0001845700000000, 0.0000000500000000 ] - [ 0.0012128100000000, 0.0002775200000000, -0.0004152400000000 ] - [ 0.0009996400000000, -0.0003252200000000, -0.0000746400000000 ] - [ 0.0011955300000000, -0.0002058600000000, 0.0000735100000000 ] - [ 0.0014969300000000, 0.0001931600000000, 0.0000299900000000 ] - [ 0.0009609500000000, -0.0000122800000000, 0.0000031300000000 ] - [ 0.0010692600000000, 0.0000379400000000, -0.0001856100000000 ] - [ 0.0018869500000000, -0.0019223200000000, -0.0005958300000000 ] - [ 0.0024289600000000, 0.0008373600000000, -0.0008888900000000 ] - [ 0.0007662900000000, -0.0003533900000000, -0.0004032400000000 ] - [ -0.0006721600000000, -0.0000338300000000, 0.0007508300000000 ] - [ -0.0001916800000000, 0.0004014800000000, 0.0000374600000000 ] - [ -0.0002139500000000, 0.0002116100000000, 0.0002349700000000 ] - [ -0.0014403900000000, 0.0007742600000000, 0.0001103200000000 ] - [ -0.0000973300000000, 0.0002391700000000, -0.0005467100000000 ] - [ 0.0002152400000000, -0.0000450300000000, 0.0003209700000000 ] - [ -0.0010443800000000, 0.0003014900000000, 0.0002519400000000 ] - [ -0.0002044200000000, -0.0000405000000000, -0.0009316200000000 ] - [ -0.0014833600000000, -0.0004573400000000, 0.0000768500000000 ] - [ -0.0002293700000000, -0.0005796700000000, 0.0009577900000000 ] - [ 0.0003665400000000, 0.0006531000000000, 0.0002521500000000 ] - [ 0.0009566800000000, 0.0000883700000000, -0.0001995800000000 ] - [ -0.0011268600000000, 0.0002243100000000, 0.0001418200000000 ] - [ -0.0010511700000000, 0.0004650500000000, 0.0007175800000000 ] - [ -0.0005634100000000, -0.0007061000000000, 0.0007215800000000 ] - [ -0.0002770300000000, 0.0005436800000000, 0.0000925300000000 ] - [ 0.0005641900000000, 0.0001890000000000, 0.0028415100000000 ] - [ 0.0000594300000000, -0.0002968100000000, -0.0002469500000000 ] - [ 0.0041604400000000, 0.0003666900000000, 0.0029735400000000 ] - [ 0.0024083500000000, -0.0011318100000000, -0.0010792600000000 ] - [ 0.0000250200000000, -0.0000189300000000, -0.0014388500000000 ] - [ 0.0006598300000000, -0.0002934000000000, 0.0005488300000000 ] - [ 0.0017150600000000, 0.0006990200000000, -0.0006687400000000 ] - [ -0.0007876200000000, -0.0004211000000000, 0.0000826900000000 ] - [ -0.0003430800000000, -0.0006986600000000, 0.0002986700000000 ] - [ -0.0009961600000000, -0.0000701500000000, -0.0020194400000000 ] - [ 0.0025914200000000, -0.0001073900000000, 0.0001680300000000 ] - [ -0.0002456200000000, 0.0001812300000000, 0.0002068500000000 ] - [ 0.0034949000000000, -0.0011311000000000, 0.0006395400000000 ] - [ 0.0010633100000000, 0.0003180100000000, 0.0001121300000000 ] - [ -0.0008129900000000, 0.0000688500000000, 0.0007224600000000 ] - [ 0.0004318400000000, 0.0009696000000000, -0.0020180900000000 ] - [ -0.0010411300000000, 0.0013049900000000, -0.0035090700000000 ] - [ 0.0007007700000000, 0.0000257000000000, -0.0000802200000000 ] - [ -0.0002049200000000, -0.0004623200000000, -0.0000683900000000 ] - [ -0.0007490900000000, -0.0001124300000000, 0.0006189400000000 ] - [ -0.0003605100000000, 0.0006469300000000, 0.0011333100000000 ] - [ 0.0017733300000000, -0.0000555600000000, 0.0000064100000000 ] - [ -0.0000826000000000, -0.0015115200000000, -0.0030125900000000 ] - [ 0.0001178000000000, -0.0004650100000000, 0.0005357300000000 ] - [ -0.0004742900000000, 0.0007010900000000, 0.0005915800000000 ] - [ 0.0044449000000000, -0.0024012000000000, -0.0036091000000000 ] - [ -0.0006924600000000, 0.0000119300000000, 0.0005513900000000 ] - [ 0.0039781800000000, 0.0001967000000000, -0.0007657000000000 ] - [ -0.0004325100000000, 0.0000337500000000, 0.0005302900000000 ] - [ -0.0009230800000000, 0.0000596000000000, -0.0003263500000000 ] - [ -0.0008604200000000, -0.0007832600000000, -0.0000286500000000 ] - [ -0.0004736700000000, -0.0001221500000000, -0.0000359800000000 ] - [ -0.0006055800000000, -0.0000021600000000, 0.0006451400000000 ] - [ -0.0004429600000000, 0.0005243700000000, 0.0004318400000000 ] - [ -0.0008424000000000, -0.0000335500000000, -0.0006526000000000 ] - [ -0.0007212400000000, 0.0001737000000000, 0.0002082100000000 ] - [ -0.0003516700000000, 0.0001496300000000, -0.0001075600000000 ] - [ -0.0000965000000000, 0.0001080000000000, 0.0002097400000000 ] - [ -0.0011397800000000, 0.0003653300000000, 0.0000558500000000 ] - [ -0.0004888000000000, -0.0000868100000000, -0.0005064300000000 ] - [ -0.0012875900000000, -0.0003963900000000, 0.0003114200000000 ] - [ -0.0000403700000000, -0.0007572500000000, 0.0003763700000000 ] - [ -0.0000161800000000, 0.0007496800000000, 0.0004089900000000 ] - [ -0.0002986100000000, 0.0000352100000000, -0.0001672200000000 ] - [ -0.0005540000000000, 0.0000919100000000, -0.0005096200000000 ] - [ -0.0002853500000000, -0.0003876300000000, 0.0000133600000000 ] - [ -0.0005781500000000, -0.0006369000000000, 0.0003917900000000 ] - [ -0.0001983300000000, 0.0004001300000000, -0.0002298800000000 ] - [ -0.0008062500000000, -0.0000315300000000, -0.0003277700000000 ] - [ -0.0009118000000000, -0.0000580400000000, -0.0003336900000000 ] - [ -0.0006018500000000, 0.0001075000000000, -0.0005768500000000 ] - [ -0.0009423100000000, 0.0002360700000000, -0.0001929800000000 ] - [ -0.0004723700000000, 0.0001392900000000, -0.0004830000000000 ] - [ -0.0002627800000000, 0.0003876500000000, -0.0000203100000000 ] - [ -0.0003057200000000, -0.0000362500000000, -0.0001616200000000 ] - [ -0.0001353600000000, -0.0001034100000000, 0.0002661100000000 ] - [ -0.0002423800000000, -0.0005892000000000, 0.0005139500000000 ] - [ -0.0002475900000000, 0.0001043500000000, -0.0002496600000000 ] - [ -0.0005913800000000, -0.0001082200000000, -0.0005739600000000 ] - [ -0.0006246100000000, -0.0000898300000000, 0.0000785200000000 ] - [ -0.0008628600000000, 0.0007838400000000, -0.0000300400000000 ] - [ -0.0002287400000000, -0.0000948300000000, -0.0002644900000000 ] - [ -0.0011250600000000, 0.0000301500000000, 0.0004130700000000 ] - [ -0.0006312000000000, -0.0005764200000000, 0.0002678300000000 ] - [ -0.0008479900000000, 0.0000250900000000, -0.0006280600000000 ] - [ -0.0002510400000000, -0.0002340100000000, -0.0001594900000000 ] - [ -0.0002852900000000, -0.0005660900000000, 0.0002427300000000 ] - [ -0.0004713700000000, -0.0001918100000000, 0.0008363400000000 ] - [ -0.0006148200000000, 0.0005626000000000, 0.0002388000000000 ] - [ -0.0007850900000000, 0.0000324500000000, -0.0003145800000000 ] - [ -0.0002646100000000, 0.0002373800000000, -0.0001520600000000 ] - [ -0.0005321400000000, -0.0001074500000000, -0.0005244700000000 ] - [ -0.0005776100000000, 0.0008197800000000, 0.0003526700000000 ] - [ -0.0004796900000000, 0.0001231500000000, -0.0000425900000000 ] - [ -0.0003931400000000, -0.0001657900000000, -0.0001050800000000 ] - [ -0.0009435200000000, -0.0002368700000000, -0.0001952100000000 ] - [ -0.0005061500000000, 0.0000041300000000, 0.0005577000000000 ]- atom: 1 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0262832700000000, -0.0077173400000000, -0.0074663700000000 ] - [ -0.0009309900000000, -0.0004976300000000, 0.0017394000000000 ] - [ 0.0010198400000000, -0.0000802100000000, -0.0003651100000000 ] - [ 0.0002088200000000, 0.0001601600000000, -0.0002594600000000 ] - [ -0.0004094000000000, 0.0001240500000000, -0.0003061100000000 ] - [ -0.0006609100000000, -0.0002827800000000, 0.0001099400000000 ] - [ -0.0004024400000000, -0.0001244400000000, -0.0003061600000000 ] - [ -0.0006496000000000, 0.0002809200000000, 0.0001178700000000 ] - [ 0.0038382400000000, 0.0000406900000000, 0.0036641000000000 ] - [ 0.0062697900000000, -0.0012944000000000, -0.0051492400000000 ] - [ -0.0009823200000000, 0.0004511100000000, 0.0012309200000000 ] - [ -0.0009231200000000, 0.0002627800000000, -0.0013141400000000 ] - [ -0.0011596000000000, 0.0000549000000000, -0.0003981800000000 ] - [ -0.0011508300000000, -0.0000623600000000, -0.0003720900000000 ] - [ -0.0014723100000000, 0.0003538900000000, -0.0000053300000000 ] - [ -0.0013596900000000, -0.0002952100000000, 0.0001797000000000 ] - [ 0.0006944800000000, -0.0000250400000000, 0.0004444700000000 ] - [ -0.0011823100000000, -0.0005143100000000, 0.0005805200000000 ] - [ 0.0002287500000000, 0.0006765200000000, 0.0001746400000000 ] - [ -0.0014137300000000, 0.0002766100000000, 0.0011115900000000 ] - [ 0.0041087800000000, 0.0001350800000000, 0.0071621000000000 ] - [ -0.0063907200000000, 0.0030838900000000, -0.0035043200000000 ] - [ -0.0023388000000000, 0.0042555700000000, 0.0057878800000000 ] - [ -0.0012221900000000, -0.0004142500000000, 0.0005197600000000 ] - [ 0.0084918800000000, -0.0013835400000000, -0.0040892800000000 ] - [ -0.0001927100000000, -0.0001858800000000, -0.0006757800000000 ] - [ -0.0015824500000000, 0.0004927200000000, 0.0004079500000000 ] - [ -0.0006002500000000, -0.0002954800000000, 0.0001519900000000 ] - [ 0.0024365300000000, -0.0008868000000000, -0.0005115100000000 ] - [ -0.0009321600000000, 0.0000351400000000, 0.0019756500000000 ] - [ -0.0119419600000000, 0.0004035600000000, -0.0051272900000000 ] - [ 0.0003624900000000, 0.0002016100000000, 0.0007791500000000 ] - [ -0.0009426200000000, -0.0001111500000000, -0.0001273100000000 ] - [ -0.0003910500000000, -0.0007446000000000, 0.0002941400000000 ] - [ -0.0002328400000000, 0.0007183200000000, 0.0002976800000000 ] - [ -0.0016056500000000, 0.0001387200000000, 0.0005064700000000 ] - [ -0.0011739300000000, -0.0002302000000000, -0.0001067800000000 ] - [ -0.0010265500000000, 0.0002409000000000, -0.0001933300000000 ] - [ -0.0008228400000000, -0.0003657700000000, -0.0002858100000000 ] - [ -0.0011196600000000, -0.0004890900000000, 0.0010971500000000 ] - [ -0.0011774100000000, 0.0002288700000000, -0.0000863200000000 ] - [ -0.0006675800000000, -0.0002533400000000, 0.0003780100000000 ] - [ -0.0011435800000000, 0.0004137700000000, 0.0003715900000000 ] - [ -0.0009297000000000, -0.0003663000000000, 0.0000302600000000 ] - [ -0.0007961200000000, 0.0003656200000000, -0.0002749800000000 ] - [ -0.0008023400000000, 0.0002445500000000, 0.0003478900000000 ] - [ -0.0009831700000000, 0.0001129000000000, -0.0001000500000000 ] - [ -0.0009608200000000, -0.0002065400000000, -0.0002816600000000 ] - [ -0.0031775000000000, 0.0023500700000000, -0.0001865700000000 ] - [ -0.0030013200000000, -0.0017765400000000, 0.0005678400000000 ] - [ -0.0010930200000000, 0.0001194800000000, 0.0003618400000000 ] - [ 0.0001964300000000, -0.0002391600000000, 0.0003968000000000 ] - [ 0.0004700300000000, 0.0000385300000000, 0.0003753100000000 ] - [ -0.0006345100000000, -0.0001579200000000, -0.0012116800000000 ] - [ 0.0013571500000000, -0.0012165200000000, -0.0002364100000000 ] - [ -0.0000322700000000, -0.0001164900000000, 0.0002287100000000 ] - [ 0.0002612400000000, 0.0000939600000000, 0.0000176000000000 ] - [ -0.0000128200000000, 0.0000738200000000, 0.0004524700000000 ] - [ 0.0001075300000000, 0.0001559500000000, -0.0000399300000000 ] - [ 0.0004243400000000, 0.0000816600000000, 0.0006271200000000 ] - [ 0.0008947600000000, -0.0007256100000000, -0.0001482200000000 ] - [ 0.0002969900000000, 0.0006521100000000, 0.0005596300000000 ] - [ -0.0008906600000000, -0.0000022100000000, -0.0002320700000000 ] - [ 0.0010326700000000, -0.0003413200000000, -0.0011158100000000 ] - [ 0.0013751100000000, -0.0008133100000000, -0.0007045900000000 ] - [ 0.0008407800000000, 0.0002648300000000, -0.0003062400000000 ] - [ 0.0005376900000000, 0.0002591300000000, -0.0002043200000000 ] - [ -0.0003588300000000, -0.0002363800000000, -0.0029955500000000 ] - [ -0.0011061400000000, 0.0000288800000000, -0.0004452300000000 ] - [ -0.0038686200000000, -0.0000752500000000, -0.0036903800000000 ] - [ -0.0030881100000000, 0.0011034900000000, 0.0005306600000000 ] - [ 0.0003061100000000, 0.0006819500000000, 0.0008425800000000 ] - [ -0.0003235800000000, 0.0006518500000000, -0.0005409500000000 ] - [ -0.0016187300000000, -0.0007941100000000, 0.0002382600000000 ] - [ 0.0012658300000000, 0.0003733400000000, 0.0002570400000000 ] - [ 0.0004077400000000, -0.0003170200000000, 0.0004247600000000 ] - [ 0.0017866800000000, -0.0000647100000000, 0.0016537600000000 ] - [ -0.0023089400000000, -0.0001799700000000, -0.0008730700000000 ] - [ 0.0001662800000000, 0.0002630400000000, -0.0003323200000000 ] - [ -0.0040745400000000, 0.0020650000000000, -0.0009437900000000 ] - [ -0.0004379900000000, -0.0001392200000000, -0.0005428700000000 ] - [ 0.0004452500000000, 0.0006290500000000, 0.0008019500000000 ] - [ -0.0008300400000000, -0.0018818400000000, 0.0022872800000000 ] - [ 0.0001998800000000, -0.0013636300000000, 0.0025402000000000 ] - [ -0.0003211500000000, -0.0001173500000000, -0.0004394400000000 ] - [ 0.0004659400000000, -0.0003403100000000, -0.0000439000000000 ] - [ 0.0003817900000000, -0.0005860600000000, 0.0009048600000000 ] - [ -0.0000308800000000, 0.0002686800000000, -0.0008629300000000 ] - [ -0.0015647100000000, 0.0001022100000000, -0.0001292300000000 ] - [ 0.0003953600000000, 0.0015721400000000, 0.0024561500000000 ] - [ 0.0002155200000000, -0.0002019700000000, -0.0011239900000000 ] - [ 0.0005384900000000, 0.0003146700000000, 0.0001323400000000 ] - [ -0.0046866800000000, 0.0025268700000000, 0.0033904100000000 ] - [ 0.0005599400000000, -0.0001339200000000, -0.0008636100000000 ] - [ -0.0046600100000000, -0.0001580700000000, 0.0002475900000000 ] - [ -0.0000420900000000, 0.0002390100000000, 0.0006162400000000 ] - [ -0.0001218200000000, 0.0002084000000000, -0.0003678700000000 ] - [ 0.0002913500000000, -0.0001543500000000, -0.0002925900000000 ] - [ 0.0001436000000000, -0.0001123400000000, -0.0000063100000000 ] - [ 0.0001307600000000, -0.0002708700000000, 0.0005017800000000 ] - [ 0.0007202900000000, -0.0000836500000000, -0.0000178900000000 ] - [ -0.0000009400000000, 0.0000878600000000, -0.0003212500000000 ] - [ 0.0006400000000000, -0.0006172200000000, -0.0003337800000000 ] - [ 0.0002208500000000, -0.0000272700000000, -0.0002081100000000 ] - [ 0.0005742500000000, -0.0000592400000000, 0.0001290800000000 ] - [ 0.0000810300000000, 0.0000103300000000, 0.0006485200000000 ] - [ 0.0003931900000000, 0.0002026400000000, -0.0004669400000000 ] - [ 0.0002297900000000, 0.0000210400000000, 0.0003924300000000 ] - [ 0.0007046500000000, -0.0005479900000000, 0.0004347800000000 ] - [ 0.0006811800000000, 0.0005551600000000, 0.0004016400000000 ] - [ 0.0003646900000000, 0.0000513400000000, -0.0002649200000000 ] - [ 0.0004584000000000, -0.0002080100000000, -0.0004635700000000 ] - [ 0.0006194300000000, 0.0000284900000000, -0.0000037700000000 ] - [ 0.0008560000000000, 0.0001964600000000, 0.0000225300000000 ] - [ 0.0004588700000000, 0.0004028000000000, 0.0001185600000000 ] - [ 0.0010182700000000, -0.0000148200000000, 0.0002059600000000 ] - [ -0.0001331200000000, -0.0002101200000000, -0.0003610300000000 ] - [ 0.0008828600000000, 0.0001783800000000, -0.0001302000000000 ] - [ 0.0002664400000000, -0.0002661200000000, -0.0003558800000000 ] - [ 0.0008026400000000, 0.0005251300000000, -0.0001099600000000 ] - [ 0.0005966500000000, -0.0000283000000000, 0.0000301800000000 ] - [ 0.0003715800000000, -0.0000501900000000, -0.0002699900000000 ] - [ 0.0006131300000000, 0.0000547000000000, 0.0000729500000000 ] - [ 0.0003062900000000, -0.0004269500000000, 0.0002096900000000 ] - [ 0.0008708400000000, -0.0002827300000000, -0.0001805900000000 ] - [ 0.0008717800000000, -0.0001780800000000, -0.0001328200000000 ] - [ 0.0005434600000000, 0.0005328800000000, -0.0002042100000000 ] - [ 0.0002938700000000, 0.0001535400000000, -0.0002911900000000 ] - [ 0.0008520400000000, 0.0002730900000000, -0.0001658800000000 ] - [ 0.0007587800000000, 0.0006680400000000, 0.0011120000000000 ] - [ 0.0002335400000000, -0.0003416800000000, 0.0000083500000000 ] - [ 0.0000046000000000, -0.0000793200000000, -0.0003457200000000 ] - [ 0.0006365400000000, 0.0001460900000000, -0.0003644000000000 ] - [ 0.0005461700000000, -0.0002364700000000, -0.0003554000000000 ] - [ 0.0001024200000000, -0.0005061900000000, 0.0006870000000000 ] - [ 0.0002168900000000, 0.0003553200000000, 0.0000373400000000 ] - [ 0.0009980800000000, 0.0000141200000000, 0.0001926000000000 ] - [ 0.0006499300000000, -0.0001496300000000, -0.0003722400000000 ] - [ 0.0008628000000000, -0.0005573800000000, -0.0000678800000000 ] - [ 0.0006424700000000, 0.0001955500000000, 0.0003713000000000 ] - [ 0.0001491200000000, 0.0001115400000000, -0.0000001900000000 ] - [ 0.0002624900000000, 0.0000434000000000, -0.0002103900000000 ] - [ 0.0002676300000000, 0.0002666600000000, -0.0003537100000000 ] - [ 0.0000313600000000, 0.0002689400000000, 0.0005894700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0077634200000000, -0.0141878800000000, -0.0098937700000000 ] - [ -0.0000259400000000, 0.0016875500000000, 0.0000407800000000 ] - [ 0.0000231800000000, -0.0000987900000000, -0.0002955400000000 ] - [ -0.0002968800000000, 0.0002308100000000, 0.0001740700000000 ] - [ -0.0000204800000000, 0.0001180700000000, -0.0002987800000000 ] - [ -0.0003462800000000, -0.0002598800000000, 0.0001654300000000 ] - [ -0.0000205400000000, -0.0001188600000000, -0.0002987000000000 ] - [ -0.0003476300000000, 0.0002592700000000, 0.0001652600000000 ] - [ 0.0003119500000000, -0.0010600600000000, 0.0001052000000000 ] - [ 0.0009411400000000, 0.0038787300000000, 0.0010586400000000 ] - [ 0.0000253400000000, 0.0002081600000000, 0.0001513100000000 ] - [ -0.0001002000000000, -0.0001946800000000, 0.0000267100000000 ] - [ 0.0000905700000000, 0.0001500700000000, -0.0003506100000000 ] - [ 0.0000922900000000, -0.0001510100000000, -0.0003492700000000 ] - [ -0.0000964900000000, 0.0002503400000000, 0.0001091200000000 ] - [ -0.0001247200000000, -0.0002603200000000, 0.0000933300000000 ] - [ 0.0000566500000000, -0.0000787200000000, -0.0001023700000000 ] - [ 0.0005458800000000, -0.0007764200000000, 0.0004763700000000 ] - [ 0.0006244900000000, 0.0007846100000000, 0.0003739400000000 ] - [ -0.0003355200000000, 0.0005726800000000, 0.0007812500000000 ] - [ 0.0009772500000000, -0.0060673000000000, -0.0007557100000000 ] - [ -0.0001465100000000, -0.0019470900000000, -0.0005853700000000 ] - [ -0.0015153200000000, 0.0106487700000000, 0.0035509000000000 ] - [ -0.0002931800000000, -0.0005686300000000, 0.0008787100000000 ] - [ 0.0000895400000000, 0.0021563900000000, -0.0006317900000000 ] - [ 0.0003343000000000, -0.0001764200000000, 0.0003588400000000 ] - [ 0.0000791500000000, 0.0003455800000000, -0.0001817600000000 ] - [ -0.0000496300000000, -0.0003689100000000, 0.0000453900000000 ] - [ 0.0001314500000000, -0.0001979100000000, -0.0000413000000000 ] - [ 0.0000631900000000, 0.0001150000000000, 0.0000786500000000 ] - [ 0.0000932100000000, -0.0053631500000000, -0.0011990100000000 ] - [ -0.0000692400000000, 0.0001039800000000, -0.0000477500000000 ] - [ -0.0000262500000000, -0.0000511100000000, -0.0000448200000000 ] - [ 0.0006231700000000, -0.0008047700000000, 0.0004017800000000 ] - [ 0.0006100500000000, 0.0008093000000000, 0.0004214500000000 ] - [ -0.0003275200000000, 0.0005629900000000, 0.0008193600000000 ] - [ 0.0003936400000000, -0.0000280400000000, -0.0001629100000000 ] - [ 0.0000397200000000, 0.0000874100000000, -0.0002303000000000 ] - [ 0.0001851100000000, -0.0000844500000000, -0.0001037800000000 ] - [ -0.0002812400000000, -0.0005752300000000, 0.0008321600000000 ] - [ 0.0003909800000000, 0.0000292100000000, -0.0001658700000000 ] - [ 0.0003348800000000, -0.0002171800000000, 0.0001898800000000 ] - [ 0.0000267600000000, 0.0003532900000000, -0.0000023600000000 ] - [ 0.0000213200000000, -0.0003440200000000, -0.0000297900000000 ] - [ 0.0001865500000000, 0.0000838100000000, -0.0001035000000000 ] - [ 0.0003268700000000, 0.0002160000000000, 0.0001932900000000 ] - [ -0.0000251400000000, 0.0000512000000000, -0.0000519900000000 ] - [ 0.0000406700000000, -0.0000864400000000, -0.0002355000000000 ] - [ -0.0012401800000000, 0.0039857600000000, -0.0005988400000000 ] - [ -0.0005411200000000, -0.0009136400000000, -0.0002221000000000 ] - [ 0.0000348000000000, -0.0001121500000000, 0.0000967500000000 ] - [ -0.0002146500000000, -0.0001729300000000, 0.0006320500000000 ] - [ 0.0001637800000000, 0.0001966100000000, 0.0001443600000000 ] - [ -0.0004241900000000, 0.0000884000000000, -0.0005709400000000 ] - [ -0.0002620500000000, 0.0000124500000000, 0.0000046300000000 ] - [ -0.0000462400000000, 0.0000777000000000, -0.0002831800000000 ] - [ 0.0002201100000000, 0.0000285900000000, 0.0002037600000000 ] - [ -0.0004903300000000, 0.0001783000000000, 0.0003580600000000 ] - [ -0.0000320900000000, 0.0000651500000000, -0.0004431600000000 ] - [ -0.0005604000000000, -0.0001960100000000, 0.0003524300000000 ] - [ 0.0003437200000000, -0.0006125100000000, 0.0002632400000000 ] - [ 0.0003301000000000, 0.0006499000000000, 0.0004194600000000 ] - [ 0.0000203200000000, 0.0000434700000000, -0.0003490900000000 ] - [ 0.0000935100000000, -0.0000359100000000, -0.0005063200000000 ] - [ 0.0006292200000000, 0.0001689100000000, 0.0003914600000000 ] - [ 0.0001855500000000, -0.0001913500000000, 0.0002208900000000 ] - [ 0.0001387400000000, 0.0004038200000000, -0.0000480800000000 ] - [ -0.0002278500000000, 0.0005491900000000, 0.0002209000000000 ] - [ -0.0006037600000000, 0.0000348900000000, -0.0002280600000000 ] - [ -0.0020467400000000, -0.0027387300000000, 0.0003450600000000 ] - [ -0.0003578900000000, -0.0000416300000000, -0.0002233400000000 ] - [ 0.0000792800000000, 0.0002680200000000, -0.0004462900000000 ] - [ 0.0002084900000000, 0.0002304600000000, -0.0002318800000000 ] - [ 0.0002412100000000, -0.0040538800000000, -0.0004700800000000 ] - [ 0.0002531700000000, 0.0000345800000000, 0.0002105300000000 ] - [ 0.0000424400000000, -0.0005062700000000, 0.0003369000000000 ] - [ -0.0000005500000000, 0.0013302100000000, 0.0000912700000000 ] - [ -0.0000482000000000, 0.0001057000000000, -0.0005827700000000 ] - [ 0.0000430800000000, 0.0002701100000000, -0.0000931400000000 ] - [ -0.0012850300000000, 0.0021896200000000, 0.0023426000000000 ] - [ 0.0002940000000000, 0.0001013100000000, -0.0002218000000000 ] - [ -0.0001656800000000, 0.0003543400000000, 0.0007747600000000 ] - [ 0.0003205900000000, -0.0001246000000000, 0.0001819400000000 ] - [ -0.0003847600000000, 0.0004662700000000, 0.0000116700000000 ] - [ 0.0002766500000000, 0.0002083000000000, -0.0003275400000000 ] - [ 0.0001364900000000, -0.0003951900000000, -0.0000675200000000 ] - [ -0.0001770300000000, -0.0003532800000000, 0.0007563800000000 ] - [ 0.0000408200000000, 0.0001928600000000, -0.0002618100000000 ] - [ 0.0001141700000000, -0.0000924300000000, -0.0000471000000000 ] - [ -0.0022516900000000, 0.0024614000000000, -0.0008524100000000 ] - [ 0.0002889900000000, -0.0003098500000000, -0.0003136400000000 ] - [ 0.0000303600000000, 0.0005037700000000, 0.0004053700000000 ] - [ -0.0019318800000000, 0.0017208100000000, 0.0029394900000000 ] - [ -0.0000654300000000, -0.0000103200000000, -0.0000131000000000 ] - [ -0.0001774600000000, 0.0041939100000000, 0.0007943900000000 ] - [ -0.0002234900000000, 0.0001278800000000, 0.0005346300000000 ] - [ -0.0005165300000000, 0.0001366100000000, -0.0003460900000000 ] - [ -0.0002762100000000, -0.0004641500000000, -0.0001626700000000 ] - [ -0.0001609500000000, -0.0001177600000000, -0.0000200800000000 ] - [ -0.0002315400000000, -0.0001375200000000, 0.0005629700000000 ] - [ 0.0001454000000000, 0.0002168700000000, 0.0002027400000000 ] - [ -0.0004154100000000, 0.0000273300000000, -0.0004873100000000 ] - [ -0.0000326600000000, -0.0002285000000000, -0.0000672000000000 ] - [ -0.0000618000000000, 0.0000587200000000, -0.0001559300000000 ] - [ 0.0002468400000000, 0.0000228200000000, 0.0001633200000000 ] - [ -0.0005210000000000, 0.0001825900000000, 0.0003617500000000 ] - [ -0.0000368500000000, 0.0000591200000000, -0.0004894400000000 ] - [ -0.0005364800000000, -0.0001813800000000, 0.0003397700000000 ] - [ 0.0003370300000000, -0.0006490600000000, 0.0004066500000000 ] - [ 0.0003393100000000, 0.0006512400000000, 0.0004037400000000 ] - [ 0.0000365000000000, 0.0000429700000000, -0.0002171700000000 ] - [ -0.0000443800000000, -0.0000623700000000, -0.0004840900000000 ] - [ 0.0001740400000000, -0.0001773600000000, 0.0000028800000000 ] - [ 0.0001550100000000, -0.0002102200000000, 0.0002031500000000 ] - [ 0.0001401900000000, 0.0004043200000000, -0.0000470700000000 ] - [ 0.0001175900000000, -0.0000239800000000, -0.0000587400000000 ] - [ -0.0005162500000000, -0.0001362800000000, -0.0003476100000000 ] - [ 0.0001509700000000, 0.0001429600000000, -0.0003500400000000 ] - [ -0.0003301000000000, -0.0000191400000000, -0.0002763500000000 ] - [ 0.0001730700000000, 0.0003334700000000, -0.0002943600000000 ] - [ 0.0001731100000000, 0.0001771700000000, 0.0000053600000000 ] - [ 0.0000364700000000, -0.0000431200000000, -0.0002168600000000 ] - [ 0.0002429600000000, -0.0000205600000000, 0.0001754800000000 ] - [ 0.0000321400000000, -0.0005052100000000, 0.0003662800000000 ] - [ 0.0003195100000000, -0.0000917200000000, -0.0002163100000000 ] - [ 0.0001496700000000, -0.0001434500000000, -0.0003505500000000 ] - [ -0.0000335200000000, 0.0002242500000000, -0.0000615300000000 ] - [ -0.0002771400000000, 0.0004642400000000, -0.0001627500000000 ] - [ 0.0003194000000000, 0.0000911800000000, -0.0002156200000000 ] - [ -0.0001493700000000, 0.0003344900000000, 0.0007609000000000 ] - [ -0.0001920800000000, -0.0004574500000000, 0.0001375000000000 ] - [ -0.0004133800000000, -0.0000292400000000, -0.0004835600000000 ] - [ 0.0001996700000000, -0.0000413900000000, -0.0002638300000000 ] - [ 0.0001271800000000, -0.0004064300000000, -0.0000603600000000 ] - [ -0.0001846700000000, -0.0003409900000000, 0.0007744400000000 ] - [ -0.0001924300000000, 0.0004576600000000, 0.0001387900000000 ] - [ 0.0001225800000000, 0.0000241900000000, -0.0000578400000000 ] - [ 0.0001990900000000, 0.0000408200000000, -0.0002631400000000 ] - [ 0.0001768500000000, -0.0003353600000000, -0.0002923800000000 ] - [ 0.0000502600000000, 0.0004973600000000, 0.0003613600000000 ] - [ -0.0001610500000000, 0.0001176300000000, -0.0000198200000000 ] - [ -0.0000600000000000, -0.0000593700000000, -0.0001581900000000 ] - [ -0.0003308100000000, 0.0000182900000000, -0.0002764900000000 ] - [ -0.0002351500000000, 0.0001377900000000, 0.0005761900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0078352500000000, 0.0146023900000000, 0.0092881800000000 ] - [ -0.0006854400000000, -0.0022085600000000, 0.0003057000000000 ] - [ -0.0000535300000000, -0.0001389800000000, -0.0003029500000000 ] - [ -0.0003889300000000, 0.0002869600000000, 0.0001579500000000 ] - [ -0.0000089300000000, 0.0001180700000000, -0.0002985400000000 ] - [ -0.0003390300000000, -0.0002596100000000, 0.0001666600000000 ] - [ -0.0000088100000000, -0.0001188600000000, -0.0002987400000000 ] - [ -0.0003374700000000, 0.0002583400000000, 0.0001669700000000 ] - [ -0.0000984300000000, 0.0013561300000000, -0.0007980200000000 ] - [ -0.0007092900000000, -0.0041911500000000, -0.0016980300000000 ] - [ -0.0002078300000000, 0.0003005800000000, 0.0000475200000000 ] - [ -0.0000859100000000, -0.0003155800000000, 0.0001734500000000 ] - [ 0.0001299200000000, 0.0001533100000000, -0.0003485700000000 ] - [ 0.0001282300000000, -0.0001533200000000, -0.0003499100000000 ] - [ -0.0000879200000000, 0.0002577700000000, 0.0000902600000000 ] - [ -0.0000590900000000, -0.0002497000000000, 0.0001058000000000 ] - [ -0.0000800200000000, -0.0000214300000000, 0.0000047100000000 ] - [ 0.0007146000000000, -0.0008409800000000, 0.0003514300000000 ] - [ 0.0006353300000000, 0.0008316900000000, 0.0004534700000000 ] - [ -0.0002348100000000, 0.0005784800000000, 0.0008842800000000 ] - [ -0.0001237000000000, 0.0060293200000000, 0.0003648900000000 ] - [ 0.0002358700000000, 0.0021384100000000, 0.0001176800000000 ] - [ 0.0020373600000000, -0.0108044900000000, -0.0038617500000000 ] - [ -0.0002783900000000, -0.0005834100000000, 0.0007857200000000 ] - [ 0.0007196900000000, -0.0021014300000000, 0.0002854800000000 ] - [ 0.0003598500000000, -0.0002592100000000, 0.0000180700000000 ] - [ -0.0000101400000000, 0.0003430900000000, 0.0001400200000000 ] - [ 0.0001195800000000, -0.0003201600000000, -0.0000899400000000 ] - [ 0.0002674700000000, 0.0003602500000000, -0.0001649700000000 ] - [ 0.0006340200000000, 0.0003203100000000, 0.0003009700000000 ] - [ -0.0000607400000000, 0.0054705700000000, 0.0011256800000000 ] - [ 0.0001839100000000, -0.0002759800000000, -0.0004236200000000 ] - [ 0.0000035000000000, -0.0000500400000000, -0.0000507100000000 ] - [ 0.0006371900000000, -0.0008127100000000, 0.0004261300000000 ] - [ 0.0006499000000000, 0.0008068100000000, 0.0004064200000000 ] - [ -0.0002437100000000, 0.0005879900000000, 0.0008459100000000 ] - [ 0.0004370600000000, -0.0000226100000000, -0.0001679200000000 ] - [ 0.0000711900000000, 0.0000815700000000, -0.0002360800000000 ] - [ 0.0002158800000000, -0.0000761500000000, -0.0000978300000000 ] - [ -0.0002899500000000, -0.0005767900000000, 0.0008324600000000 ] - [ 0.0004395400000000, 0.0000204100000000, -0.0001648600000000 ] - [ 0.0003601600000000, -0.0002182100000000, 0.0001881600000000 ] - [ 0.0000429900000000, 0.0003351800000000, -0.0000414700000000 ] - [ 0.0000481600000000, -0.0003454200000000, -0.0000137300000000 ] - [ 0.0002147200000000, 0.0000755200000000, -0.0000978800000000 ] - [ 0.0003682200000000, 0.0002183600000000, 0.0001846600000000 ] - [ 0.0000022500000000, 0.0000489200000000, -0.0000435900000000 ] - [ 0.0000702700000000, -0.0000836600000000, -0.0002309000000000 ] - [ 0.0000609400000000, -0.0036526300000000, -0.0001409500000000 ] - [ -0.0000267200000000, -0.0000246500000000, -0.0001001300000000 ] - [ -0.0003647900000000, -0.0001254100000000, -0.0001387100000000 ] - [ -0.0002609400000000, -0.0000983300000000, 0.0005118200000000 ] - [ 0.0001156700000000, 0.0002422700000000, 0.0002679800000000 ] - [ -0.0004188700000000, -0.0000342900000000, -0.0004031700000000 ] - [ 0.0001815600000000, -0.0004570600000000, -0.0001291200000000 ] - [ -0.0000843400000000, 0.0000424800000000, -0.0000287900000000 ] - [ 0.0002590100000000, 0.0000179200000000, 0.0001364700000000 ] - [ -0.0005674000000000, 0.0001950300000000, 0.0003466600000000 ] - [ -0.0000617300000000, 0.0000512100000000, -0.0005306500000000 ] - [ -0.0004971900000000, -0.0001780100000000, 0.0003522400000000 ] - [ 0.0003217700000000, -0.0006916500000000, 0.0005471100000000 ] - [ 0.0003361900000000, 0.0006528100000000, 0.0003917700000000 ] - [ 0.0000434200000000, 0.0000421500000000, -0.0000801700000000 ] - [ -0.0001879900000000, -0.0000811000000000, -0.0004669400000000 ] - [ -0.0003025100000000, -0.0005405500000000, -0.0003884900000000 ] - [ 0.0000930400000000, -0.0002491700000000, 0.0001913700000000 ] - [ 0.0001218100000000, 0.0003978000000000, -0.0000664400000000 ] - [ 0.0004385200000000, -0.0005987000000000, -0.0003387300000000 ] - [ -0.0004394400000000, -0.0003069800000000, -0.0004652900000000 ] - [ 0.0023288900000000, 0.0030471200000000, -0.0010364100000000 ] - [ -0.0003159100000000, 0.0000110700000000, -0.0003263500000000 ] - [ 0.0002514400000000, 0.0003950700000000, -0.0001454000000000 ] - [ 0.0001258600000000, 0.0001285400000000, 0.0002432700000000 ] - [ -0.0001746800000000, 0.0038093600000000, 0.0000614600000000 ] - [ 0.0002247700000000, -0.0000820100000000, 0.0001286800000000 ] - [ 0.0000218400000000, -0.0005092500000000, 0.0003884800000000 ] - [ 0.0006655000000000, -0.0014977900000000, -0.0005063700000000 ] - [ 0.0003299200000000, -0.0003905100000000, -0.0001223000000000 ] - [ -0.0001265700000000, 0.0001708200000000, -0.0000300600000000 ] - [ 0.0007095200000000, -0.0012973900000000, -0.0026240700000000 ] - [ 0.0003278300000000, 0.0000757200000000, -0.0002094500000000 ] - [ -0.0002016000000000, 0.0003433600000000, 0.0007521500000000 ] - [ -0.0007204800000000, -0.0007981400000000, 0.0000951600000000 ] - [ -0.0004559600000000, -0.0005223500000000, -0.0009879300000000 ] - [ 0.0001087400000000, -0.0002962900000000, -0.0001945100000000 ] - [ 0.0001243900000000, -0.0004074200000000, -0.0000469400000000 ] - [ -0.0001898500000000, -0.0003458400000000, 0.0007704200000000 ] - [ -0.0004391100000000, 0.0007240800000000, 0.0005455600000000 ] - [ 0.0001033200000000, 0.0001391200000000, -0.0000741300000000 ] - [ 0.0026034000000000, -0.0024041500000000, 0.0003023100000000 ] - [ 0.0000377500000000, -0.0003508200000000, -0.0002796900000000 ] - [ 0.0000339100000000, 0.0005111300000000, 0.0003189000000000 ] - [ 0.0016688200000000, -0.0015254600000000, -0.0030447100000000 ] - [ -0.0000651800000000, -0.0001122300000000, -0.0003017300000000 ] - [ -0.0005417200000000, -0.0041102600000000, -0.0012154300000000 ] - [ -0.0002518200000000, 0.0001429600000000, 0.0006103500000000 ] - [ -0.0005275200000000, 0.0001335400000000, -0.0003471600000000 ] - [ -0.0002939500000000, -0.0004740000000000, -0.0001590400000000 ] - [ -0.0001699500000000, -0.0001180100000000, -0.0000210500000000 ] - [ -0.0002438100000000, -0.0001341500000000, 0.0005815300000000 ] - [ 0.0001339600000000, 0.0002221500000000, 0.0002094300000000 ] - [ -0.0004267000000000, 0.0000267200000000, -0.0004878300000000 ] - [ -0.0000503400000000, -0.0002140300000000, -0.0000563500000000 ] - [ -0.0000690100000000, 0.0000617500000000, -0.0001571400000000 ] - [ 0.0002324400000000, 0.0000240800000000, 0.0001760600000000 ] - [ -0.0005369100000000, 0.0001909300000000, 0.0003428000000000 ] - [ -0.0000571100000000, 0.0000572200000000, -0.0004846800000000 ] - [ -0.0005215000000000, -0.0001926800000000, 0.0003649100000000 ] - [ 0.0003282700000000, -0.0006552100000000, 0.0004042200000000 ] - [ 0.0003264200000000, 0.0006518700000000, 0.0004067900000000 ] - [ 0.0000271600000000, 0.0000428500000000, -0.0002148100000000 ] - [ -0.0000493500000000, -0.0000549700000000, -0.0004898800000000 ] - [ 0.0001601000000000, -0.0001832800000000, 0.0000055400000000 ] - [ 0.0001244300000000, -0.0002297300000000, 0.0002092200000000 ] - [ 0.0001205800000000, 0.0003971900000000, -0.0000675500000000 ] - [ 0.0000951300000000, -0.0000240400000000, -0.0000647000000000 ] - [ -0.0005278100000000, -0.0001347900000000, -0.0003461300000000 ] - [ 0.0001282000000000, 0.0001417400000000, -0.0003574400000000 ] - [ -0.0003478500000000, -0.0000116100000000, -0.0002739800000000 ] - [ 0.0001563500000000, 0.0003289900000000, -0.0002991400000000 ] - [ 0.0001608900000000, 0.0001828900000000, 0.0000032500000000 ] - [ 0.0000269500000000, -0.0000433700000000, -0.0002145000000000 ] - [ 0.0002364900000000, -0.0000271200000000, 0.0001638900000000 ] - [ 0.0000322200000000, -0.0005103900000000, 0.0003590100000000 ] - [ 0.0003028400000000, -0.0000858900000000, -0.0002162600000000 ] - [ 0.0001289800000000, -0.0001424400000000, -0.0003566800000000 ] - [ -0.0000488500000000, 0.0002173600000000, -0.0000626700000000 ] - [ -0.0002927200000000, 0.0004724800000000, -0.0001587800000000 ] - [ 0.0003030900000000, 0.0000856400000000, -0.0002171800000000 ] - [ -0.0002175500000000, 0.0003633000000000, 0.0007659900000000 ] - [ -0.0002050600000000, -0.0004616100000000, 0.0001415500000000 ] - [ -0.0004288100000000, -0.0000254900000000, -0.0004916100000000 ] - [ 0.0001860200000000, -0.0000466400000000, -0.0002599100000000 ] - [ 0.0001332800000000, -0.0003963900000000, -0.0000538300000000 ] - [ -0.0001825000000000, -0.0003578600000000, 0.0007524800000000 ] - [ -0.0002048800000000, 0.0004603600000000, 0.0001401100000000 ] - [ 0.0000909300000000, 0.0000232600000000, -0.0000659100000000 ] - [ 0.0001863900000000, 0.0000463000000000, -0.0002610700000000 ] - [ 0.0001527900000000, -0.0003281600000000, -0.0003006500000000 ] - [ 0.0000137700000000, 0.0005175600000000, 0.0003633800000000 ] - [ -0.0001703800000000, 0.0001175900000000, -0.0000218300000000 ] - [ -0.0000707800000000, -0.0000620500000000, -0.0001547200000000 ] - [ -0.0003471200000000, 0.0000114200000000, -0.0002738200000000 ] - [ -0.0002397900000000, 0.0001331400000000, 0.0005684000000000 ]- atom: 1 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0076273600000000, -0.0095647300000000, -0.0297138600000000 ] - [ -0.0016809000000000, -0.0004866500000000, -0.0015645300000000 ] - [ 0.0000670900000000, -0.0001217300000000, 0.0008172800000000 ] - [ -0.0001129900000000, 0.0002095800000000, 0.0012564600000000 ] - [ -0.0000131100000000, 0.0001181900000000, -0.0003013500000000 ] - [ -0.0003408700000000, -0.0002592900000000, 0.0001629900000000 ] - [ -0.0000129500000000, -0.0001186600000000, -0.0002959600000000 ] - [ -0.0003417500000000, 0.0002583500000000, 0.0001703400000000 ] - [ -0.0029194000000000, 0.0000164800000000, 0.0063225200000000 ] - [ 0.0056694400000000, 0.0017092000000000, 0.0011814500000000 ] - [ -0.0023914900000000, 0.0005189000000000, -0.0007146800000000 ] - [ 0.0013045200000000, -0.0003892200000000, 0.0011133000000000 ] - [ 0.0001256600000000, 0.0001570100000000, -0.0003379900000000 ] - [ 0.0001093900000000, -0.0001480600000000, -0.0003620100000000 ] - [ -0.0000367600000000, 0.0002455900000000, 0.0000871500000000 ] - [ -0.0001343600000000, -0.0002608300000000, 0.0001226600000000 ] - [ -0.0012069500000000, -0.0004130000000000, 0.0015319700000000 ] - [ 0.0011225100000000, -0.0010242900000000, -0.0006372200000000 ] - [ 0.0003530500000000, 0.0007639600000000, 0.0012829300000000 ] - [ -0.0005007700000000, 0.0004839400000000, 0.0007269700000000 ] - [ -0.0085424500000000, -0.0005694600000000, 0.0131442700000000 ] - [ 0.0034383900000000, -0.0015518000000000, -0.0022266000000000 ] - [ -0.0060524900000000, 0.0013355500000000, -0.0074358000000000 ] - [ -0.0001034100000000, -0.0006392300000000, 0.0009341500000000 ] - [ 0.0032639500000000, -0.0000340100000000, 0.0031758200000000 ] - [ 0.0011006700000000, -0.0001287100000000, 0.0009276400000000 ] - [ 0.0002237400000000, 0.0002575600000000, -0.0006046000000000 ] - [ -0.0001187800000000, -0.0004307400000000, 0.0004044400000000 ] - [ 0.0018888700000000, -0.0007909400000000, 0.0033177500000000 ] - [ -0.0009907600000000, 0.0003528800000000, -0.0005658800000000 ] - [ 0.0056049000000000, -0.0013033900000000, -0.0012113500000000 ] - [ -0.0009643700000000, 0.0000085300000000, 0.0015544100000000 ] - [ 0.0000012200000000, -0.0000483200000000, -0.0000374100000000 ] - [ 0.0006190600000000, -0.0007979400000000, 0.0003433700000000 ] - [ 0.0006518500000000, 0.0008157800000000, 0.0004784100000000 ] - [ 0.0001764700000000, 0.0008213100000000, 0.0008926000000000 ] - [ 0.0004255900000000, -0.0000239000000000, -0.0001667500000000 ] - [ 0.0000592500000000, 0.0000794300000000, -0.0002887600000000 ] - [ 0.0002133700000000, -0.0000812500000000, -0.0001061500000000 ] - [ -0.0007082100000000, -0.0003402200000000, 0.0007905800000000 ] - [ 0.0004178100000000, 0.0000233100000000, -0.0001631100000000 ] - [ 0.0002721100000000, -0.0002079500000000, 0.0002372000000000 ] - [ -0.0000151200000000, 0.0002673100000000, -0.0003009500000000 ] - [ 0.0000766700000000, -0.0004015000000000, 0.0002390600000000 ] - [ 0.0001971600000000, 0.0000754100000000, -0.0000934800000000 ] - [ 0.0004397100000000, 0.0002370800000000, 0.0001361300000000 ] - [ -0.0000182400000000, 0.0000512700000000, -0.0000615500000000 ] - [ 0.0000579400000000, -0.0000884600000000, -0.0001797800000000 ] - [ -0.0003048700000000, -0.0003458700000000, 0.0021567800000000 ] - [ -0.0005989300000000, -0.0007556800000000, -0.0013140000000000 ] - [ -0.0009368100000000, -0.0005646300000000, -0.0013130800000000 ] - [ -0.0001740900000000, -0.0002892100000000, 0.0008552500000000 ] - [ -0.0000874200000000, 0.0003017500000000, 0.0001991700000000 ] - [ 0.0007664700000000, -0.0002438000000000, -0.0009721200000000 ] - [ -0.0005475400000000, 0.0001895000000000, 0.0002187700000000 ] - [ -0.0000789200000000, 0.0001798400000000, -0.0007406600000000 ] - [ 0.0008008900000000, -0.0000712700000000, -0.0004557000000000 ] - [ -0.0004813500000000, 0.0002011300000000, 0.0003081500000000 ] - [ 0.0000119500000000, -0.0000200600000000, -0.0012347400000000 ] - [ -0.0006168700000000, -0.0001857500000000, 0.0003943700000000 ] - [ 0.0004564000000000, -0.0002158900000000, 0.0013629100000000 ] - [ 0.0002917300000000, 0.0009438800000000, -0.0002706300000000 ] - [ 0.0004344500000000, -0.0000689300000000, -0.0026101500000000 ] - [ -0.0003214200000000, -0.0000414700000000, 0.0005896200000000 ] - [ 0.0009852000000000, 0.0014021300000000, 0.0025426600000000 ] - [ 0.0004911600000000, -0.0000759600000000, 0.0001845700000000 ] - [ 0.0001709100000000, 0.0004087600000000, -0.0000546500000000 ] - [ 0.0037489500000000, -0.0000555300000000, 0.0004030600000000 ] - [ -0.0004458900000000, -0.0000404500000000, -0.0015143200000000 ] - [ 0.0023669800000000, 0.0028400300000000, -0.0007999900000000 ] - [ -0.0004533600000000, 0.0000808900000000, -0.0015541300000000 ] - [ -0.0008591100000000, 0.0002796100000000, -0.0006939600000000 ] - [ -0.0001589800000000, 0.0008890900000000, -0.0013792800000000 ] - [ -0.0012254500000000, -0.0005909200000000, 0.0061362600000000 ] - [ -0.0006418000000000, -0.0003049400000000, 0.0007062100000000 ] - [ 0.0000108200000000, -0.0005177300000000, 0.0002735800000000 ] - [ -0.0018165000000000, 0.0002869300000000, 0.0019853100000000 ] - [ -0.0016577600000000, 0.0003967000000000, -0.0024378000000000 ] - [ 0.0002305200000000, 0.0003814800000000, -0.0002589400000000 ] - [ 0.0004318000000000, 0.0015909600000000, -0.0023777500000000 ] - [ 0.0007235600000000, 0.0002659200000000, -0.0010350700000000 ] - [ -0.0001237200000000, 0.0003727200000000, 0.0007824900000000 ] - [ -0.0014122100000000, -0.0007923900000000, 0.0002496300000000 ] - [ -0.0012133100000000, 0.0006283100000000, -0.0014648400000000 ] - [ 0.0012725000000000, 0.0009116900000000, -0.0017686400000000 ] - [ 0.0000967800000000, -0.0003951300000000, -0.0000549100000000 ] - [ -0.0002364600000000, -0.0003270900000000, 0.0007385200000000 ] - [ 0.0010183100000000, -0.0002391800000000, -0.0009819600000000 ] - [ -0.0011946600000000, 0.0000945500000000, -0.0013582800000000 ] - [ -0.0021759300000000, 0.0000958800000000, 0.0010487600000000 ] - [ 0.0015477100000000, -0.0004412100000000, -0.0003682500000000 ] - [ 0.0000457400000000, 0.0005044000000000, 0.0004781900000000 ] - [ -0.0029907200000000, 0.0020743200000000, 0.0086312700000000 ] - [ -0.0000097700000000, 0.0000881300000000, 0.0005738100000000 ] - [ -0.0010034700000000, 0.0029961900000000, 0.0028534900000000 ] - [ -0.0002738500000000, 0.0000315000000000, 0.0003563100000000 ] - [ -0.0005212300000000, 0.0001361800000000, -0.0003441800000000 ] - [ -0.0002852800000000, -0.0004684700000000, -0.0001620300000000 ] - [ -0.0001658000000000, -0.0001189800000000, -0.0000219800000000 ] - [ -0.0002746800000000, -0.0001560800000000, 0.0007223900000000 ] - [ 0.0002387200000000, 0.0001429400000000, 0.0002005500000000 ] - [ -0.0004318300000000, 0.0000238900000000, -0.0004911900000000 ] - [ -0.0000347900000000, -0.0001975100000000, -0.0000117200000000 ] - [ -0.0000523800000000, 0.0000707800000000, -0.0001910700000000 ] - [ 0.0002351000000000, 0.0000305000000000, 0.0001495400000000 ] - [ -0.0006916400000000, 0.0001788100000000, 0.0001496300000000 ] - [ -0.0000514900000000, 0.0000477400000000, -0.0005036200000000 ] - [ -0.0003004800000000, -0.0002139800000000, 0.0005944100000000 ] - [ 0.0003316000000000, -0.0006419600000000, 0.0004286700000000 ] - [ 0.0003288500000000, 0.0006628000000000, 0.0003846200000000 ] - [ 0.0000344400000000, 0.0000423600000000, -0.0002211400000000 ] - [ -0.0000520900000000, -0.0000691500000000, -0.0004658700000000 ] - [ 0.0001585800000000, -0.0001781500000000, 0.0000359500000000 ] - [ 0.0000226100000000, -0.0003098700000000, 0.0002192600000000 ] - [ 0.0000200400000000, 0.0004274100000000, -0.0002150200000000 ] - [ 0.0000947300000000, -0.0000218000000000, -0.0000587600000000 ] - [ -0.0005254300000000, -0.0001329000000000, -0.0003489700000000 ] - [ 0.0001343100000000, 0.0001434600000000, -0.0003538900000000 ] - [ -0.0003387000000000, -0.0000155200000000, -0.0002772100000000 ] - [ 0.0001953300000000, 0.0003452900000000, -0.0002840800000000 ] - [ 0.0001706900000000, 0.0001820600000000, -0.0000236100000000 ] - [ 0.0000291500000000, -0.0000449500000000, -0.0002072000000000 ] - [ 0.0002373300000000, -0.0000193300000000, 0.0001886300000000 ] - [ 0.0001205900000000, -0.0005418400000000, 0.0002191600000000 ] - [ 0.0003075700000000, -0.0000857200000000, -0.0002043000000000 ] - [ 0.0001398400000000, -0.0001406600000000, -0.0003557100000000 ] - [ -0.0000425500000000, 0.0002438500000000, -0.0001171300000000 ] - [ -0.0002877700000000, 0.0004698200000000, -0.0001584600000000 ] - [ 0.0003088000000000, 0.0000899700000000, -0.0002233900000000 ] - [ -0.0007257000000000, 0.0002034700000000, 0.0007263700000000 ] - [ -0.0002038200000000, -0.0004673700000000, 0.0001500400000000 ] - [ -0.0004166000000000, -0.0000280000000000, -0.0004848400000000 ] - [ 0.0001888300000000, -0.0000455500000000, -0.0002620800000000 ] - [ 0.0002594900000000, -0.0003363900000000, 0.0000901900000000 ] - [ 0.0003123300000000, -0.0005218900000000, 0.0007002800000000 ] - [ -0.0001995700000000, 0.0004524000000000, 0.0001249100000000 ] - [ 0.0001061400000000, 0.0000235000000000, -0.0000643400000000 ] - [ 0.0001930700000000, 0.0000429100000000, -0.0002607000000000 ] - [ 0.0001270600000000, -0.0003192000000000, -0.0003107100000000 ] - [ -0.0000671200000000, 0.0004853000000000, 0.0005204100000000 ] - [ -0.0001683100000000, 0.0001168800000000, -0.0000221500000000 ] - [ -0.0000812400000000, -0.0000531200000000, -0.0001248500000000 ] - [ -0.0003409900000000, 0.0000142600000000, -0.0002721900000000 ] - [ -0.0001990200000000, 0.0001162500000000, 0.0004400300000000 ]- atom: 1 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0077411500000000, 0.0098491400000000, 0.0289612000000000 ] - [ 0.0009995500000000, -0.0000325000000000, 0.0018845600000000 ] - [ -0.0000956100000000, -0.0001157500000000, -0.0014147400000000 ] - [ -0.0005750800000000, 0.0003083200000000, -0.0009233500000000 ] - [ -0.0000164300000000, 0.0001183700000000, -0.0002962900000000 ] - [ -0.0003451900000000, -0.0002596000000000, 0.0001691700000000 ] - [ -0.0000165200000000, -0.0001188000000000, -0.0003017600000000 ] - [ -0.0003440900000000, 0.0002593100000000, 0.0001619400000000 ] - [ 0.0031759700000000, 0.0002861200000000, -0.0070623700000000 ] - [ -0.0054198400000000, -0.0019926000000000, -0.0018880200000000 ] - [ 0.0021977100000000, -0.0000083900000000, 0.0009116500000000 ] - [ -0.0014908300000000, -0.0001217300000000, -0.0009066800000000 ] - [ 0.0000959000000000, 0.0001467500000000, -0.0003628900000000 ] - [ 0.0001119700000000, -0.0001557500000000, -0.0003390000000000 ] - [ -0.0001508100000000, 0.0002629500000000, 0.0001138400000000 ] - [ -0.0000527700000000, -0.0002488000000000, 0.0000785800000000 ] - [ 0.0011772600000000, 0.0003116800000000, -0.0016282700000000 ] - [ 0.0001401800000000, -0.0005920800000000, 0.0014611100000000 ] - [ 0.0009047000000000, 0.0008514600000000, -0.0004543200000000 ] - [ -0.0000679500000000, 0.0006647700000000, 0.0009403100000000 ] - [ 0.0092722500000000, 0.0005349900000000, -0.0133223400000000 ] - [ -0.0033345700000000, 0.0017305400000000, 0.0017456100000000 ] - [ 0.0064408200000000, -0.0014703300000000, 0.0072921300000000 ] - [ -0.0004649600000000, -0.0005100200000000, 0.0007314800000000 ] - [ -0.0024612600000000, 0.0000871100000000, -0.0034940800000000 ] - [ -0.0004015800000000, -0.0003123500000000, -0.0005508800000000 ] - [ -0.0001557800000000, 0.0004369100000000, 0.0005600500000000 ] - [ 0.0001888000000000, -0.0002634300000000, -0.0004492700000000 ] - [ -0.0014744400000000, 0.0009444600000000, -0.0035113100000000 ] - [ 0.0016883800000000, 0.0000860200000000, 0.0009478200000000 ] - [ -0.0056169900000000, 0.0014117000000000, 0.0011414800000000 ] - [ 0.0010762200000000, -0.0001727800000000, -0.0020181000000000 ] - [ -0.0000254600000000, -0.0000525100000000, -0.0000609400000000 ] - [ 0.0006405100000000, -0.0008178300000000, 0.0004831200000000 ] - [ 0.0006077700000000, 0.0007993100000000, 0.0003484700000000 ] - [ -0.0007436900000000, 0.0003281000000000, 0.0007747000000000 ] - [ 0.0004017500000000, -0.0000261000000000, -0.0001631100000000 ] - [ 0.0000493200000000, 0.0000876500000000, -0.0001791200000000 ] - [ 0.0001872400000000, -0.0000790300000000, -0.0000955400000000 ] - [ 0.0001379600000000, -0.0008080000000000, 0.0008753100000000 ] - [ 0.0004096200000000, 0.0000263300000000, -0.0001664600000000 ] - [ 0.0004247400000000, -0.0002332900000000, 0.0001408100000000 ] - [ 0.0000844800000000, 0.0004264000000000, 0.0002547200000000 ] - [ -0.0000074400000000, -0.0002929500000000, -0.0002834300000000 ] - [ 0.0002036100000000, 0.0000842700000000, -0.0001079100000000 ] - [ 0.0002575400000000, 0.0002039100000000, 0.0002414900000000 ] - [ -0.0000058700000000, 0.0000492200000000, -0.0000371700000000 ] - [ 0.0000505900000000, -0.0000791800000000, -0.0002878800000000 ] - [ -0.0007642000000000, 0.0006196300000000, -0.0028542400000000 ] - [ 0.0000346900000000, -0.0001719600000000, 0.0009933000000000 ] - [ 0.0006039600000000, 0.0003302000000000, 0.0012672400000000 ] - [ -0.0003000500000000, 0.0000148400000000, 0.0002933300000000 ] - [ 0.0003619900000000, 0.0001406300000000, 0.0002177400000000 ] - [ -0.0016084200000000, 0.0002957900000000, -0.0000017800000000 ] - [ 0.0004704000000000, -0.0006367300000000, -0.0003453700000000 ] - [ -0.0000519400000000, -0.0000567100000000, 0.0004233000000000 ] - [ -0.0003226100000000, 0.0001205300000000, 0.0007906600000000 ] - [ -0.0005757900000000, 0.0001770500000000, 0.0003957300000000 ] - [ -0.0001075000000000, 0.0001368800000000, 0.0002617900000000 ] - [ -0.0004396300000000, -0.0001919600000000, 0.0003100300000000 ] - [ 0.0002075200000000, -0.0010874600000000, -0.0005463600000000 ] - [ 0.0003733200000000, 0.0003605000000000, 0.0010820500000000 ] - [ -0.0003696800000000, 0.0001563500000000, 0.0021801200000000 ] - [ 0.0002233700000000, -0.0000760500000000, -0.0015569000000000 ] - [ -0.0006489600000000, -0.0017623200000000, -0.0025369400000000 ] - [ -0.0002157200000000, -0.0003659700000000, 0.0002309900000000 ] - [ 0.0000917400000000, 0.0003927600000000, -0.0000560300000000 ] - [ -0.0035267400000000, 0.0000095400000000, -0.0005210700000000 ] - [ -0.0005953900000000, -0.0002300800000000, 0.0008177400000000 ] - [ -0.0020966200000000, -0.0025727100000000, 0.0000592400000000 ] - [ -0.0002176500000000, -0.0001202600000000, 0.0010046400000000 ] - [ 0.0011866800000000, 0.0003868500000000, 0.0001033400000000 ] - [ 0.0004905400000000, -0.0005286600000000, 0.0013864700000000 ] - [ 0.0013092900000000, 0.0005028300000000, -0.0065674600000000 ] - [ 0.0011151400000000, 0.0002534300000000, -0.0003692400000000 ] - [ 0.0000537100000000, -0.0004988600000000, 0.0004486100000000 ] - [ 0.0024660500000000, -0.0004578600000000, -0.0023895400000000 ] - [ 0.0019320400000000, -0.0006810400000000, 0.0017203200000000 ] - [ -0.0003105800000000, 0.0000624600000000, 0.0001316400000000 ] - [ -0.0010073700000000, -0.0006909000000000, 0.0021272000000000 ] - [ -0.0001052800000000, -0.0000905900000000, 0.0006061800000000 ] - [ -0.0002432900000000, 0.0003254500000000, 0.0007380500000000 ] - [ 0.0010032600000000, -0.0001304800000000, 0.0000317700000000 ] - [ 0.0003678700000000, -0.0006774300000000, 0.0004781300000000 ] - [ -0.0008835300000000, -0.0009961000000000, 0.0012421400000000 ] - [ 0.0001658400000000, -0.0004068700000000, -0.0000553300000000 ] - [ -0.0001305300000000, -0.0003714700000000, 0.0007821100000000 ] - [ -0.0014153400000000, 0.0011554300000000, 0.0012490400000000 ] - [ 0.0014097500000000, -0.0000486500000000, 0.0012347700000000 ] - [ 0.0025369200000000, -0.0000301400000000, -0.0016138500000000 ] - [ -0.0012213700000000, -0.0002248000000000, -0.0002260900000000 ] - [ 0.0000191100000000, 0.0005120900000000, 0.0002428400000000 ] - [ 0.0029450900000000, -0.0020672000000000, -0.0089936800000000 ] - [ -0.0001204200000000, -0.0002114800000000, -0.0008924200000000 ] - [ 0.0002104400000000, -0.0027719200000000, -0.0030923800000000 ] - [ -0.0002009200000000, 0.0002423900000000, 0.0007924900000000 ] - [ -0.0005222000000000, 0.0001326000000000, -0.0003499000000000 ] - [ -0.0002826500000000, -0.0004677100000000, -0.0001596200000000 ] - [ -0.0001643600000000, -0.0001164900000000, -0.0000222600000000 ] - [ -0.0001999600000000, -0.0001184300000000, 0.0004270100000000 ] - [ 0.0000371500000000, 0.0002988200000000, 0.0002155000000000 ] - [ -0.0004128400000000, 0.0000289000000000, -0.0004829400000000 ] - [ -0.0000448100000000, -0.0002473800000000, -0.0001149300000000 ] - [ -0.0000779800000000, 0.0000525000000000, -0.0001268100000000 ] - [ 0.0002413500000000, 0.0000195500000000, 0.0001866500000000 ] - [ -0.0003656300000000, 0.0001992200000000, 0.0005536700000000 ] - [ -0.0000448700000000, 0.0000692100000000, -0.0004673300000000 ] - [ -0.0007559700000000, -0.0001640500000000, 0.0001106500000000 ] - [ 0.0003323900000000, -0.0006624800000000, 0.0003842300000000 ] - [ 0.0003352000000000, 0.0006413900000000, 0.0004279400000000 ] - [ 0.0000326200000000, 0.0000447200000000, -0.0002083900000000 ] - [ -0.0000438800000000, -0.0000480700000000, -0.0005049900000000 ] - [ 0.0001754000000000, -0.0001800900000000, -0.0000251500000000 ] - [ 0.0002526400000000, -0.0001326300000000, 0.0001969100000000 ] - [ 0.0002424800000000, 0.0003740200000000, 0.0001037100000000 ] - [ 0.0001155000000000, -0.0000236900000000, -0.0000619400000000 ] - [ -0.0005180100000000, -0.0001360200000000, -0.0003456600000000 ] - [ 0.0001474700000000, 0.0001408800000000, -0.0003540500000000 ] - [ -0.0003350200000000, -0.0000163000000000, -0.0002723700000000 ] - [ 0.0001346700000000, 0.0003209400000000, -0.0003088300000000 ] - [ 0.0001632300000000, 0.0001761600000000, 0.0000345200000000 ] - [ 0.0000376800000000, -0.0000421800000000, -0.0002218500000000 ] - [ 0.0002393000000000, -0.0000308800000000, 0.0001474600000000 ] - [ -0.0000554100000000, -0.0004747800000000, 0.0005025800000000 ] - [ 0.0003144300000000, -0.0000919500000000, -0.0002235300000000 ] - [ 0.0001412700000000, -0.0001442000000000, -0.0003519800000000 ] - [ -0.0000366600000000, 0.0002008300000000, -0.0000104000000000 ] - [ -0.0002801700000000, 0.0004659500000000, -0.0001631500000000 ] - [ 0.0003133200000000, 0.0000874600000000, -0.0002046100000000 ] - [ 0.0003571000000000, 0.0004943300000000, 0.0007937000000000 ] - [ -0.0001952200000000, -0.0004512300000000, 0.0001240300000000 ] - [ -0.0004281300000000, -0.0000247600000000, -0.0004892800000000 ] - [ 0.0001971800000000, -0.0000416600000000, -0.0002618300000000 ] - [ 0.0000032500000000, -0.0004656000000000, -0.0001997400000000 ] - [ -0.0006778300000000, -0.0001772100000000, 0.0008203400000000 ] - [ -0.0001997100000000, 0.0004658100000000, 0.0001489300000000 ] - [ 0.0001047600000000, 0.0000220200000000, -0.0000566500000000 ] - [ 0.0001927800000000, 0.0000439100000000, -0.0002636200000000 ] - [ 0.0002028700000000, -0.0003473800000000, -0.0002818700000000 ] - [ 0.0001310900000000, 0.0005315200000000, 0.0002013100000000 ] - [ -0.0001623100000000, 0.0001185800000000, -0.0000226700000000 ] - [ -0.0000492500000000, -0.0000703200000000, -0.0001925700000000 ] - [ -0.0003328400000000, 0.0000173200000000, -0.0002773500000000 ] - [ -0.0002751800000000, 0.0001579000000000, 0.0007085100000000 ]- atom: 2 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0005722000000000, 0.0004484600000000, -0.0016320500000000 ] - [ -0.0219623200000000, 0.0011184000000000, -0.0042091500000000 ] - [ -0.0005669000000000, -0.0001645800000000, -0.0000759700000000 ] - [ -0.0009154300000000, 0.0003126500000000, 0.0000918300000000 ] - [ 0.0003032500000000, 0.0001148100000000, -0.0002917000000000 ] - [ -0.0000924200000000, -0.0002412700000000, 0.0002074000000000 ] - [ 0.0002919300000000, -0.0001135200000000, -0.0002930100000000 ] - [ -0.0000953900000000, 0.0002410500000000, 0.0002079800000000 ] - [ -0.0008274900000000, 0.0001831200000000, -0.0009922600000000 ] - [ 0.0051561900000000, -0.0009235200000000, 0.0023080600000000 ] - [ -0.0003755100000000, 0.0010358600000000, -0.0041718100000000 ] - [ -0.0019487300000000, 0.0002408500000000, 0.0017087800000000 ] - [ 0.0011135300000000, 0.0002305700000000, -0.0002921000000000 ] - [ 0.0011242300000000, -0.0002209100000000, -0.0003543600000000 ] - [ 0.0009737300000000, 0.0001950300000000, 0.0001180100000000 ] - [ 0.0009481200000000, -0.0002050600000000, 0.0000957800000000 ] - [ -0.0034980700000000, -0.0012289700000000, -0.0024895800000000 ] - [ 0.0094633200000000, -0.0024870900000000, 0.0065580900000000 ] - [ -0.0000686100000000, 0.0005785200000000, -0.0001019400000000 ] - [ 0.0005609700000000, 0.0007808300000000, 0.0008009200000000 ] - [ -0.0113654100000000, 0.0008325200000000, 0.0061331800000000 ] - [ 0.0014851300000000, -0.0001580800000000, -0.0001361500000000 ] - [ 0.0011890800000000, -0.0004502900000000, -0.0031643400000000 ] - [ 0.0005710400000000, -0.0007813100000000, 0.0009085400000000 ] - [ -0.0029037400000000, 0.0004012000000000, -0.0010983900000000 ] - [ 0.0012731600000000, -0.0001444500000000, 0.0003317400000000 ] - [ 0.0009906400000000, 0.0002933800000000, -0.0002585100000000 ] - [ 0.0008099100000000, -0.0003414700000000, -0.0001394200000000 ] - [ 0.0006002000000000, 0.0001302400000000, 0.0010113700000000 ] - [ 0.0011407200000000, 0.0002670900000000, -0.0002809500000000 ] - [ -0.0054009300000000, 0.0007067300000000, 0.0028812000000000 ] - [ 0.0004656000000000, -0.0002045100000000, -0.0002882300000000 ] - [ 0.0007432800000000, -0.0000004700000000, 0.0000072200000000 ] - [ 0.0013906500000000, -0.0008681100000000, 0.0005023400000000 ] - [ 0.0013689200000000, 0.0008730200000000, 0.0005157000000000 ] - [ 0.0001632000000000, 0.0006494100000000, 0.0020145600000000 ] - [ 0.0016803300000000, 0.0001370100000000, -0.0002258700000000 ] - [ 0.0010207600000000, -0.0000831200000000, -0.0002862100000000 ] - [ 0.0010347700000000, 0.0001521300000000, 0.0000777500000000 ] - [ 0.0004217600000000, -0.0003138100000000, -0.0002908900000000 ] - [ 0.0016840000000000, -0.0001393200000000, -0.0002135000000000 ] - [ 0.0011228400000000, -0.0002110600000000, -0.0000997200000000 ] - [ 0.0014301400000000, 0.0002348300000000, -0.0003059500000000 ] - [ 0.0004423200000000, -0.0003068900000000, -0.0000778100000000 ] - [ 0.0009760100000000, -0.0001437800000000, 0.0000087600000000 ] - [ 0.0012905000000000, 0.0001854700000000, 0.0002444400000000 ] - [ 0.0007488300000000, 0.0000007900000000, 0.0000019800000000 ] - [ 0.0007804800000000, -0.0000215800000000, -0.0001732200000000 ] - [ 0.0027682000000000, -0.0015751300000000, -0.0025609000000000 ] - [ 0.0006663700000000, 0.0000135200000000, -0.0002730200000000 ] - [ -0.0004738000000000, -0.0004331300000000, -0.0008668800000000 ] - [ -0.0005091100000000, -0.0000440800000000, 0.0006342200000000 ] - [ -0.0003765200000000, 0.0004878300000000, 0.0003210700000000 ] - [ 0.0026682400000000, 0.0005925700000000, 0.0008264600000000 ] - [ -0.0006665900000000, 0.0001500900000000, 0.0001177200000000 ] - [ -0.0002676100000000, 0.0001619100000000, -0.0002705700000000 ] - [ 0.0005425700000000, -0.0002025700000000, 0.0009103800000000 ] - [ -0.0010607700000000, 0.0003256800000000, 0.0002121100000000 ] - [ 0.0006043900000000, 0.0002571300000000, -0.0004802300000000 ] - [ -0.0011358800000000, -0.0003462000000000, 0.0001944300000000 ] - [ -0.0016829400000000, 0.0014986700000000, 0.0000847300000000 ] - [ 0.0007239500000000, 0.0005580800000000, 0.0004836300000000 ] - [ 0.0004077300000000, 0.0000569900000000, -0.0008107700000000 ] - [ 0.0013465400000000, 0.0005805400000000, -0.0011722300000000 ] - [ -0.0003739400000000, -0.0003197100000000, 0.0002766100000000 ] - [ -0.0003561200000000, -0.0005190700000000, 0.0004190800000000 ] - [ -0.0001719800000000, 0.0004861900000000, 0.0000091700000000 ] - [ 0.0077863300000000, -0.0011243400000000, 0.0015571900000000 ] - [ 0.0011557400000000, -0.0007482700000000, -0.0003822700000000 ] - [ 0.0011828200000000, 0.0005628900000000, 0.0008332200000000 ] - [ 0.0006426100000000, -0.0003622000000000, -0.0002182600000000 ] - [ -0.0005419300000000, 0.0001855000000000, -0.0006910100000000 ] - [ -0.0000780700000000, 0.0003561600000000, -0.0001051300000000 ] - [ -0.0024664200000000, -0.0000175000000000, 0.0015784800000000 ] - [ 0.0006953500000000, 0.0003269200000000, -0.0027826600000000 ] - [ -0.0003101000000000, -0.0006587800000000, 0.0003817500000000 ] - [ -0.0006621100000000, 0.0003195900000000, -0.0002312300000000 ] - [ 0.0001440300000000, 0.0001963200000000, -0.0013054800000000 ] - [ -0.0004406500000000, 0.0000201800000000, 0.0000919100000000 ] - [ 0.0036824800000000, -0.0005775300000000, -0.0021031900000000 ] - [ 0.0003377500000000, 0.0001019800000000, -0.0002895000000000 ] - [ -0.0006650200000000, 0.0001402900000000, 0.0006977800000000 ] - [ -0.0007393700000000, -0.0006310500000000, -0.0000673600000000 ] - [ 0.0010726100000000, -0.0003603100000000, 0.0002947500000000 ] - [ 0.0025878100000000, 0.0016259800000000, -0.0014229400000000 ] - [ -0.0001697300000000, -0.0004719500000000, -0.0000136900000000 ] - [ -0.0006662000000000, -0.0001421000000000, 0.0006784700000000 ] - [ -0.0003606800000000, 0.0004462900000000, 0.0005025100000000 ] - [ 0.0020073500000000, 0.0000132800000000, 0.0004421100000000 ] - [ 0.0031383700000000, -0.0003591400000000, -0.0000206900000000 ] - [ -0.0001098700000000, -0.0001542300000000, -0.0002368800000000 ] - [ -0.0003250800000000, 0.0006585700000000, 0.0004427000000000 ] - [ -0.0000191300000000, -0.0004486600000000, 0.0008790500000000 ] - [ -0.0003584000000000, -0.0001110300000000, 0.0000483600000000 ] - [ 0.0064914000000000, -0.0015449300000000, -0.0005905900000000 ] - [ -0.0004787500000000, 0.0000221900000000, 0.0005563900000000 ] - [ -0.0008381500000000, 0.0000755400000000, -0.0003326100000000 ] - [ -0.0007423700000000, -0.0007181600000000, -0.0000589100000000 ] - [ -0.0004091400000000, -0.0001190700000000, -0.0000222500000000 ] - [ -0.0005907800000000, 0.0000547200000000, 0.0005013300000000 ] - [ -0.0003279500000000, 0.0004435000000000, 0.0004659600000000 ] - [ -0.0007603200000000, -0.0000187100000000, -0.0006109400000000 ] - [ -0.0007509400000000, 0.0001977800000000, 0.0002365000000000 ] - [ -0.0002624900000000, 0.0000940500000000, -0.0000576000000000 ] - [ -0.0000406000000000, 0.0000903500000000, 0.0002164400000000 ] - [ -0.0005564800000000, 0.0003120100000000, 0.0001164000000000 ] - [ -0.0004185000000000, -0.0000595000000000, -0.0005053200000000 ] - [ -0.0016079200000000, -0.0004362800000000, 0.0005875400000000 ] - [ 0.0000433100000000, -0.0007315200000000, 0.0003969400000000 ] - [ 0.0000465300000000, 0.0007326700000000, 0.0003964700000000 ] - [ -0.0002295100000000, 0.0000375200000000, -0.0001727300000000 ] - [ -0.0004281900000000, 0.0000582900000000, -0.0005016800000000 ] - [ -0.0002132400000000, -0.0003489100000000, -0.0000045200000000 ] - [ -0.0003662200000000, -0.0005014900000000, 0.0002526900000000 ] - [ 0.0002754500000000, 0.0001239900000000, -0.0005533000000000 ] - [ -0.0006161000000000, -0.0000300600000000, -0.0002683000000000 ] - [ -0.0008345900000000, -0.0000753600000000, -0.0003336000000000 ] - [ -0.0004589700000000, 0.0001106300000000, -0.0005403900000000 ] - [ -0.0008172500000000, 0.0001831400000000, -0.0002151300000000 ] - [ -0.0003247700000000, 0.0002005900000000, -0.0004090400000000 ] - [ -0.0001552900000000, 0.0003420300000000, -0.0000086700000000 ] - [ -0.0002403700000000, -0.0000367100000000, -0.0001742100000000 ] - [ -0.0000463400000000, -0.0000888700000000, 0.0002284200000000 ] - [ 0.0000894100000000, -0.0002813100000000, 0.0009194300000000 ] - [ -0.0001653200000000, 0.0000765200000000, -0.0002391900000000 ] - [ -0.0004367000000000, -0.0001167800000000, -0.0005218600000000 ] - [ -0.0003858000000000, 0.0000477400000000, -0.0000288200000000 ] - [ -0.0007470000000000, 0.0007198000000000, -0.0000531400000000 ] - [ -0.0000953900000000, -0.0000490000000000, -0.0002584600000000 ] - [ -0.0001769600000000, 0.0000942100000000, -0.0000763500000000 ] - [ -0.0005657200000000, -0.0005596600000000, 0.0002616300000000 ] - [ -0.0007596700000000, 0.0000178200000000, -0.0006084800000000 ] - [ -0.0001649000000000, -0.0001961800000000, -0.0001770900000000 ] - [ -0.0006342000000000, -0.0007412600000000, 0.0007182900000000 ] - [ -0.0000823000000000, -0.0004576800000000, 0.0012592600000000 ] - [ -0.0005111700000000, 0.0005358500000000, 0.0002002900000000 ] - [ -0.0006111900000000, 0.0000310500000000, -0.0002697100000000 ] - [ -0.0001678500000000, 0.0001961400000000, -0.0001772400000000 ] - [ -0.0004029200000000, -0.0001347900000000, -0.0005131000000000 ] - [ -0.0010141700000000, 0.0015333400000000, -0.0006665200000000 ] - [ -0.0004186800000000, 0.0001256400000000, -0.0000497200000000 ] - [ -0.0003679800000000, -0.0001975400000000, -0.0001936800000000 ] - [ -0.0008239600000000, -0.0001865600000000, -0.0002067000000000 ] - [ -0.0003830300000000, 0.0000662300000000, 0.0006802900000000 ]- atom: 2 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0006070400000000, -0.0002110800000000, 0.0010307800000000 ] - [ 0.0213482800000000, -0.0013888700000000, 0.0043208400000000 ] - [ 0.0005351100000000, -0.0000726800000000, -0.0005215000000000 ] - [ 0.0002301700000000, 0.0002055600000000, 0.0002416700000000 ] - [ -0.0003329100000000, 0.0001221400000000, -0.0003054200000000 ] - [ -0.0005932400000000, -0.0002775000000000, 0.0001250900000000 ] - [ -0.0003216800000000, -0.0001237800000000, -0.0003043800000000 ] - [ -0.0005903100000000, 0.0002770800000000, 0.0001244400000000 ] - [ 0.0010387600000000, 0.0001198000000000, 0.0002847600000000 ] - [ -0.0049021300000000, 0.0006119300000000, -0.0029691700000000 ] - [ 0.0002012900000000, -0.0005275400000000, 0.0043966100000000 ] - [ 0.0017756900000000, -0.0007548800000000, -0.0015151500000000 ] - [ -0.0008938000000000, 0.0000729300000000, -0.0004079700000000 ] - [ -0.0009046000000000, -0.0000825800000000, -0.0003454900000000 ] - [ -0.0011592700000000, 0.0003140100000000, 0.0000819300000000 ] - [ -0.0011336300000000, -0.0003044500000000, 0.0001038300000000 ] - [ 0.0034769600000000, 0.0011286400000000, 0.0023808600000000 ] - [ -0.0083051600000000, 0.0008515900000000, -0.0057933000000000 ] - [ 0.0013357600000000, 0.0010387700000000, 0.0009324100000000 ] - [ -0.0011310400000000, 0.0003691800000000, 0.0008649400000000 ] - [ 0.0121472500000000, -0.0008916300000000, -0.0065020900000000 ] - [ -0.0013746500000000, 0.0003265900000000, -0.0003257900000000 ] - [ -0.0007829400000000, 0.0002871100000000, 0.0029354300000000 ] - [ -0.0011419200000000, -0.0003684700000000, 0.0007577800000000 ] - [ 0.0037154200000000, -0.0003463800000000, 0.0007829700000000 ] - [ -0.0005793000000000, -0.0002933900000000, 0.0000480100000000 ] - [ -0.0009213200000000, 0.0003983900000000, 0.0002149000000000 ] - [ -0.0007418900000000, -0.0003503200000000, 0.0000955200000000 ] - [ -0.0002074600000000, 0.0000354400000000, -0.0012155300000000 ] - [ -0.0004443400000000, 0.0001715500000000, 0.0006572700000000 ] - [ 0.0054413700000000, -0.0006049800000000, -0.0029592500000000 ] - [ -0.0003579100000000, 0.0000344100000000, -0.0001826200000000 ] - [ -0.0007665400000000, -0.0001002600000000, -0.0001036300000000 ] - [ -0.0001302000000000, -0.0007482800000000, 0.0003254000000000 ] - [ -0.0001091400000000, 0.0007432600000000, 0.0003121100000000 ] - [ -0.0007320400000000, 0.0005018800000000, -0.0003540100000000 ] - [ -0.0008515600000000, -0.0001873300000000, -0.0001052000000000 ] - [ -0.0009125900000000, 0.0002515000000000, -0.0001805300000000 ] - [ -0.0006357600000000, -0.0003122500000000, -0.0002792900000000 ] - [ -0.0009934100000000, -0.0008403400000000, 0.0019642900000000 ] - [ -0.0008556400000000, 0.0001899500000000, -0.0001174700000000 ] - [ -0.0004274500000000, -0.0002269000000000, 0.0004787200000000 ] - [ -0.0013640000000000, 0.0004576700000000, 0.0002628900000000 ] - [ -0.0003716400000000, -0.0003851000000000, 0.0000341100000000 ] - [ -0.0005764900000000, 0.0003036600000000, -0.0002097700000000 ] - [ -0.0005956200000000, 0.0002525900000000, 0.0001328500000000 ] - [ -0.0007721600000000, 0.0000999200000000, -0.0000983900000000 ] - [ -0.0006714300000000, -0.0001466100000000, -0.0002940600000000 ] - [ -0.0038483900000000, 0.0018607800000000, 0.0018876500000000 ] - [ -0.0012306400000000, -0.0009486900000000, -0.0000507400000000 ] - [ 0.0001452900000000, 0.0001965000000000, 0.0008239500000000 ] - [ 0.0000342200000000, -0.0002290500000000, 0.0005131000000000 ] - [ 0.0006545500000000, -0.0000478200000000, 0.0000930200000000 ] - [ -0.0035320300000000, -0.0005551600000000, -0.0017537300000000 ] - [ 0.0005851300000000, -0.0005934000000000, -0.0002437300000000 ] - [ 0.0001372900000000, -0.0000394100000000, -0.0000449900000000 ] - [ -0.0000682300000000, 0.0002513600000000, -0.0005733600000000 ] - [ 0.0000035100000000, 0.0000495600000000, 0.0004926800000000 ] - [ -0.0007030500000000, -0.0001420600000000, -0.0004936100000000 ] - [ 0.0000778800000000, -0.0000290200000000, 0.0005102000000000 ] - [ 0.0023610900000000, -0.0028151200000000, 0.0007382100000000 ] - [ -0.0000625800000000, 0.0007476400000000, 0.0003282000000000 ] - [ -0.0003406000000000, 0.0000289800000000, 0.0003804900000000 ] - [ -0.0017182000000000, -0.0008210500000000, 0.0001441400000000 ] - [ 0.0007041700000000, -0.0000410600000000, -0.0002661500000000 ] - [ 0.0006337400000000, 0.0000781700000000, -0.0000040600000000 ] - [ 0.0004328800000000, 0.0003164100000000, -0.0001215200000000 ] - [ -0.0075727000000000, 0.0010905000000000, -0.0016611700000000 ] - [ -0.0021983300000000, 0.0004764800000000, -0.0003136000000000 ] - [ -0.0008937700000000, -0.0002727700000000, -0.0015310900000000 ] - [ -0.0013130300000000, 0.0003297700000000, -0.0003333000000000 ] - [ 0.0008726300000000, 0.0004787700000000, 0.0000968900000000 ] - [ 0.0004131700000000, 0.0000009000000000, 0.0001187500000000 ] - [ 0.0025044200000000, -0.0000691800000000, -0.0019939400000000 ] - [ -0.0002216700000000, -0.0003780100000000, 0.0031393900000000 ] - [ 0.0003750000000000, -0.0003576000000000, 0.0003410300000000 ] - [ 0.0012836800000000, -0.0004959600000000, -0.0002023600000000 ] - [ 0.0001465200000000, -0.0004800700000000, 0.0006044200000000 ] - [ 0.0003600400000000, 0.0004234800000000, -0.0002174700000000 ] - [ -0.0040929600000000, 0.0016129000000000, 0.0018749600000000 ] - [ 0.0002873900000000, 0.0000772700000000, -0.0001402600000000 ] - [ 0.0002974900000000, 0.0005577600000000, 0.0008275600000000 ] - [ 0.0003436000000000, -0.0002856100000000, 0.0003400100000000 ] - [ -0.0019263700000000, 0.0003127500000000, -0.0012832600000000 ] - [ -0.0021988800000000, -0.0017104800000000, 0.0009006300000000 ] - [ 0.0004308800000000, -0.0003305500000000, -0.0000988100000000 ] - [ 0.0002989900000000, -0.0005563700000000, 0.0008465100000000 ] - [ -0.0000375100000000, 0.0004715400000000, -0.0002221300000000 ] - [ -0.0017974100000000, 0.0000344900000000, -0.0005653200000000 ] - [ -0.0027529700000000, 0.0004471800000000, -0.0005252000000000 ] - [ 0.0004400200000000, -0.0005096800000000, -0.0003537600000000 ] - [ 0.0003897800000000, 0.0003580200000000, 0.0002798400000000 ] - [ -0.0003088800000000, 0.0006763800000000, -0.0009136500000000 ] - [ 0.0002272200000000, -0.0000113500000000, -0.0003634200000000 ] - [ -0.0069926800000000, 0.0013854000000000, 0.0001503600000000 ] - [ 0.0000043100000000, 0.0002509600000000, 0.0005908800000000 ] - [ -0.0002061500000000, 0.0001935400000000, -0.0003607500000000 ] - [ 0.0001724500000000, -0.0002197800000000, -0.0002620000000000 ] - [ 0.0000793200000000, -0.0001144100000000, -0.0000193800000000 ] - [ 0.0001165900000000, -0.0003280500000000, 0.0006463500000000 ] - [ 0.0006058300000000, -0.0000027900000000, -0.0000519100000000 ] - [ -0.0000824200000000, 0.0000735400000000, -0.0003629900000000 ] - [ 0.0006701900000000, -0.0006418000000000, -0.0003626000000000 ] - [ 0.0001315100000000, 0.0000286800000000, -0.0002580100000000 ] - [ 0.0005186700000000, -0.0000417200000000, 0.0001227000000000 ] - [ -0.0005039300000000, 0.0000636700000000, 0.0005884200000000 ] - [ 0.0003241200000000, 0.0001757900000000, -0.0004678200000000 ] - [ 0.0005507400000000, 0.0000610200000000, 0.0001156300000000 ] - [ 0.0006213800000000, -0.0005731600000000, 0.0004146100000000 ] - [ 0.0006181500000000, 0.0005721100000000, 0.0004145700000000 ] - [ 0.0002949000000000, 0.0000488000000000, -0.0002592300000000 ] - [ 0.0003340100000000, -0.0001746800000000, -0.0004713400000000 ] - [ 0.0005468800000000, -0.0000095400000000, 0.0000155400000000 ] - [ 0.0006440600000000, 0.0000608500000000, 0.0001626000000000 ] - [ -0.0000164300000000, 0.0006800500000000, 0.0004435600000000 ] - [ 0.0008282900000000, -0.0000174500000000, 0.0001461900000000 ] - [ -0.0002097100000000, -0.0001936500000000, -0.0003603600000000 ] - [ 0.0007396000000000, 0.0001751700000000, -0.0001664500000000 ] - [ 0.0001408000000000, -0.0002127700000000, -0.0003337800000000 ] - [ 0.0006547200000000, 0.0004636000000000, -0.0001839100000000 ] - [ 0.0004885800000000, 0.0000167600000000, 0.0000198500000000 ] - [ 0.0003056000000000, -0.0000494200000000, -0.0002572000000000 ] - [ 0.0005244800000000, 0.0000403600000000, 0.0001108200000000 ] - [ -0.0000264800000000, -0.0007371000000000, -0.0001996700000000 ] - [ 0.0007884700000000, -0.0002549200000000, -0.0001916400000000 ] - [ 0.0007168600000000, -0.0001691100000000, -0.0001849800000000 ] - [ 0.0003044300000000, 0.0003953900000000, -0.0000969500000000 ] - [ 0.0001770900000000, 0.0002179600000000, -0.0002677900000000 ] - [ 0.0007183300000000, 0.0002273100000000, -0.0001724700000000 ] - [ -0.0001932300000000, 0.0006049400000000, 0.0016056700000000 ] - [ 0.0001683700000000, -0.0003579700000000, 0.0000147400000000 ] - [ -0.0000832100000000, -0.0000724300000000, -0.0003653200000000 ] - [ 0.0005501100000000, 0.0001086100000000, -0.0003469500000000 ] - [ 0.0009001700000000, -0.0000597900000000, -0.0008355700000000 ] - [ -0.0002886600000000, -0.0002382000000000, 0.0002625900000000 ] - [ 0.0001134100000000, 0.0003817700000000, 0.0000761300000000 ] - [ 0.0008240200000000, 0.0000169800000000, 0.0001470800000000 ] - [ 0.0005530800000000, -0.0001084000000000, -0.0003470100000000 ] - [ 0.0007332100000000, -0.0005297700000000, -0.0000790300000000 ] - [ 0.0010828600000000, -0.0005208200000000, 0.0013947700000000 ] - [ 0.0000881700000000, 0.0001082700000000, 0.0000079300000000 ] - [ 0.0002374100000000, 0.0000752600000000, -0.0001210400000000 ] - [ 0.0001475100000000, 0.0002161800000000, -0.0003422900000000 ] - [ -0.0000919500000000, 0.0002067000000000, 0.0004661200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002339900000000, 0.0020671600000000, -0.0005284600000000 ] - [ 0.0008203800000000, -0.0295401500000000, -0.0093252700000000 ] - [ -0.0001137500000000, -0.0001468600000000, -0.0002508900000000 ] - [ -0.0003966000000000, 0.0002935100000000, 0.0001566000000000 ] - [ 0.0000088000000000, 0.0001184300000000, -0.0002983000000000 ] - [ -0.0003247400000000, -0.0002580900000000, 0.0001689700000000 ] - [ 0.0000073700000000, -0.0001183000000000, -0.0002980000000000 ] - [ -0.0003248300000000, 0.0002577000000000, 0.0001695100000000 ] - [ -0.0000679500000000, 0.0001807500000000, -0.0003730000000000 ] - [ -0.0001542300000000, -0.0017772000000000, -0.0006700800000000 ] - [ -0.0004514200000000, 0.0029717300000000, -0.0002230100000000 ] - [ -0.0000610200000000, -0.0003287100000000, 0.0002260900000000 ] - [ 0.0001852800000000, 0.0001584400000000, -0.0003436000000000 ] - [ 0.0001819600000000, -0.0001557200000000, -0.0003540100000000 ] - [ -0.0000153200000000, 0.0002505000000000, 0.0000996900000000 ] - [ -0.0000173200000000, -0.0002507600000000, 0.0001018600000000 ] - [ -0.0008012600000000, -0.0010601900000000, -0.0002046700000000 ] - [ 0.0001019000000000, -0.0049673600000000, 0.0003741400000000 ] - [ 0.0006919000000000, 0.0008186300000000, 0.0006529700000000 ] - [ -0.0002273500000000, 0.0005875900000000, 0.0008334000000000 ] - [ 0.0033852500000000, 0.0148695400000000, 0.0022917900000000 ] - [ 0.0002031000000000, 0.0001750100000000, -0.0003139200000000 ] - [ 0.0001297900000000, -0.0002765900000000, -0.0004274900000000 ] - [ -0.0002154600000000, -0.0005931900000000, 0.0008367100000000 ] - [ 0.0002230000000000, -0.0010841900000000, 0.0000504100000000 ] - [ 0.0004435600000000, -0.0002167100000000, 0.0002118800000000 ] - [ 0.0001007400000000, 0.0003415300000000, -0.0000443400000000 ] - [ 0.0000918400000000, -0.0003466300000000, -0.0000208100000000 ] - [ 0.0005112300000000, 0.0001581200000000, 0.0003032600000000 ] - [ 0.0003959300000000, 0.0002282400000000, 0.0001580900000000 ] - [ -0.0001214200000000, 0.0099988000000000, 0.0015698700000000 ] - [ 0.0000782600000000, -0.0001116600000000, -0.0001976400000000 ] - [ 0.0000437600000000, -0.0000472300000000, -0.0000443100000000 ] - [ 0.0006832600000000, -0.0008119600000000, 0.0004184600000000 ] - [ 0.0006843800000000, 0.0008125600000000, 0.0004230700000000 ] - [ -0.0002784300000000, 0.0006593800000000, 0.0009183900000000 ] - [ 0.0005055100000000, -0.0000135200000000, -0.0001701400000000 ] - [ 0.0001283500000000, 0.0000692000000000, -0.0002497900000000 ] - [ 0.0002636500000000, -0.0000638800000000, -0.0000879100000000 ] - [ -0.0003003600000000, -0.0006842200000000, 0.0008652900000000 ] - [ 0.0005065500000000, 0.0000122300000000, -0.0001681500000000 ] - [ 0.0003845400000000, -0.0002118200000000, 0.0001793300000000 ] - [ 0.0000323200000000, 0.0003004400000000, -0.0001118000000000 ] - [ 0.0000771000000000, -0.0003574100000000, 0.0000367900000000 ] - [ 0.0002547500000000, 0.0000634500000000, -0.0000927900000000 ] - [ 0.0004325800000000, 0.0002180300000000, 0.0001912800000000 ] - [ 0.0000431500000000, 0.0000466000000000, -0.0000456000000000 ] - [ 0.0001060900000000, -0.0000797200000000, -0.0002182800000000 ] - [ -0.0027381000000000, 0.0039426100000000, 0.0046780300000000 ] - [ -0.0001111500000000, -0.0001594000000000, -0.0002826200000000 ] - [ -0.0004343900000000, -0.0000987100000000, -0.0003025500000000 ] - [ -0.0002553700000000, -0.0001316300000000, 0.0005812500000000 ] - [ 0.0000867400000000, 0.0002476400000000, 0.0002228900000000 ] - [ 0.0003764600000000, 0.0010367700000000, -0.0008326400000000 ] - [ -0.0000795000000000, -0.0002042000000000, -0.0000455300000000 ] - [ -0.0000813100000000, 0.0000725800000000, -0.0001763900000000 ] - [ 0.0003483200000000, -0.0000255700000000, -0.0001082800000000 ] - [ -0.0005690000000000, 0.0001998300000000, 0.0003396800000000 ] - [ -0.0001209400000000, -0.0000107900000000, -0.0005832600000000 ] - [ -0.0005707800000000, -0.0001983700000000, 0.0003428600000000 ] - [ 0.0025107100000000, 0.0000094000000000, 0.0013572500000000 ] - [ 0.0002123100000000, 0.0007853500000000, 0.0003854500000000 ] - [ 0.0000952000000000, 0.0000019800000000, -0.0003149300000000 ] - [ 0.0000155500000000, 0.0024876400000000, -0.0009830700000000 ] - [ 0.0001430200000000, -0.0001764300000000, 0.0000485600000000 ] - [ 0.0001092700000000, -0.0002394500000000, 0.0002186700000000 ] - [ 0.0001101400000000, 0.0004067500000000, -0.0000520400000000 ] - [ -0.0011897500000000, 0.0009603700000000, 0.0007858200000000 ] - [ -0.0001153800000000, -0.0005053000000000, -0.0003649000000000 ] - [ 0.0004031700000000, 0.0002793700000000, -0.0002507500000000 ] - [ -0.0002535100000000, -0.0000159000000000, -0.0002286300000000 ] - [ 0.0000676800000000, 0.0003100300000000, -0.0003137500000000 ] - [ 0.0001334500000000, 0.0001933700000000, -0.0000207300000000 ] - [ -0.0001783100000000, 0.0002845200000000, -0.0000334100000000 ] - [ 0.0003981600000000, 0.0002509900000000, 0.0001580400000000 ] - [ 0.0000059300000000, -0.0005192700000000, 0.0003621200000000 ] - [ 0.0003560300000000, -0.0000908900000000, -0.0001938000000000 ] - [ -0.0002020800000000, -0.0006159800000000, -0.0003238300000000 ] - [ -0.0000675500000000, 0.0002087000000000, -0.0000564700000000 ] - [ -0.0000530600000000, 0.0003028000000000, -0.0014515100000000 ] - [ 0.0003304500000000, 0.0000988600000000, -0.0002467500000000 ] - [ -0.0002173900000000, 0.0003346600000000, 0.0007561200000000 ] - [ -0.0003402700000000, -0.0004705600000000, 0.0001448400000000 ] - [ -0.0006572400000000, -0.0004839800000000, -0.0011689000000000 ] - [ 0.0005653700000000, 0.0003288600000000, -0.0007842600000000 ] - [ 0.0001075400000000, -0.0004064100000000, -0.0000511200000000 ] - [ -0.0002207400000000, -0.0003331400000000, 0.0007552000000000 ] - [ -0.0001981800000000, 0.0004520200000000, 0.0001665300000000 ] - [ 0.0001780500000000, 0.0001020900000000, 0.0000324500000000 ] - [ 0.0016525800000000, -0.0024702000000000, 0.0022099500000000 ] - [ 0.0001640200000000, -0.0003209800000000, -0.0002885700000000 ] - [ 0.0000078200000000, 0.0005190500000000, 0.0003662100000000 ] - [ -0.0001863800000000, 0.0000823900000000, 0.0000652900000000 ] - [ -0.0000815600000000, -0.0000646000000000, -0.0001432800000000 ] - [ -0.0038680300000000, 0.0010290300000000, 0.0001356400000000 ] - [ -0.0002575500000000, 0.0001245800000000, 0.0005677300000000 ] - [ -0.0005447400000000, 0.0001302400000000, -0.0003458500000000 ] - [ -0.0003178700000000, -0.0004864900000000, -0.0001534800000000 ] - [ -0.0001823100000000, -0.0001177200000000, -0.0000216600000000 ] - [ -0.0002657000000000, -0.0001001700000000, 0.0006193000000000 ] - [ 0.0001280400000000, 0.0002231100000000, 0.0002214100000000 ] - [ -0.0004468300000000, 0.0000233700000000, -0.0004956400000000 ] - [ -0.0000991500000000, -0.0001733600000000, -0.0000270300000000 ] - [ -0.0000760900000000, 0.0000650600000000, -0.0001592200000000 ] - [ 0.0002178400000000, 0.0000298700000000, 0.0001718600000000 ] - [ -0.0005591700000000, 0.0002062200000000, 0.0002968600000000 ] - [ -0.0000753000000000, 0.0000497100000000, -0.0004875900000000 ] - [ -0.0005470900000000, -0.0003112600000000, 0.0004272400000000 ] - [ 0.0003113900000000, -0.0006575000000000, 0.0004066700000000 ] - [ 0.0003110700000000, 0.0006583700000000, 0.0004046200000000 ] - [ 0.0000147300000000, 0.0000428600000000, -0.0002130100000000 ] - [ -0.0000749300000000, -0.0000503000000000, -0.0004862600000000 ] - [ 0.0001376500000000, -0.0001914400000000, 0.0000098700000000 ] - [ 0.0000885200000000, -0.0002523300000000, 0.0002144600000000 ] - [ 0.0001322600000000, 0.0003749100000000, -0.0000828500000000 ] - [ 0.0000532300000000, -0.0000233300000000, -0.0000754000000000 ] - [ -0.0005445600000000, -0.0001300800000000, -0.0003463300000000 ] - [ 0.0000959200000000, 0.0001402000000000, -0.0003675600000000 ] - [ -0.0003723200000000, -0.0000010600000000, -0.0002706800000000 ] - [ 0.0001392400000000, 0.0003260300000000, -0.0003009500000000 ] - [ 0.0001448700000000, 0.0001913600000000, -0.0000014800000000 ] - [ 0.0000126900000000, -0.0000430600000000, -0.0002106900000000 ] - [ 0.0002180200000000, -0.0000295000000000, 0.0001729000000000 ] - [ 0.0000441200000000, -0.0005185500000000, 0.0002999700000000 ] - [ 0.0002750000000000, -0.0000760600000000, -0.0002140100000000 ] - [ 0.0000995800000000, -0.0001401300000000, -0.0003659900000000 ] - [ -0.0000652900000000, 0.0002182700000000, -0.0000786900000000 ] - [ -0.0003179400000000, 0.0004864200000000, -0.0001525900000000 ] - [ 0.0002820700000000, 0.0000794600000000, -0.0002194100000000 ] - [ -0.0002422400000000, 0.0003877400000000, 0.0007511500000000 ] - [ -0.0002269500000000, -0.0004682400000000, 0.0001496600000000 ] - [ -0.0004465400000000, -0.0000232100000000, -0.0004957400000000 ] - [ 0.0001666700000000, -0.0000544700000000, -0.0002558000000000 ] - [ 0.0002726100000000, -0.0002545600000000, -0.0001098300000000 ] - [ -0.0002787400000000, -0.0003936900000000, 0.0007119000000000 ] - [ -0.0002212700000000, 0.0004629400000000, 0.0001389900000000 ] - [ 0.0000533000000000, 0.0000237500000000, -0.0000765100000000 ] - [ 0.0001666300000000, 0.0000547200000000, -0.0002557300000000 ] - [ 0.0001168300000000, -0.0003157200000000, -0.0003158000000000 ] - [ -0.0000887100000000, 0.0007948100000000, 0.0002459200000000 ] - [ -0.0001841500000000, 0.0001181800000000, -0.0000243900000000 ] - [ -0.0000912800000000, -0.0000721500000000, -0.0001576700000000 ] - [ -0.0003726900000000, 0.0000009500000000, -0.0002694100000000 ] - [ -0.0002396500000000, 0.0001298500000000, 0.0005402500000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002400600000000, -0.0018291900000000, -0.0000809200000000 ] - [ -0.0016861100000000, 0.0289379800000000, 0.0095883500000000 ] - [ 0.0000833900000000, -0.0000907700000000, -0.0003466500000000 ] - [ -0.0002895100000000, 0.0002242700000000, 0.0001747600000000 ] - [ -0.0000379000000000, 0.0001185600000000, -0.0002989400000000 ] - [ -0.0003609000000000, -0.0002605100000000, 0.0001635300000000 ] - [ -0.0000365700000000, -0.0001191900000000, -0.0002995400000000 ] - [ -0.0003608300000000, 0.0002600800000000, 0.0001629400000000 ] - [ 0.0002888100000000, 0.0001231100000000, -0.0003267000000000 ] - [ 0.0003674600000000, 0.0014775600000000, -0.0000382800000000 ] - [ 0.0002311100000000, -0.0024528400000000, 0.0004324300000000 ] - [ -0.0001265700000000, -0.0001791400000000, -0.0000234300000000 ] - [ 0.0000362700000000, 0.0001449800000000, -0.0003572800000000 ] - [ 0.0000394600000000, -0.0001478800000000, -0.0003469400000000 ] - [ -0.0001696800000000, 0.0002582800000000, 0.0001013200000000 ] - [ -0.0001677700000000, -0.0002586300000000, 0.0000992000000000 ] - [ 0.0007736800000000, 0.0009492000000000, 0.0000849300000000 ] - [ 0.0011972600000000, 0.0033339300000000, 0.0004660800000000 ] - [ 0.0005680700000000, 0.0007962400000000, 0.0001741900000000 ] - [ -0.0003406000000000, 0.0005614700000000, 0.0008333100000000 ] - [ -0.0024538000000000, -0.0148854000000000, -0.0024831900000000 ] - [ -0.0000927600000000, -0.0000090600000000, -0.0001551900000000 ] - [ 0.0002696900000000, 0.0001161400000000, 0.0002299500000000 ] - [ -0.0003523000000000, -0.0005562200000000, 0.0008297500000000 ] - [ 0.0006050400000000, 0.0011318400000000, -0.0003774900000000 ] - [ 0.0002540600000000, -0.0002236600000000, 0.0001665400000000 ] - [ -0.0000304800000000, 0.0003521300000000, -0.0000009100000000 ] - [ -0.0000216700000000, -0.0003471200000000, -0.0000235800000000 ] - [ -0.0001085600000000, 0.0000001200000000, -0.0005027500000000 ] - [ 0.0003011000000000, 0.0002119700000000, 0.0002196500000000 ] - [ 0.0000875600000000, -0.0098916900000000, -0.0017536900000000 ] - [ 0.0000308900000000, -0.0000554300000000, -0.0002687900000000 ] - [ -0.0000665900000000, -0.0000534100000000, -0.0000538300000000 ] - [ 0.0005765100000000, -0.0008037300000000, 0.0004087800000000 ] - [ 0.0005752400000000, 0.0008027400000000, 0.0004041400000000 ] - [ -0.0002900400000000, 0.0004892700000000, 0.0007487900000000 ] - [ 0.0003236000000000, -0.0000364100000000, -0.0001597400000000 ] - [ -0.0000185500000000, 0.0000976600000000, -0.0002177600000000 ] - [ 0.0001382200000000, -0.0000963200000000, -0.0001139100000000 ] - [ -0.0002678100000000, -0.0004650100000000, 0.0008003600000000 ] - [ 0.0003222100000000, 0.0000378200000000, -0.0001615200000000 ] - [ 0.0003129200000000, -0.0002287300000000, 0.0001985900000000 ] - [ 0.0000382500000000, 0.0003927600000000, 0.0000672100000000 ] - [ -0.0000071100000000, -0.0003364400000000, -0.0000815300000000 ] - [ 0.0001471800000000, 0.0000963100000000, -0.0001088500000000 ] - [ 0.0002647500000000, 0.0002222400000000, 0.0001867000000000 ] - [ -0.0000661300000000, 0.0000538600000000, -0.0000525300000000 ] - [ 0.0000035400000000, -0.0000877200000000, -0.0002494700000000 ] - [ 0.0017382900000000, -0.0038439900000000, -0.0056303300000000 ] - [ -0.0004580400000000, -0.0007777600000000, -0.0000378300000000 ] - [ 0.0001042900000000, -0.0001362800000000, 0.0002573200000000 ] - [ -0.0002193800000000, -0.0001427700000000, 0.0005680900000000 ] - [ 0.0001880400000000, 0.0001943000000000, 0.0001931700000000 ] - [ -0.0012379500000000, -0.0009905900000000, -0.0000963100000000 ] - [ -0.0000007300000000, -0.0002403500000000, -0.0000809100000000 ] - [ -0.0000494400000000, 0.0000510100000000, -0.0001413000000000 ] - [ 0.0001282600000000, 0.0000756700000000, 0.0004433700000000 ] - [ -0.0004888700000000, 0.0001782700000000, 0.0003642500000000 ] - [ 0.0000246900000000, 0.0001272300000000, -0.0003874600000000 ] - [ -0.0004873200000000, -0.0001795800000000, 0.0003612900000000 ] - [ -0.0018431900000000, -0.0012977100000000, -0.0005396900000000 ] - [ 0.0004507400000000, 0.0005201800000000, 0.0004274600000000 ] - [ -0.0000278500000000, 0.0000846700000000, -0.0001153000000000 ] - [ -0.0001804600000000, -0.0026318700000000, -0.0000024100000000 ] - [ 0.0001918200000000, -0.0001811500000000, -0.0000375300000000 ] - [ 0.0001663400000000, -0.0002027000000000, 0.0001971900000000 ] - [ 0.0001516300000000, 0.0003952200000000, -0.0000582800000000 ] - [ 0.0013223800000000, -0.0006443000000000, -0.0007851500000000 ] - [ -0.0009235700000000, 0.0002352000000000, -0.0003270900000000 ] - [ -0.0001222200000000, 0.0000042600000000, -0.0004578000000000 ] - [ -0.0004204700000000, -0.0000148900000000, -0.0003196900000000 ] - [ 0.0002606300000000, 0.0003558900000000, -0.0002792400000000 ] - [ 0.0002000700000000, 0.0001660000000000, 0.0000302500000000 ] - [ 0.0002513100000000, -0.0003707600000000, -0.0003967500000000 ] - [ 0.0000740400000000, -0.0002990600000000, 0.0001745700000000 ] - [ 0.0000582200000000, -0.0004974200000000, 0.0003603700000000 ] - [ 0.0002648700000000, -0.0000865900000000, -0.0002333200000000 ] - [ 0.0004768400000000, 0.0003307200000000, -0.0003844500000000 ] - [ -0.0000125200000000, 0.0002353800000000, -0.0000703800000000 ] - [ -0.0004770000000000, 0.0006811300000000, 0.0011619700000000 ] - [ 0.0002916800000000, 0.0000788800000000, -0.0001813000000000 ] - [ -0.0001504400000000, 0.0003632800000000, 0.0007651300000000 ] - [ -0.0000593900000000, -0.0004486700000000, 0.0001301300000000 ] - [ -0.0001933400000000, 0.0004324400000000, 0.0001948600000000 ] - [ -0.0001754500000000, -0.0004087100000000, 0.0002573400000000 ] - [ 0.0001542700000000, -0.0003958800000000, -0.0000591000000000 ] - [ -0.0001470300000000, -0.0003652700000000, 0.0007659200000000 ] - [ -0.0002006100000000, 0.0004659400000000, 0.0001067300000000 ] - [ 0.0000343900000000, -0.0000565600000000, -0.0001524200000000 ] - [ -0.0012657900000000, 0.0025674500000000, -0.0027304300000000 ] - [ 0.0001658200000000, -0.0003457200000000, -0.0003040400000000 ] - [ 0.0000563800000000, 0.0004975800000000, 0.0003559100000000 ] - [ -0.0001449400000000, 0.0001544000000000, -0.0001102500000000 ] - [ -0.0000489700000000, -0.0000588800000000, -0.0001740000000000 ] - [ 0.0033538200000000, -0.0011645500000000, -0.0005893800000000 ] - [ -0.0002173300000000, 0.0001491900000000, 0.0005811500000000 ] - [ -0.0004993300000000, 0.0001380400000000, -0.0003483700000000 ] - [ -0.0002512000000000, -0.0004504800000000, -0.0001676700000000 ] - [ -0.0001476400000000, -0.0001173400000000, -0.0000226800000000 ] - [ -0.0002089900000000, -0.0001738900000000, 0.0005298600000000 ] - [ 0.0001472500000000, 0.0002189600000000, 0.0001946300000000 ] - [ -0.0003979600000000, 0.0000294600000000, -0.0004778800000000 ] - [ 0.0000187200000000, -0.0002711300000000, -0.0000995300000000 ] - [ -0.0000545800000000, 0.0000584100000000, -0.0001581500000000 ] - [ 0.0002583500000000, 0.0000204200000000, 0.0001646200000000 ] - [ -0.0004987600000000, 0.0001717700000000, 0.0004068400000000 ] - [ -0.0000211700000000, 0.0000670400000000, -0.0004832600000000 ] - [ -0.0005111600000000, -0.0000671700000000, 0.0002781400000000 ] - [ 0.0003523100000000, -0.0006470900000000, 0.0004064900000000 ] - [ 0.0003525700000000, 0.0006461100000000, 0.0004079800000000 ] - [ 0.0000521900000000, 0.0000440400000000, -0.0002162600000000 ] - [ -0.0000213100000000, -0.0000667500000000, -0.0004844900000000 ] - [ 0.0001963100000000, -0.0001672900000000, 0.0000002900000000 ] - [ 0.0001869700000000, -0.0001898600000000, 0.0002015500000000 ] - [ 0.0001295100000000, 0.0004271400000000, -0.0000279300000000 ] - [ 0.0001565300000000, -0.0000222000000000, -0.0000452600000000 ] - [ -0.0004997300000000, -0.0001385300000000, -0.0003486500000000 ] - [ 0.0001851800000000, 0.0001442000000000, -0.0003405700000000 ] - [ -0.0003018900000000, -0.0000301200000000, -0.0002782800000000 ] - [ 0.0001900200000000, 0.0003401100000000, -0.0002918500000000 ] - [ 0.0001889800000000, 0.0001674100000000, 0.0000119300000000 ] - [ 0.0000540100000000, -0.0000438200000000, -0.0002181100000000 ] - [ 0.0002582800000000, -0.0000208700000000, 0.0001636500000000 ] - [ 0.0000203700000000, -0.0004981800000000, 0.0004226700000000 ] - [ 0.0003467800000000, -0.0001017600000000, -0.0002135400000000 ] - [ 0.0001810300000000, -0.0001446100000000, -0.0003420300000000 ] - [ -0.0000145300000000, 0.0002260300000000, -0.0000484200000000 ] - [ -0.0002511100000000, 0.0004501700000000, -0.0001685400000000 ] - [ 0.0003398300000000, 0.0000981200000000, -0.0002082800000000 ] - [ -0.0001248600000000, 0.0003102300000000, 0.0007699400000000 ] - [ -0.0001720500000000, -0.0004502300000000, 0.0001245600000000 ] - [ -0.0003983100000000, -0.0000295900000000, -0.0004777700000000 ] - [ 0.0002186100000000, -0.0000330100000000, -0.0002678100000000 ] - [ -0.0000108900000000, -0.0005469700000000, 0.0000000000000000 ] - [ -0.0000891100000000, -0.0003058200000000, 0.0008086900000000 ] - [ -0.0001779500000000, 0.0004552100000000, 0.0001351000000000 ] - [ 0.0001570600000000, 0.0000220500000000, -0.0000446600000000 ] - [ 0.0002186800000000, 0.0000326400000000, -0.0002680900000000 ] - [ 0.0002125600000000, -0.0003508300000000, -0.0002766200000000 ] - [ 0.0001525200000000, 0.0002221000000000, 0.0004758600000000 ] - [ -0.0001464500000000, 0.0001170300000000, -0.0000203000000000 ] - [ -0.0000394800000000, -0.0000515800000000, -0.0001595500000000 ] - [ -0.0003016300000000, 0.0000299800000000, -0.0002795000000000 ] - [ -0.0002350100000000, 0.0001441500000000, 0.0006087900000000 ]- atom: 2 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0015936800000000, -0.0000190700000000, -0.0020219300000000 ] - [ -0.0043206400000000, -0.0095215800000000, -0.0238898100000000 ] - [ 0.0004202000000000, -0.0001262600000000, 0.0007934900000000 ] - [ -0.0004091900000000, 0.0002672800000000, 0.0019083900000000 ] - [ 0.0000368500000000, 0.0001179700000000, -0.0003014300000000 ] - [ -0.0003055700000000, -0.0002566800000000, 0.0001692000000000 ] - [ 0.0000290500000000, -0.0001179000000000, -0.0002944000000000 ] - [ -0.0003049500000000, 0.0002557600000000, 0.0001756300000000 ] - [ -0.0016297600000000, 0.0002099800000000, 0.0009023200000000 ] - [ 0.0045830900000000, -0.0003201900000000, -0.0016116000000000 ] - [ -0.0047054200000000, -0.0002388800000000, -0.0036839100000000 ] - [ 0.0014524900000000, -0.0006093200000000, 0.0034303400000000 ] - [ 0.0002856500000000, 0.0001757600000000, -0.0003053900000000 ] - [ 0.0002430300000000, -0.0001499400000000, -0.0003882000000000 ] - [ 0.0000763900000000, 0.0002477100000000, 0.0000827000000000 ] - [ 0.0000583000000000, -0.0002453100000000, 0.0001206800000000 ] - [ -0.0014322800000000, 0.0001307000000000, 0.0077241500000000 ] - [ 0.0057985800000000, -0.0011978500000000, -0.0012945300000000 ] - [ -0.0004093600000000, 0.0008328000000000, 0.0021108800000000 ] - [ -0.0002386400000000, 0.0005694600000000, 0.0008356000000000 ] - [ 0.0044370600000000, 0.0027325600000000, 0.0043782700000000 ] - [ 0.0006147600000000, -0.0000562300000000, -0.0011430700000000 ] - [ -0.0017212100000000, -0.0005004400000000, -0.0008619500000000 ] - [ -0.0000703900000000, -0.0006460700000000, 0.0008397200000000 ] - [ -0.0025368900000000, 0.0007642600000000, 0.0058694500000000 ] - [ 0.0008605900000000, -0.0001542000000000, 0.0003284100000000 ] - [ 0.0001671800000000, 0.0003256600000000, -0.0002154700000000 ] - [ 0.0001580200000000, -0.0003643800000000, 0.0001100800000000 ] - [ 0.0016806400000000, -0.0005235200000000, 0.0016823400000000 ] - [ 0.0001004400000000, 0.0002340700000000, 0.0000494800000000 ] - [ 0.0060989700000000, -0.0000611300000000, 0.0028558900000000 ] - [ -0.0002123600000000, -0.0000809500000000, 0.0005610500000000 ] - [ 0.0001075600000000, -0.0000421000000000, -0.0000374400000000 ] - [ 0.0007278400000000, -0.0008160400000000, 0.0004018200000000 ] - [ 0.0007584600000000, 0.0008191000000000, 0.0004531400000000 ] - [ 0.0007833100000000, 0.0010670200000000, 0.0014449900000000 ] - [ 0.0006002800000000, -0.0000024500000000, -0.0001809700000000 ] - [ 0.0002438500000000, 0.0000281000000000, -0.0003867500000000 ] - [ 0.0003610800000000, -0.0000480200000000, -0.0000741700000000 ] - [ -0.0012807300000000, 0.0000286000000000, 0.0003835800000000 ] - [ 0.0006139900000000, -0.0000023100000000, -0.0001655000000000 ] - [ 0.0002456000000000, -0.0001875300000000, 0.0002172100000000 ] - [ 0.0003045500000000, 0.0001766300000000, -0.0007159600000000 ] - [ 0.0000560100000000, -0.0004470600000000, 0.0006177700000000 ] - [ 0.0002879600000000, 0.0000418200000000, -0.0000827800000000 ] - [ 0.0007119400000000, 0.0002465500000000, 0.0001387300000000 ] - [ 0.0000995400000000, 0.0000428300000000, -0.0000445400000000 ] - [ 0.0001285400000000, -0.0001022900000000, -0.0000822500000000 ] - [ -0.0028852400000000, 0.0062327800000000, 0.0082038200000000 ] - [ 0.0007040700000000, 0.0001527900000000, -0.0014623300000000 ] - [ -0.0008642200000000, -0.0003883400000000, -0.0005836400000000 ] - [ -0.0002436600000000, -0.0001683100000000, 0.0006543800000000 ] - [ -0.0000778400000000, 0.0003236500000000, 0.0002814800000000 ] - [ 0.0003585800000000, -0.0000054300000000, -0.0008957600000000 ] - [ -0.0001809900000000, -0.0001384300000000, 0.0000510600000000 ] - [ -0.0001415600000000, 0.0001111900000000, -0.0003327400000000 ] - [ 0.0016021900000000, -0.0001501300000000, -0.0008815000000000 ] - [ -0.0006191100000000, 0.0002234700000000, 0.0003026500000000 ] - [ 0.0002939800000000, -0.0000901000000000, -0.0020468400000000 ] - [ -0.0006120100000000, -0.0001988500000000, 0.0003562400000000 ] - [ -0.0005709500000000, 0.0004303900000000, 0.0029332800000000 ] - [ 0.0007664100000000, 0.0009542300000000, -0.0009400100000000 ] - [ 0.0001930400000000, -0.0000235000000000, -0.0016196400000000 ] - [ -0.0009872100000000, -0.0004376900000000, 0.0027773000000000 ] - [ 0.0004611100000000, 0.0003030000000000, 0.0006557600000000 ] - [ 0.0001904000000000, -0.0001997500000000, 0.0001855500000000 ] - [ 0.0001031500000000, 0.0004100800000000, -0.0000577900000000 ] - [ 0.0010915000000000, 0.0006939300000000, 0.0029319900000000 ] - [ -0.0014514800000000, 0.0007004600000000, -0.0020986800000000 ] - [ 0.0015120200000000, 0.0003286700000000, -0.0001032200000000 ] - [ 0.0007112400000000, -0.0007427500000000, -0.0019703200000000 ] - [ -0.0004554800000000, 0.0002951900000000, -0.0003734100000000 ] - [ -0.0001337000000000, 0.0006072900000000, -0.0006366900000000 ] - [ 0.0009367400000000, -0.0001580600000000, 0.0013310700000000 ] - [ -0.0021064100000000, -0.0005054500000000, -0.0000558200000000 ] - [ -0.0000358900000000, -0.0005337700000000, 0.0003492800000000 ] - [ -0.0001145600000000, 0.0000333500000000, 0.0003858500000000 ] - [ -0.0015725800000000, 0.0000553200000000, -0.0014466300000000 ] - [ -0.0000551000000000, 0.0002164100000000, -0.0001211400000000 ] - [ -0.0012262400000000, 0.0007164400000000, 0.0016444500000000 ] - [ 0.0004752200000000, 0.0001503200000000, -0.0006400800000000 ] - [ -0.0002328700000000, 0.0003283900000000, 0.0007509900000000 ] - [ -0.0008212600000000, -0.0008424900000000, 0.0005572800000000 ] - [ -0.0017061400000000, 0.0015483700000000, -0.0038962000000000 ] - [ 0.0000496500000000, -0.0006821900000000, -0.0019207700000000 ] - [ 0.0000666500000000, -0.0004145900000000, -0.0000374100000000 ] - [ -0.0002811000000000, -0.0003065800000000, 0.0007475000000000 ] - [ 0.0001916100000000, 0.0002045800000000, -0.0002618400000000 ] - [ -0.0001768500000000, 0.0001469000000000, -0.0017792600000000 ] - [ -0.0000189600000000, 0.0007558900000000, -0.0033598200000000 ] - [ 0.0005384200000000, -0.0003490500000000, -0.0003420900000000 ] - [ -0.0000069800000000, 0.0005284300000000, 0.0003873800000000 ] - [ 0.0005767000000000, -0.0000079400000000, 0.0000322300000000 ] - [ -0.0000626400000000, -0.0000301700000000, 0.0000253800000000 ] - [ -0.0002477700000000, -0.0018434700000000, 0.0023553100000000 ] - [ -0.0003058900000000, 0.0000746400000000, 0.0004996200000000 ] - [ -0.0005694100000000, 0.0001261600000000, -0.0003436600000000 ] - [ -0.0003551700000000, -0.0005068300000000, -0.0001489600000000 ] - [ -0.0001972100000000, -0.0001195600000000, -0.0000171100000000 ] - [ -0.0004105900000000, -0.0001316700000000, 0.0008437200000000 ] - [ 0.0003395800000000, 0.0000409900000000, 0.0002482500000000 ] - [ -0.0004761500000000, 0.0000194800000000, -0.0005051200000000 ] - [ -0.0002113000000000, -0.0000608300000000, 0.0001493900000000 ] - [ -0.0000484500000000, 0.0000737700000000, -0.0002037000000000 ] - [ 0.0001933100000000, 0.0000361400000000, 0.0001719700000000 ] - [ -0.0007369300000000, 0.0001911900000000, -0.0001467600000000 ] - [ -0.0001087800000000, 0.0000363500000000, -0.0004962000000000 ] - [ -0.0004836600000000, -0.0003136100000000, 0.0009436500000000 ] - [ 0.0002907000000000, -0.0006594000000000, 0.0004160500000000 ] - [ 0.0002863500000000, 0.0006687700000000, 0.0003937200000000 ] - [ 0.0000000100000000, 0.0000394900000000, -0.0002212100000000 ] - [ -0.0001012000000000, -0.0000448800000000, -0.0004804100000000 ] - [ 0.0000852800000000, -0.0002020400000000, 0.0000717000000000 ] - [ -0.0001931500000000, -0.0004620600000000, 0.0002042100000000 ] - [ -0.0000068900000000, 0.0003304200000000, -0.0006811200000000 ] - [ -0.0000024600000000, -0.0000235500000000, -0.0000883000000000 ] - [ -0.0005696200000000, -0.0001256700000000, -0.0003462000000000 ] - [ 0.0000348500000000, 0.0001393800000000, -0.0003848600000000 ] - [ -0.0004110400000000, 0.0000143000000000, -0.0002705200000000 ] - [ 0.0001871000000000, 0.0003542700000000, -0.0002656900000000 ] - [ 0.0001419900000000, 0.0002068900000000, -0.0000674600000000 ] - [ -0.0000165200000000, -0.0000450900000000, -0.0001955100000000 ] - [ 0.0001976900000000, -0.0000330800000000, 0.0001803500000000 ] - [ 0.0003531000000000, -0.0004439100000000, 0.0002464900000000 ] - [ 0.0002252600000000, -0.0000541000000000, -0.0001938600000000 ] - [ 0.0000665300000000, -0.0001357600000000, -0.0003773700000000 ] - [ -0.0000426800000000, 0.0002782500000000, -0.0002247100000000 ] - [ -0.0003537800000000, 0.0005054500000000, -0.0001417000000000 ] - [ 0.0002596500000000, 0.0000767200000000, -0.0002457400000000 ] - [ -0.0012821600000000, -0.0000240000000000, 0.0003490100000000 ] - [ -0.0002692000000000, -0.0004951200000000, 0.0001948400000000 ] - [ -0.0004714200000000, -0.0000196900000000, -0.0005069300000000 ] - [ 0.0001382000000000, -0.0000668900000000, -0.0002493900000000 ] - [ 0.0003292800000000, -0.0004361300000000, 0.0005361200000000 ] - [ 0.0011449300000000, -0.0007044900000000, 0.0008616500000000 ] - [ -0.0002341100000000, 0.0004507500000000, 0.0001081300000000 ] - [ -0.0000061100000000, 0.0000249900000000, -0.0000976900000000 ] - [ 0.0001381000000000, 0.0000666500000000, -0.0002488500000000 ] - [ -0.0000147800000000, -0.0002620600000000, -0.0003775300000000 ] - [ -0.0005146000000000, 0.0007952200000000, 0.0003771300000000 ] - [ -0.0002098400000000, 0.0001185300000000, -0.0000313400000000 ] - [ -0.0001620400000000, -0.0000803600000000, -0.0001110200000000 ] - [ -0.0004109900000000, -0.0000146300000000, -0.0002606600000000 ] - [ -0.0001304400000000, 0.0000852000000000, 0.0002937100000000 ]- atom: 2 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0015617300000000, 0.0002555000000000, 0.0014351600000000 ] - [ 0.0035716000000000, 0.0094275400000000, 0.0243456100000000 ] - [ -0.0004456200000000, -0.0001114300000000, -0.0013912100000000 ] - [ -0.0002767600000000, 0.0002509000000000, -0.0015755900000000 ] - [ -0.0000661900000000, 0.0001189300000000, -0.0002957100000000 ] - [ -0.0003804500000000, -0.0002618700000000, 0.0001634200000000 ] - [ -0.0000585200000000, -0.0001194700000000, -0.0003030300000000 ] - [ -0.0003811100000000, 0.0002619800000000, 0.0001569100000000 ] - [ 0.0018593100000000, 0.0000929600000000, -0.0016034500000000 ] - [ -0.0043713600000000, 0.0000166700000000, 0.0009009800000000 ] - [ 0.0045271000000000, 0.0007438600000000, 0.0038610700000000 ] - [ -0.0016471100000000, 0.0000994500000000, -0.0032313600000000 ] - [ -0.0000643100000000, 0.0001273800000000, -0.0003948800000000 ] - [ -0.0000213400000000, -0.0001532100000000, -0.0003129600000000 ] - [ -0.0002637300000000, 0.0002612500000000, 0.0001187800000000 ] - [ -0.0002455000000000, -0.0002642200000000, 0.0000807800000000 ] - [ 0.0013755400000000, -0.0002522200000000, -0.0077630500000000 ] - [ -0.0045418500000000, -0.0004260800000000, 0.0021662200000000 ] - [ 0.0016611500000000, 0.0007813500000000, -0.0012850300000000 ] - [ -0.0003308800000000, 0.0005791300000000, 0.0008318700000000 ] - [ -0.0035673200000000, -0.0027532300000000, -0.0047480600000000 ] - [ -0.0005073200000000, 0.0002241900000000, 0.0006775400000000 ] - [ 0.0021317400000000, 0.0003426600000000, 0.0006699400000000 ] - [ -0.0004997500000000, -0.0005025900000000, 0.0008270800000000 ] - [ 0.0033795500000000, -0.0007190300000000, -0.0062192500000000 ] - [ -0.0001642700000000, -0.0002865100000000, 0.0000490300000000 ] - [ -0.0000985700000000, 0.0003682800000000, 0.0001711500000000 ] - [ -0.0000890600000000, -0.0003292000000000, -0.0001550200000000 ] - [ -0.0012783700000000, 0.0006874300000000, -0.0018912700000000 ] - [ 0.0005977900000000, 0.0002060400000000, 0.0003300100000000 ] - [ -0.0061214100000000, 0.0001761900000000, -0.0029508600000000 ] - [ 0.0003245400000000, -0.0000856500000000, -0.0010298800000000 ] - [ -0.0001322600000000, -0.0000585000000000, -0.0000603800000000 ] - [ 0.0005298200000000, -0.0007995000000000, 0.0004248500000000 ] - [ 0.0004988300000000, 0.0007961500000000, 0.0003736500000000 ] - [ -0.0013567200000000, 0.0000814200000000, 0.0002266600000000 ] - [ 0.0002268200000000, -0.0000477100000000, -0.0001477500000000 ] - [ -0.0001334900000000, 0.0001385900000000, -0.0000809300000000 ] - [ 0.0000415700000000, -0.0001127000000000, -0.0001274800000000 ] - [ 0.0007092400000000, -0.0011761300000000, 0.0012802700000000 ] - [ 0.0002131100000000, 0.0000522000000000, -0.0001629800000000 ] - [ 0.0004513800000000, -0.0002529600000000, 0.0001607900000000 ] - [ -0.0002333900000000, 0.0005172600000000, 0.0006712900000000 ] - [ 0.0000113300000000, -0.0002467400000000, -0.0006621700000000 ] - [ 0.0001147500000000, 0.0001186000000000, -0.0001189000000000 ] - [ -0.0000147100000000, 0.0001934700000000, 0.0002404300000000 ] - [ -0.0001244400000000, 0.0000575100000000, -0.0000532600000000 ] - [ -0.0000191400000000, -0.0000652000000000, -0.0003854200000000 ] - [ 0.0019077200000000, -0.0063511800000000, -0.0092785400000000 ] - [ -0.0012760800000000, -0.0010910200000000, 0.0011418300000000 ] - [ 0.0005337600000000, 0.0001514500000000, 0.0005434000000000 ] - [ -0.0002308800000000, -0.0001059600000000, 0.0004944300000000 ] - [ 0.0003544300000000, 0.0001179300000000, 0.0001341900000000 ] - [ -0.0012932500000000, -0.0000086100000000, 0.0001231100000000 ] - [ 0.0001019700000000, -0.0003068700000000, -0.0001775600000000 ] - [ 0.0000113500000000, 0.0000118300000000, 0.0000164900000000 ] - [ -0.0011219700000000, 0.0001986100000000, 0.0012196300000000 ] - [ -0.0004379700000000, 0.0001538400000000, 0.0004018300000000 ] - [ -0.0003860900000000, 0.0002089300000000, 0.0010761500000000 ] - [ -0.0004451700000000, -0.0001782900000000, 0.0003482900000000 ] - [ 0.0012248700000000, -0.0017301300000000, -0.0021286800000000 ] - [ -0.0000998300000000, 0.0003488000000000, 0.0017531800000000 ] - [ -0.0001299500000000, 0.0001097400000000, 0.0011961600000000 ] - [ 0.0008921100000000, 0.0003230800000000, -0.0037577500000000 ] - [ -0.0001266700000000, -0.0006626200000000, -0.0006473200000000 ] - [ 0.0000857100000000, -0.0002421500000000, 0.0002300200000000 ] - [ 0.0001587900000000, 0.0003916500000000, -0.0000531000000000 ] - [ -0.0008960800000000, -0.0006930900000000, -0.0030254400000000 ] - [ 0.0004066200000000, -0.0009656700000000, 0.0014035500000000 ] - [ -0.0012386700000000, -0.0000452700000000, -0.0006074900000000 ] - [ -0.0013896100000000, 0.0007129100000000, 0.0014224300000000 ] - [ 0.0007869000000000, 0.0003705100000000, -0.0002185500000000 ] - [ 0.0004684900000000, -0.0002496800000000, 0.0006491900000000 ] - [ -0.0008685800000000, 0.0000718100000000, -0.0017695900000000 ] - [ 0.0026067400000000, 0.0004572800000000, 0.0003847100000000 ] - [ 0.0001003000000000, -0.0004827200000000, 0.0003732900000000 ] - [ 0.0007389600000000, -0.0002114000000000, -0.0008156200000000 ] - [ 0.0018591100000000, -0.0003392700000000, 0.0007472500000000 ] - [ -0.0000249300000000, 0.0002276700000000, -0.0000050500000000 ] - [ 0.0006927800000000, 0.0002409900000000, -0.0019321600000000 ] - [ 0.0001449500000000, 0.0000264900000000, 0.0002125200000000 ] - [ -0.0001341500000000, 0.0003700700000000, 0.0007709700000000 ] - [ 0.0004247300000000, -0.0000751200000000, -0.0002823200000000 ] - [ 0.0008593000000000, -0.0016037000000000, 0.0029221200000000 ] - [ 0.0003373400000000, 0.0005867200000000, 0.0013846100000000 ] - [ 0.0001954700000000, -0.0003873700000000, -0.0000734200000000 ] - [ -0.0000856300000000, -0.0003923800000000, 0.0007743300000000 ] - [ -0.0005913800000000, 0.0007145200000000, 0.0005366500000000 ] - [ 0.0003871200000000, -0.0001003200000000, 0.0016574900000000 ] - [ 0.0004121300000000, -0.0006809500000000, 0.0028081400000000 ] - [ -0.0002101000000000, -0.0003170100000000, -0.0002507900000000 ] - [ 0.0000713800000000, 0.0004880900000000, 0.0003344600000000 ] - [ -0.0009106900000000, 0.0002454800000000, -0.0000786700000000 ] - [ -0.0000673600000000, -0.0000931800000000, -0.0003433200000000 ] - [ -0.0004013300000000, 0.0018460400000000, -0.0028913000000000 ] - [ -0.0001686500000000, 0.0001994400000000, 0.0006494800000000 ] - [ -0.0004739200000000, 0.0001428900000000, -0.0003501700000000 ] - [ -0.0002132400000000, -0.0004294800000000, -0.0001726000000000 ] - [ -0.0001327700000000, -0.0001163400000000, -0.0000266000000000 ] - [ -0.0000643700000000, -0.0001422400000000, 0.0003045300000000 ] - [ -0.0000630100000000, 0.0004003900000000, 0.0001676500000000 ] - [ -0.0003680200000000, 0.0000335400000000, -0.0004685200000000 ] - [ 0.0001306100000000, -0.0003835400000000, -0.0002750900000000 ] - [ -0.0000815900000000, 0.0000492700000000, -0.0001131000000000 ] - [ 0.0002837600000000, 0.0000134800000000, 0.0001645100000000 ] - [ -0.0003186400000000, 0.0001861500000000, 0.0008508800000000 ] - [ 0.0000133500000000, 0.0000808100000000, -0.0004746600000000 ] - [ -0.0005769200000000, -0.0000634100000000, -0.0002383700000000 ] - [ 0.0003737700000000, -0.0006445100000000, 0.0003971200000000 ] - [ 0.0003780900000000, 0.0006350800000000, 0.0004189000000000 ] - [ 0.0000663900000000, 0.0000471600000000, -0.0002075500000000 ] - [ 0.0000060100000000, -0.0000724800000000, -0.0004903800000000 ] - [ 0.0002494000000000, -0.0001564000000000, -0.0000612200000000 ] - [ 0.0004698300000000, 0.0000205200000000, 0.0002110700000000 ] - [ 0.0002713700000000, 0.0004694600000000, 0.0005693000000000 ] - [ 0.0002132000000000, -0.0000224100000000, -0.0000325200000000 ] - [ -0.0004737100000000, -0.0001435400000000, -0.0003480900000000 ] - [ 0.0002465600000000, 0.0001450400000000, -0.0003229000000000 ] - [ -0.0002628600000000, -0.0000460300000000, -0.0002788400000000 ] - [ 0.0001429300000000, 0.0003116400000000, -0.0003268300000000 ] - [ 0.0001927700000000, 0.0001516200000000, 0.0000782300000000 ] - [ 0.0000826500000000, -0.0000415000000000, -0.0002328500000000 ] - [ 0.0002794800000000, -0.0000166200000000, 0.0001560800000000 ] - [ -0.0002875300000000, -0.0005716200000000, 0.0004774100000000 ] - [ 0.0003965700000000, -0.0001234100000000, -0.0002343900000000 ] - [ 0.0002144800000000, -0.0001489900000000, -0.0003301900000000 ] - [ -0.0000361900000000, 0.0001666400000000, 0.0000976000000000 ] - [ -0.0002146100000000, 0.0004305800000000, -0.0001798200000000 ] - [ 0.0003625800000000, 0.0001007200000000, -0.0001826600000000 ] - [ 0.0009184000000000, 0.0007233000000000, 0.0011705900000000 ] - [ -0.0001290500000000, -0.0004234900000000, 0.0000802000000000 ] - [ -0.0003728600000000, -0.0000332300000000, -0.0004667200000000 ] - [ 0.0002475500000000, -0.0000202300000000, -0.0002742700000000 ] - [ -0.0000682100000000, -0.0003672800000000, -0.0006447500000000 ] - [ -0.0015085900000000, 0.0000057800000000, 0.0006622600000000 ] - [ -0.0001641900000000, 0.0004675100000000, 0.0001665800000000 ] - [ 0.0002175200000000, 0.0000213700000000, -0.0000236300000000 ] - [ 0.0002476800000000, 0.0000204500000000, -0.0002750100000000 ] - [ 0.0003447900000000, -0.0004039900000000, -0.0002149000000000 ] - [ 0.0005764900000000, 0.0002251100000000, 0.0003390100000000 ] - [ -0.0001208500000000, 0.0001176400000000, -0.0000127800000000 ] - [ 0.0000316300000000, -0.0000431800000000, -0.0002060900000000 ] - [ -0.0002629900000000, 0.0000461400000000, -0.0002886700000000 ] - [ -0.0003436900000000, 0.0001889800000000, 0.0008554300000000 ]- atom: 9 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0037308800000000, 0.0003213300000000, -0.0034042900000000 ] - [ -0.0012710800000000, -0.0004371000000000, -0.0015877600000000 ] - [ -0.0061748100000000, -0.0009424700000000, 0.0051469800000000 ] - [ 0.0046577200000000, 0.0005143500000000, 0.0046972400000000 ] - [ 0.0012544500000000, 0.0000988800000000, -0.0002657700000000 ] - [ 0.0006607200000000, -0.0001849100000000, 0.0003559800000000 ] - [ 0.0012458000000000, -0.0001008000000000, -0.0002821300000000 ] - [ 0.0006713400000000, 0.0001880100000000, 0.0003132200000000 ] - [ -0.1046876600000000, -0.0031279300000000, -0.0019697100000000 ] - [ -0.0089857900000000, 0.0005950400000000, -0.0024175200000000 ] - [ 0.0004449000000000, 0.0003777000000000, -0.0006218800000000 ] - [ 0.0081898300000000, 0.0002622300000000, 0.0009584900000000 ] - [ 0.0042396700000000, 0.0004590200000000, -0.0002327200000000 ] - [ 0.0041656300000000, -0.0004465600000000, -0.0002409300000000 ] - [ 0.0037605000000000, 0.0001038700000000, 0.0002224700000000 ] - [ 0.0045851900000000, 0.0000160800000000, -0.0000123000000000 ] - [ 0.0008715800000000, -0.0008735600000000, 0.0035353200000000 ] - [ 0.0037956700000000, -0.0012195800000000, -0.0010306700000000 ] - [ 0.0035402100000000, 0.0009543100000000, 0.0027251800000000 ] - [ 0.0048747400000000, 0.0023852900000000, 0.0020280000000000 ] - [ -0.0090389200000000, -0.0013538500000000, 0.0005697600000000 ] - [ -0.0063381500000000, -0.0002794300000000, 0.0024337300000000 ] - [ -0.0188513900000000, -0.0053237800000000, 0.0036993800000000 ] - [ 0.0017760000000000, -0.0009361300000000, 0.0000220500000000 ] - [ 0.0171760600000000, -0.0063504700000000, -0.0210502400000000 ] - [ -0.0019721800000000, -0.0005231800000000, -0.0060404900000000 ] - [ 0.0009310400000000, 0.0014900800000000, 0.0029976700000000 ] - [ 0.0051928300000000, 0.0002874200000000, -0.0042846200000000 ] - [ -0.0123283600000000, 0.0020608600000000, -0.0087399100000000 ] - [ 0.0173370500000000, -0.0041811100000000, 0.0147634000000000 ] - [ 0.0052332500000000, -0.0009938200000000, -0.0047087600000000 ] - [ 0.0142732100000000, 0.0066938000000000, -0.0184642600000000 ] - [ 0.0029898400000000, 0.0001381300000000, 0.0000757200000000 ] - [ 0.0037542000000000, -0.0011524300000000, 0.0013476600000000 ] - [ 0.0035648200000000, 0.0009967800000000, 0.0002728700000000 ] - [ 0.0039048700000000, 0.0017970100000000, 0.0007308800000000 ] - [ 0.0054959100000000, 0.0006312200000000, -0.0003852400000000 ] - [ 0.0034175200000000, -0.0003621800000000, -0.0002894100000000 ] - [ 0.0034849700000000, 0.0008448800000000, 0.0004769600000000 ] - [ 0.0024322500000000, -0.0010692100000000, 0.0010910600000000 ] - [ 0.0056198200000000, -0.0006410900000000, -0.0003910100000000 ] - [ 0.0037253100000000, -0.0000883700000000, -0.0002482700000000 ] - [ 0.0033239200000000, 0.0001297500000000, -0.0011437300000000 ] - [ 0.0037296200000000, -0.0003665100000000, -0.0002999300000000 ] - [ 0.0034482400000000, -0.0008442000000000, 0.0004845400000000 ] - [ 0.0039677300000000, 0.0001444300000000, -0.0004949200000000 ] - [ 0.0031427400000000, -0.0001617100000000, 0.0002639300000000 ] - [ 0.0034847800000000, 0.0003776000000000, -0.0001502400000000 ] - [ -0.0006626100000000, 0.0004820000000000, 0.0033334100000000 ] - [ 0.0146948500000000, 0.0087079700000000, 0.0037692300000000 ] - [ 0.0029717200000000, -0.0004126300000000, 0.0002772300000000 ] - [ -0.0013244300000000, 0.0014641300000000, -0.0017145300000000 ] - [ -0.0002267400000000, 0.0007672600000000, 0.0011975200000000 ] - [ -0.0000537500000000, -0.0005121700000000, -0.0016530600000000 ] - [ 0.0013590000000000, -0.0013315500000000, -0.0003742600000000 ] - [ -0.0009606700000000, -0.0005540300000000, 0.0047640500000000 ] - [ 0.0001387000000000, 0.0001023200000000, -0.0009373300000000 ] - [ -0.0032819100000000, 0.0007446400000000, 0.0000579300000000 ] - [ -0.0017417700000000, -0.0005805600000000, -0.0020886000000000 ] - [ -0.0022132700000000, -0.0008258100000000, -0.0005632800000000 ] - [ -0.0003663600000000, -0.0002477200000000, 0.0017581200000000 ] - [ -0.0011957200000000, 0.0016005900000000, -0.0010712300000000 ] - [ 0.0098250100000000, 0.0026569300000000, 0.0057536400000000 ] - [ -0.0014014400000000, 0.0002234400000000, 0.0007379400000000 ] - [ 0.0046295400000000, 0.0028955900000000, -0.0005824000000000 ] - [ -0.0051831700000000, -0.0023629500000000, 0.0012505200000000 ] - [ -0.0014347200000000, 0.0005893300000000, 0.0001407400000000 ] - [ 0.0032981100000000, 0.0001797200000000, 0.0021852900000000 ] - [ -0.0010784000000000, 0.0003157100000000, -0.0034887300000000 ] - [ 0.0188162800000000, -0.0016134300000000, 0.0022726200000000 ] - [ 0.0193596600000000, -0.0064543400000000, 0.0079672700000000 ] - [ 0.0041763500000000, 0.0016874800000000, 0.0018518400000000 ] - [ 0.0029233100000000, -0.0048798100000000, 0.0097433600000000 ] - [ 0.0036843200000000, 0.0001873300000000, 0.0012950100000000 ] - [ -0.0018440900000000, -0.0003343500000000, 0.0017759200000000 ] - [ -0.0012483300000000, -0.0010424600000000, 0.0013212000000000 ] - [ 0.0045224200000000, -0.0015568600000000, 0.0000253800000000 ] - [ 0.0064920700000000, -0.0007264000000000, 0.0016365100000000 ] - [ -0.0041720100000000, -0.0018812500000000, 0.0020326000000000 ] - [ 0.0033784300000000, -0.0014790700000000, -0.0005117300000000 ] - [ 0.0131158300000000, 0.0077482600000000, -0.0026960700000000 ] - [ -0.0026116200000000, -0.0006932400000000, 0.0002413300000000 ] - [ 0.0029391700000000, 0.0005870700000000, -0.0008214900000000 ] - [ -0.0044567200000000, -0.0005300000000000, 0.0010929000000000 ] - [ 0.0014663200000000, 0.0010699800000000, -0.0025567600000000 ] - [ -0.0008423800000000, -0.0007700400000000, 0.0001927900000000 ] - [ -0.0017348500000000, 0.0003247000000000, 0.0006410900000000 ] - [ 0.0065767000000000, -0.0001129000000000, -0.0011853000000000 ] - [ -0.0098416100000000, -0.0000113500000000, -0.0016164900000000 ] - [ -0.0032325100000000, 0.0025631000000000, 0.0044924700000000 ] - [ 0.0022773500000000, 0.0039148900000000, -0.0036317300000000 ] - [ -0.0015073400000000, 0.0011427900000000, -0.0003613800000000 ] - [ 0.0090343500000000, 0.0001519700000000, 0.0006197300000000 ] - [ -0.0004563600000000, -0.0022020300000000, -0.0083988700000000 ] - [ 0.0035877100000000, 0.0014483200000000, 0.0001605400000000 ] - [ -0.0010253900000000, 0.0005392400000000, 0.0023896900000000 ] - [ -0.0018163700000000, -0.0001198700000000, -0.0003048800000000 ] - [ -0.0021705000000000, -0.0014960300000000, 0.0002707900000000 ] - [ -0.0011682400000000, -0.0001371000000000, -0.0000796200000000 ] - [ -0.0013121300000000, 0.0002455400000000, 0.0009096300000000 ] - [ -0.0017809400000000, 0.0012491200000000, 0.0008274700000000 ] - [ -0.0017334000000000, -0.0001378100000000, -0.0009550700000000 ] - [ -0.0020420900000000, 0.0009283800000000, 0.0006629300000000 ] - [ -0.0010469100000000, 0.0003996200000000, -0.0000613100000000 ] - [ -0.0009011600000000, 0.0002466400000000, 0.0005437300000000 ] - [ -0.0033432800000000, 0.0007666800000000, -0.0006195400000000 ] - [ -0.0015740900000000, -0.0003416900000000, -0.0004132200000000 ] - [ -0.0023620900000000, -0.0008007300000000, 0.0000887400000000 ] - [ -0.0008390400000000, -0.0010557300000000, 0.0002036600000000 ] - [ -0.0008298500000000, 0.0009024100000000, 0.0005376800000000 ] - [ -0.0010527800000000, 0.0000167700000000, -0.0000445100000000 ] - [ -0.0015544200000000, 0.0005019900000000, -0.0007030200000000 ] - [ -0.0012648200000000, -0.0008516900000000, 0.0000202100000000 ] - [ -0.0021259900000000, -0.0015068800000000, 0.0009088700000000 ] - [ -0.0014045200000000, 0.0008980800000000, 0.0000668400000000 ] - [ -0.0027524900000000, -0.0000587800000000, -0.0009159600000000 ] - [ -0.0017799800000000, 0.0000931600000000, -0.0002764800000000 ] - [ -0.0022653300000000, 0.0000282000000000, -0.0010764100000000 ] - [ -0.0023147200000000, 0.0008053400000000, -0.0000043800000000 ] - [ -0.0019453900000000, -0.0003312500000000, -0.0009588900000000 ] - [ -0.0012557700000000, 0.0008526100000000, -0.0000658700000000 ] - [ -0.0010559200000000, -0.0000203400000000, -0.0000488400000000 ] - [ -0.0009117800000000, -0.0003356400000000, 0.0002169100000000 ] - [ -0.0013398400000000, -0.0012867800000000, 0.0001594900000000 ] - [ -0.0014594300000000, 0.0005224600000000, -0.0003422300000000 ] - [ -0.0022276200000000, -0.0000257400000000, -0.0010688800000000 ] - [ -0.0021534100000000, -0.0009110800000000, 0.0005601300000000 ] - [ -0.0021311400000000, 0.0014732300000000, 0.0002550900000000 ] - [ -0.0014810900000000, -0.0005247800000000, -0.0003609200000000 ] - [ -0.0029899100000000, -0.0007565400000000, 0.0007436700000000 ] - [ -0.0015653700000000, -0.0008240300000000, 0.0005223300000000 ] - [ -0.0018590700000000, 0.0001733800000000, -0.0010135400000000 ] - [ -0.0012439200000000, -0.0006502100000000, 0.0000857000000000 ] - [ -0.0007989800000000, -0.0005522700000000, 0.0002644900000000 ] - [ -0.0013262400000000, 0.0002393000000000, 0.0002531900000000 ] - [ -0.0015808300000000, 0.0008105800000000, 0.0005018300000000 ] - [ -0.0028707000000000, 0.0000478700000000, -0.0008948200000000 ] - [ -0.0012853500000000, 0.0006755300000000, 0.0000787600000000 ] - [ -0.0020459500000000, 0.0003578300000000, -0.0009772300000000 ] - [ -0.0014202100000000, 0.0009339300000000, 0.0009742100000000 ] - [ -0.0011821400000000, 0.0001367200000000, -0.0000797600000000 ] - [ -0.0010696900000000, -0.0003454600000000, 0.0000785300000000 ] - [ -0.0022774800000000, -0.0007865600000000, -0.0000291300000000 ] - [ -0.0012413400000000, -0.0003358800000000, 0.0003792400000000 ]- atom: 9 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0037344800000000, -0.0000894900000000, 0.0028042700000000 ] - [ 0.0005953500000000, -0.0000800900000000, 0.0019288000000000 ] - [ 0.0061815400000000, 0.0007078700000000, -0.0057607600000000 ] - [ -0.0054006700000000, -0.0000076400000000, -0.0044065800000000 ] - [ -0.0012849200000000, 0.0001377100000000, -0.0003316300000000 ] - [ -0.0013467200000000, -0.0003337800000000, -0.0000238300000000 ] - [ -0.0012762700000000, -0.0001364000000000, -0.0003154900000000 ] - [ -0.0013573700000000, 0.0003301200000000, 0.0000185100000000 ] - [ 0.1054778900000000, 0.0028960700000000, 0.0015219900000000 ] - [ 0.0092117100000000, -0.0008901900000000, 0.0017057000000000 ] - [ -0.0006185600000000, 0.0001301200000000, 0.0008259900000000 ] - [ -0.0083875300000000, -0.0007648300000000, -0.0007684300000000 ] - [ -0.0040225500000000, -0.0001555600000000, -0.0004671200000000 ] - [ -0.0039484800000000, 0.0001431500000000, -0.0004586400000000 ] - [ -0.0039503800000000, 0.0004052300000000, -0.0000219500000000 ] - [ -0.0047716200000000, -0.0005251700000000, 0.0002101800000000 ] - [ -0.0008945400000000, 0.0007814900000000, -0.0036405700000000 ] - [ -0.0025438300000000, -0.0003961100000000, 0.0018659900000000 ] - [ -0.0022853900000000, 0.0006605700000000, -0.0019056700000000 ] - [ -0.0054426900000000, -0.0012334600000000, -0.0003624600000000 ] - [ 0.0099299100000000, 0.0013101400000000, -0.0008941900000000 ] - [ 0.0064073000000000, 0.0004547400000000, -0.0028831800000000 ] - [ 0.0191542000000000, 0.0052602700000000, -0.0039745400000000 ] - [ -0.0023603300000000, -0.0002115300000000, 0.0016398100000000 ] - [ -0.0164603200000000, 0.0064826100000000, 0.0208323700000000 ] - [ 0.0026360300000000, 0.0000890800000000, 0.0064092600000000 ] - [ -0.0008783200000000, -0.0007983700000000, -0.0030159500000000 ] - [ -0.0051154600000000, -0.0009686700000000, 0.0042200400000000 ] - [ 0.0126955900000000, -0.0018960700000000, 0.0086149300000000 ] - [ -0.0164668600000000, 0.0046186600000000, -0.0142484200000000 ] - [ -0.0052923900000000, 0.0011039200000000, 0.0046498600000000 ] - [ -0.0141288500000000, -0.0068741800000000, 0.0178636800000000 ] - [ -0.0030174300000000, -0.0002387900000000, -0.0001705500000000 ] - [ -0.0024970600000000, -0.0004646300000000, -0.0005171300000000 ] - [ -0.0023102600000000, 0.0006195100000000, 0.0005522500000000 ] - [ -0.0044845800000000, -0.0006487500000000, 0.0009332900000000 ] - [ -0.0046696400000000, -0.0006810200000000, 0.0000567000000000 ] - [ -0.0033086400000000, 0.0005324400000000, -0.0001762400000000 ] - [ -0.0030855700000000, -0.0010056900000000, -0.0006784600000000 ] - [ -0.0030049400000000, -0.0000830900000000, 0.0005733500000000 ] - [ -0.0047926800000000, 0.0006914300000000, 0.0000626200000000 ] - [ -0.0030330400000000, -0.0003454600000000, 0.0006267600000000 ] - [ -0.0032570500000000, 0.0005585500000000, 0.0011022300000000 ] - [ -0.0036637800000000, -0.0003211100000000, 0.0002552300000000 ] - [ -0.0030485300000000, 0.0010047200000000, -0.0006859900000000 ] - [ -0.0032768200000000, 0.0002890000000000, 0.0008741200000000 ] - [ -0.0031698500000000, 0.0002628400000000, -0.0003579600000000 ] - [ -0.0033756100000000, -0.0005477600000000, -0.0003162500000000 ] - [ -0.0003841700000000, -0.0002150200000000, -0.0040464200000000 ] - [ -0.0159115500000000, -0.0103555400000000, -0.0041744300000000 ] - [ -0.0033124900000000, 0.0001412800000000, -0.0003513200000000 ] - [ 0.0008462200000000, -0.0017228800000000, 0.0028389800000000 ] - [ 0.0005193900000000, -0.0003342200000000, -0.0007898700000000 ] - [ -0.0007936900000000, 0.0005684400000000, 0.0006807600000000 ] - [ -0.0014240300000000, 0.0008784000000000, 0.0002442000000000 ] - [ 0.0008384000000000, 0.0006676700000000, -0.0050654300000000 ] - [ 0.0003383400000000, -0.0000544200000000, 0.0012809500000000 ] - [ 0.0022259300000000, -0.0003729000000000, 0.0006504900000000 ] - [ 0.0016531300000000, 0.0006979600000000, 0.0011220400000000 ] - [ 0.0011596400000000, 0.0004529800000000, 0.0012659400000000 ] - [ 0.0010333500000000, -0.0010582000000000, -0.0009543200000000 ] - [ 0.0018630900000000, -0.0002976400000000, 0.0018854700000000 ] - [ -0.0096603100000000, -0.0024961200000000, -0.0060161100000000 ] - [ 0.0013107100000000, -0.0003407500000000, -0.0017184300000000 ] - [ -0.0042619300000000, -0.0032409900000000, 0.0005769900000000 ] - [ 0.0054736900000000, 0.0019128300000000, -0.0008427100000000 ] - [ 0.0016955900000000, 0.0002129200000000, -0.0002558900000000 ] - [ -0.0031107800000000, -0.0002293500000000, -0.0023260500000000 ] - [ 0.0000382800000000, -0.0005923700000000, 0.0028148700000000 ] - [ -0.0185756300000000, 0.0018533600000000, -0.0030351800000000 ] - [ -0.0211860600000000, 0.0071898500000000, -0.0088284000000000 ] - [ -0.0038277000000000, -0.0010160300000000, -0.0024392300000000 ] - [ -0.0025597400000000, 0.0052729300000000, -0.0097220600000000 ] - [ -0.0036408100000000, -0.0002858200000000, -0.0016356500000000 ] - [ 0.0023314400000000, 0.0002884600000000, -0.0014414200000000 ] - [ 0.0013149500000000, 0.0000284100000000, -0.0005926800000000 ] - [ -0.0038816900000000, 0.0013709400000000, -0.0004475600000000 ] - [ -0.0062454500000000, 0.0004600600000000, -0.0023782700000000 ] - [ 0.0040773500000000, 0.0023246700000000, -0.0021451800000000 ] - [ -0.0039683300000000, 0.0024265700000000, 0.0001944900000000 ] - [ -0.0123656600000000, -0.0073016400000000, 0.0020760700000000 ] - [ 0.0022450400000000, 0.0013919300000000, 0.0012864600000000 ] - [ -0.0033228600000000, -0.0015066700000000, 0.0010923400000000 ] - [ 0.0036389800000000, 0.0004733800000000, -0.0020829100000000 ] - [ -0.0010889700000000, -0.0011629100000000, 0.0020443400000000 ] - [ 0.0011056600000000, -0.0000316700000000, -0.0003083500000000 ] - [ 0.0013723900000000, -0.0010252800000000, 0.0008869600000000 ] - [ -0.0066065900000000, 0.0006681400000000, 0.0014937800000000 ] - [ 0.0099972400000000, 0.0000849600000000, 0.0014861100000000 ] - [ 0.0036435100000000, -0.0024922900000000, -0.0050530600000000 ] - [ -0.0012334600000000, -0.0043213800000000, 0.0033233700000000 ] - [ 0.0015717600000000, -0.0001275200000000, 0.0010830200000000 ] - [ -0.0093648300000000, 0.0001699900000000, -0.0007953900000000 ] - [ 0.0003321900000000, 0.0020683500000000, 0.0080673500000000 ] - [ -0.0042857200000000, -0.0014237000000000, -0.0007130400000000 ] - [ 0.0005532700000000, -0.0002642000000000, -0.0012375100000000 ] - [ 0.0007741200000000, 0.0003912000000000, -0.0003880800000000 ] - [ 0.0016023900000000, 0.0005599500000000, -0.0005933300000000 ] - [ 0.0008379700000000, -0.0000983500000000, 0.0000387100000000 ] - [ 0.0008379300000000, -0.0005165200000000, 0.0002330600000000 ] - [ 0.0020620200000000, -0.0008107000000000, -0.0004161000000000 ] - [ 0.0008926000000000, 0.0001926500000000, -0.0000201200000000 ] - [ 0.0019600800000000, -0.0013709300000000, -0.0007868900000000 ] - [ 0.0009168900000000, -0.0002797000000000, -0.0002508000000000 ] - [ 0.0013822700000000, -0.0001999300000000, -0.0002039500000000 ] - [ 0.0022892100000000, -0.0003934400000000, 0.0013261600000000 ] - [ 0.0014822900000000, 0.0004590100000000, -0.0005605800000000 ] - [ 0.0013052100000000, 0.0004285300000000, 0.0006152500000000 ] - [ 0.0015060400000000, -0.0002479100000000, 0.0006060700000000 ] - [ 0.0014971800000000, 0.0004005300000000, 0.0002734300000000 ] - [ 0.0011170000000000, 0.0000687800000000, -0.0003881100000000 ] - [ 0.0014624700000000, -0.0006185300000000, -0.0002719800000000 ] - [ 0.0016000500000000, 0.0004918300000000, -0.0000122900000000 ] - [ 0.0024089900000000, 0.0010699800000000, -0.0004975100000000 ] - [ 0.0016668900000000, -0.0000962900000000, -0.0001810200000000 ] - [ 0.0029670400000000, 0.0000103800000000, 0.0007918200000000 ] - [ 0.0007378900000000, -0.0003645000000000, -0.0004169500000000 ] - [ 0.0025456400000000, 0.0002573200000000, 0.0003695900000000 ] - [ 0.0016385800000000, -0.0008364400000000, -0.0005464100000000 ] - [ 0.0022761000000000, 0.0009939900000000, 0.0003657300000000 ] - [ 0.0015909800000000, -0.0004927100000000, 0.0000748400000000 ] - [ 0.0011196800000000, -0.0000654000000000, -0.0003834000000000 ] - [ 0.0013926900000000, 0.0002887800000000, 0.0001218500000000 ] - [ 0.0014046900000000, 0.0002726200000000, 0.0005666900000000 ] - [ 0.0020832400000000, -0.0007002300000000, -0.0000908700000000 ] - [ 0.0025079800000000, -0.0002603100000000, 0.0003620700000000 ] - [ 0.0020719300000000, 0.0013533300000000, -0.0006839000000000 ] - [ 0.0015631800000000, -0.0005372700000000, -0.0005776200000000 ] - [ 0.0021049500000000, 0.0007026000000000, -0.0000722100000000 ] - [ 0.0026308300000000, 0.0014565300000000, 0.0007847100000000 ] - [ 0.0011692700000000, -0.0000943300000000, -0.0002437200000000 ] - [ 0.0010175000000000, -0.0002278200000000, 0.0000381900000000 ] - [ 0.0016319400000000, 0.0005638000000000, -0.0006097700000000 ] - [ 0.0010595700000000, -0.0002500600000000, -0.0003804500000000 ] - [ 0.0009578500000000, -0.0009374800000000, 0.0012746400000000 ] - [ 0.0011844600000000, 0.0001078700000000, -0.0002231400000000 ] - [ 0.0030855000000000, 0.0000011100000000, 0.0007702600000000 ] - [ 0.0016729700000000, -0.0005890400000000, -0.0006032500000000 ] - [ 0.0023772900000000, -0.0010208100000000, 0.0003847000000000 ] - [ 0.0014859800000000, 0.0000809200000000, -0.0002503500000000 ] - [ 0.0008511100000000, 0.0000993600000000, 0.0000385600000000 ] - [ 0.0009399200000000, 0.0002255000000000, -0.0003908700000000 ] - [ 0.0016015100000000, 0.0008176500000000, -0.0005218300000000 ] - [ 0.0007665500000000, 0.0006071000000000, 0.0007651200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000955100000000, -0.0010922700000000, -0.0004312700000000 ] - [ -0.0003100800000000, -0.0002303600000000, 0.0002275400000000 ] - [ -0.0011724200000000, 0.0039177800000000, -0.0022042100000000 ] - [ 0.0004262500000000, -0.0013649200000000, 0.0003417200000000 ] - [ 0.0000816900000000, 0.0001164700000000, -0.0002924100000000 ] - [ -0.0002640200000000, -0.0002527000000000, 0.0001913000000000 ] - [ 0.0000743500000000, -0.0001176600000000, -0.0003014000000000 ] - [ -0.0002735300000000, 0.0002550200000000, 0.0001653800000000 ] - [ -0.0027092200000000, -0.0980998900000000, 0.0112317300000000 ] - [ -0.0006334300000000, -0.0004559400000000, 0.0009478100000000 ] - [ 0.0002521600000000, 0.0002197300000000, 0.0001104600000000 ] - [ 0.0001660600000000, -0.0002361600000000, 0.0001023100000000 ] - [ 0.0004159700000000, 0.0001737300000000, -0.0003455700000000 ] - [ 0.0004035500000000, -0.0001742300000000, -0.0003369500000000 ] - [ 0.0001431100000000, 0.0002269500000000, 0.0002439600000000 ] - [ 0.0002763800000000, -0.0002704500000000, -0.0000766300000000 ] - [ 0.0001320200000000, 0.0006446300000000, -0.0002378100000000 ] - [ 0.0008323200000000, -0.0008066900000000, 0.0004252800000000 ] - [ 0.0008736600000000, 0.0008273600000000, 0.0004435400000000 ] - [ 0.0007278700000000, 0.0012051800000000, 0.0008653500000000 ] - [ 0.0012951300000000, 0.0000919900000000, 0.0002495700000000 ] - [ -0.0021490500000000, -0.0009143400000000, 0.0009228600000000 ] - [ 0.0043489800000000, 0.0340806800000000, -0.0009535500000000 ] - [ -0.0006392900000000, -0.0004479200000000, 0.0008449000000000 ] - [ -0.0040632100000000, 0.0364424500000000, -0.0008568400000000 ] - [ -0.0006452300000000, -0.0000688400000000, 0.0004432000000000 ] - [ -0.0001216300000000, 0.0006736900000000, 0.0011729300000000 ] - [ 0.0000154500000000, -0.0007642000000000, -0.0010506200000000 ] - [ -0.0046183300000000, -0.0012709600000000, 0.0060138900000000 ] - [ 0.0022208500000000, -0.0026936300000000, 0.0021570100000000 ] - [ 0.0004796900000000, -0.0003573200000000, -0.0001249400000000 ] - [ 0.0101844300000000, 0.0280951400000000, 0.0090636600000000 ] - [ 0.0001662900000000, -0.0000409600000000, -0.0000461300000000 ] - [ 0.0009830800000000, -0.0008459000000000, 0.0006413200000000 ] - [ 0.0007305500000000, 0.0008414500000000, 0.0002695900000000 ] - [ -0.0000278900000000, 0.0006292200000000, 0.0008217600000000 ] - [ 0.0007728600000000, 0.0000240800000000, -0.0001658000000000 ] - [ 0.0003009500000000, 0.0000524300000000, -0.0002293300000000 ] - [ 0.0004436200000000, -0.0000111400000000, -0.0000549900000000 ] - [ -0.0000358600000000, -0.0006404700000000, 0.0008419500000000 ] - [ 0.0008099000000000, -0.0000224500000000, -0.0002006300000000 ] - [ 0.0006016600000000, -0.0002091200000000, 0.0001511400000000 ] - [ 0.0002874000000000, 0.0003392400000000, -0.0000725100000000 ] - [ 0.0003070200000000, -0.0003504200000000, -0.0000637700000000 ] - [ 0.0004349900000000, 0.0000132700000000, -0.0000615000000000 ] - [ 0.0006033600000000, 0.0002103600000000, 0.0001463200000000 ] - [ 0.0002674100000000, 0.0000314200000000, -0.0000137600000000 ] - [ 0.0003068700000000, -0.0000497900000000, -0.0002343000000000 ] - [ -0.0005024300000000, -0.0004637000000000, 0.0002332300000000 ] - [ 0.0007639700000000, -0.0011286100000000, 0.0054902900000000 ] - [ 0.0001213200000000, -0.0016358800000000, -0.0007655400000000 ] - [ -0.0004896200000000, 0.0004072200000000, -0.0002189300000000 ] - [ 0.0007606700000000, -0.0001434700000000, -0.0002439200000000 ] - [ -0.0004958900000000, -0.0000655400000000, -0.0004336700000000 ] - [ 0.0004928700000000, -0.0005270400000000, -0.0004069600000000 ] - [ 0.0000111500000000, -0.0004485500000000, -0.0008635200000000 ] - [ 0.0001453000000000, 0.0000481300000000, 0.0001929100000000 ] - [ -0.0004032000000000, 0.0001868200000000, 0.0005371800000000 ] - [ -0.0001387200000000, 0.0000131200000000, -0.0004960900000000 ] - [ -0.0007337400000000, -0.0003312000000000, 0.0000795300000000 ] - [ 0.0002512400000000, -0.0006670000000000, 0.0003794300000000 ] - [ 0.0002937000000000, 0.0006616200000000, 0.0004262100000000 ] - [ 0.0027078100000000, 0.0080606200000000, 0.0091534500000000 ] - [ -0.0001274600000000, -0.0000338400000000, -0.0005058900000000 ] - [ 0.0012065300000000, -0.0008372100000000, -0.0010656700000000 ] - [ -0.0020038400000000, -0.0011009000000000, 0.0008689200000000 ] - [ -0.0001502500000000, 0.0004090100000000, 0.0000646400000000 ] - [ -0.0001595800000000, -0.0000425300000000, -0.0002207200000000 ] - [ -0.0002551000000000, -0.0001843500000000, 0.0002687500000000 ] - [ -0.0062751900000000, 0.0014008500000000, 0.0014535800000000 ] - [ -0.0005946200000000, -0.0020774100000000, -0.0084421200000000 ] - [ 0.0007965300000000, 0.0006236300000000, -0.0004373200000000 ] - [ 0.0010880600000000, -0.0032824200000000, -0.0004455300000000 ] - [ -0.0007776400000000, -0.0029894700000000, -0.0016636900000000 ] - [ 0.0001531600000000, -0.0000259000000000, 0.0002246500000000 ] - [ 0.0000144500000000, -0.0005287600000000, 0.0005019100000000 ] - [ 0.0009056500000000, -0.0001841500000000, -0.0002283300000000 ] - [ -0.0001333500000000, 0.0016292300000000, -0.0027570900000000 ] - [ -0.0004350200000000, -0.0005412500000000, 0.0000748700000000 ] - [ -0.0003175600000000, 0.0004442100000000, -0.0002617600000000 ] - [ -0.0039034300000000, 0.0047708300000000, -0.0078745700000000 ] - [ -0.0005440800000000, 0.0001852000000000, 0.0007252900000000 ] - [ 0.0007248300000000, -0.0000334100000000, -0.0009012800000000 ] - [ -0.0003094600000000, -0.0000212800000000, -0.0011297700000000 ] - [ -0.0002580500000000, -0.0003862800000000, -0.0004332400000000 ] - [ 0.0001785600000000, -0.0003834400000000, -0.0001180500000000 ] - [ -0.0001464500000000, -0.0003702000000000, 0.0007448100000000 ] - [ 0.0029114000000000, -0.0035129000000000, -0.0032558600000000 ] - [ -0.0016141000000000, -0.0033343700000000, 0.0005902800000000 ] - [ -0.0000768100000000, -0.0007956000000000, -0.0003440400000000 ] - [ -0.0010574900000000, 0.0055854700000000, -0.0013027200000000 ] - [ -0.0001909200000000, 0.0005480400000000, 0.0002015500000000 ] - [ 0.0045818900000000, 0.0040095100000000, -0.0148206600000000 ] - [ -0.0004376200000000, -0.0006975100000000, -0.0026036100000000 ] - [ -0.0004794600000000, 0.0000841700000000, -0.0005083000000000 ] - [ -0.0000915700000000, 0.0004303700000000, 0.0008421600000000 ] - [ -0.0006283100000000, 0.0001133300000000, -0.0003437200000000 ] - [ -0.0004256800000000, -0.0005459100000000, -0.0001243900000000 ] - [ -0.0002370400000000, -0.0001187000000000, -0.0000247000000000 ] - [ -0.0003129600000000, -0.0001041500000000, 0.0005784000000000 ] - [ -0.0000111100000000, 0.0003029100000000, 0.0002532200000000 ] - [ -0.0004978100000000, 0.0000149100000000, -0.0005286300000000 ] - [ -0.0001902000000000, -0.0001387000000000, -0.0000135700000000 ] - [ -0.0001384100000000, 0.0000841900000000, -0.0001458800000000 ] - [ 0.0001795700000000, 0.0000292000000000, 0.0002054800000000 ] - [ -0.0007409800000000, 0.0002239700000000, 0.0002805000000000 ] - [ -0.0001175700000000, 0.0000466100000000, -0.0004459900000000 ] - [ -0.0006961500000000, -0.0002294100000000, 0.0003077500000000 ] - [ 0.0002300200000000, -0.0007075700000000, 0.0003243100000000 ] - [ 0.0002619500000000, 0.0006492600000000, 0.0004814300000000 ] - [ -0.0000474100000000, 0.0000414500000000, -0.0001999300000000 ] - [ -0.0001902800000000, 0.0000096800000000, -0.0005464600000000 ] - [ 0.0000624300000000, -0.0002302600000000, 0.0000006700000000 ] - [ -0.0000115700000000, -0.0003019700000000, 0.0002554900000000 ] - [ 0.0000302900000000, 0.0004468300000000, -0.0000329500000000 ] - [ -0.0001006100000000, -0.0000279500000000, -0.0001372300000000 ] - [ -0.0006032900000000, -0.0001206000000000, -0.0003420000000000 ] - [ -0.0000391200000000, 0.0001333000000000, -0.0004070600000000 ] - [ -0.0004873000000000, 0.0000466700000000, -0.0002482300000000 ] - [ 0.0000075400000000, 0.0002813900000000, -0.0003467600000000 ] - [ 0.0000628700000000, 0.0002281200000000, 0.0000037800000000 ] - [ -0.0000482400000000, -0.0000408900000000, -0.0002074900000000 ] - [ 0.0001294300000000, -0.0000567700000000, 0.0001623000000000 ] - [ -0.0000653400000000, -0.0005469700000000, 0.0003808300000000 ] - [ 0.0001819200000000, -0.0000444200000000, -0.0002276400000000 ] - [ -0.0000310500000000, -0.0001350900000000, -0.0004051500000000 ] - [ -0.0001987100000000, 0.0001358600000000, -0.0000089400000000 ] - [ -0.0004171400000000, 0.0005402100000000, -0.0001348100000000 ] - [ 0.0001798200000000, 0.0000433600000000, -0.0002249000000000 ] - [ -0.0002883100000000, 0.0002542200000000, 0.0007768100000000 ] - [ -0.0002976800000000, -0.0004846800000000, 0.0001650900000000 ] - [ -0.0005480200000000, -0.0000142200000000, -0.0005176900000000 ] - [ 0.0001004700000000, -0.0000831000000000, -0.0002397900000000 ] - [ 0.0000429100000000, -0.0004246900000000, -0.0000441700000000 ] - [ -0.0003277400000000, -0.0002866700000000, 0.0007423000000000 ] - [ -0.0003012400000000, 0.0004862600000000, 0.0001682200000000 ] - [ -0.0001086500000000, 0.0000254900000000, -0.0001114100000000 ] - [ 0.0000712900000000, 0.0000954900000000, -0.0002332600000000 ] - [ 0.0000063400000000, -0.0002826700000000, -0.0003446500000000 ] - [ -0.0000705500000000, 0.0005467700000000, 0.0003807800000000 ] - [ -0.0002421200000000, 0.0001202000000000, -0.0000251500000000 ] - [ -0.0001379100000000, -0.0000828900000000, -0.0001437800000000 ] - [ -0.0004769800000000, -0.0000417200000000, -0.0002637600000000 ] - [ -0.0003159700000000, 0.0001029400000000, 0.0005663800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001239200000000, 0.0013240600000000, -0.0001647300000000 ] - [ -0.0003735400000000, -0.0002879800000000, 0.0001096000000000 ] - [ 0.0011164200000000, -0.0041519300000000, 0.0015316700000000 ] - [ -0.0011093600000000, 0.0018902300000000, -0.0000175800000000 ] - [ -0.0001119900000000, 0.0001201900000000, -0.0003050900000000 ] - [ -0.0004218400000000, -0.0002662000000000, 0.0001406600000000 ] - [ -0.0001044600000000, -0.0001197100000000, -0.0002961800000000 ] - [ -0.0004121500000000, 0.0002631900000000, 0.0001667600000000 ] - [ 0.0033137800000000, 0.0983701200000000, -0.0124057700000000 ] - [ 0.0008514200000000, 0.0001535600000000, -0.0016172500000000 ] - [ -0.0004322200000000, 0.0002890300000000, 0.0000913600000000 ] - [ -0.0003568500000000, -0.0002702200000000, 0.0000928100000000 ] - [ -0.0001985500000000, 0.0001299900000000, -0.0003533600000000 ] - [ -0.0001859600000000, -0.0001297000000000, -0.0003619200000000 ] - [ -0.0003297100000000, 0.0002823400000000, -0.0000465300000000 ] - [ -0.0004616800000000, -0.0002380300000000, 0.0002783300000000 ] - [ -0.0001538000000000, -0.0007444400000000, 0.0001372500000000 ] - [ 0.0004244800000000, -0.0008093700000000, 0.0004061900000000 ] - [ 0.0003857200000000, 0.0007886400000000, 0.0003820300000000 ] - [ -0.0013079200000000, -0.0000622800000000, 0.0008008500000000 ] - [ -0.0004350400000000, -0.0001376300000000, -0.0005714200000000 ] - [ 0.0022546500000000, 0.0010794000000000, -0.0013788700000000 ] - [ -0.0039012200000000, -0.0340887900000000, 0.0010862600000000 ] - [ 0.0000675300000000, -0.0007038400000000, 0.0008148000000000 ] - [ 0.0045838600000000, -0.0365075300000000, 0.0005229400000000 ] - [ 0.0013300500000000, -0.0003704700000000, -0.0000800600000000 ] - [ 0.0001864900000000, 0.0000115900000000, -0.0012182000000000 ] - [ 0.0000622800000000, 0.0000842700000000, 0.0009992700000000 ] - [ 0.0049005800000000, 0.0014060400000000, -0.0061079400000000 ] - [ -0.0016035200000000, 0.0032222800000000, -0.0018126000000000 ] - [ -0.0005109900000000, 0.0004596900000000, 0.0000342100000000 ] - [ -0.0097603900000000, -0.0283543200000000, -0.0096962900000000 ] - [ -0.0001894500000000, -0.0000599900000000, -0.0000490200000000 ] - [ 0.0002742900000000, -0.0007710100000000, 0.0001859700000000 ] - [ 0.0005295400000000, 0.0007745700000000, 0.0005591900000000 ] - [ -0.0005464500000000, 0.0005212000000000, 0.0008420100000000 ] - [ 0.0000548000000000, -0.0000742900000000, -0.0001659600000000 ] - [ -0.0001934700000000, 0.0001180100000000, -0.0002365400000000 ] - [ -0.0000458500000000, -0.0001499000000000, -0.0001465300000000 ] - [ -0.0005360400000000, -0.0005115800000000, 0.0008224200000000 ] - [ 0.0000179000000000, 0.0000730900000000, -0.0001303300000000 ] - [ 0.0000901400000000, -0.0002257700000000, 0.0002270000000000 ] - [ -0.0002196200000000, 0.0003497000000000, 0.0000304200000000 ] - [ -0.0002393400000000, -0.0003385600000000, 0.0000206200000000 ] - [ -0.0000368000000000, 0.0001475000000000, -0.0001398000000000 ] - [ 0.0000880300000000, 0.0002243000000000, 0.0002318700000000 ] - [ -0.0002919400000000, 0.0000700700000000, -0.0000810700000000 ] - [ -0.0001991100000000, -0.0001207200000000, -0.0002318500000000 ] - [ -0.0005384900000000, 0.0007388200000000, -0.0009358000000000 ] - [ -0.0018316500000000, -0.0003250200000000, -0.0058627100000000 ] - [ -0.0004410400000000, 0.0013365300000000, 0.0006664400000000 ] - [ 0.0000148800000000, -0.0006777700000000, 0.0013621300000000 ] - [ -0.0004800400000000, 0.0005833400000000, 0.0006578300000000 ] - [ -0.0003486500000000, 0.0001205600000000, -0.0005411700000000 ] - [ -0.0005742900000000, 0.0000842500000000, 0.0002842800000000 ] - [ -0.0001410200000000, 0.0005652800000000, 0.0005599200000000 ] - [ 0.0003330900000000, -0.0000004300000000, 0.0001484700000000 ] - [ -0.0006605000000000, 0.0001875700000000, 0.0001664600000000 ] - [ 0.0000457600000000, 0.0001034800000000, -0.0004756600000000 ] - [ -0.0003206100000000, -0.0000400000000000, 0.0006273100000000 ] - [ 0.0004146800000000, -0.0006378200000000, 0.0004281100000000 ] - [ 0.0003725400000000, 0.0006414900000000, 0.0003855000000000 ] - [ -0.0025970400000000, -0.0079782000000000, -0.0099409600000000 ] - [ 0.0000349700000000, -0.0000824400000000, -0.0004713500000000 ] - [ -0.0008788300000000, 0.0004578900000000, 0.0010577300000000 ] - [ 0.0023196000000000, 0.0006613200000000, -0.0004689800000000 ] - [ 0.0004137500000000, 0.0003933500000000, -0.0001813200000000 ] - [ 0.0003636700000000, -0.0000065300000000, 0.0000892200000000 ] - [ -0.0007897000000000, -0.0000850300000000, -0.0009564500000000 ] - [ 0.0063961300000000, -0.0005883800000000, -0.0016946600000000 ] - [ -0.0004872100000000, 0.0023735600000000, 0.0078394700000000 ] - [ -0.0004535200000000, 0.0000443300000000, -0.0001561400000000 ] - [ -0.0007416500000000, 0.0036508700000000, 0.0004964100000000 ] - [ 0.0008415200000000, 0.0028654900000000, 0.0012827500000000 ] - [ 0.0003295400000000, -0.0000203700000000, 0.0001136400000000 ] - [ 0.0000489600000000, -0.0004858800000000, 0.0002265400000000 ] - [ -0.0002834600000000, 0.0000066000000000, -0.0002140300000000 ] - [ 0.0003988700000000, -0.0018849400000000, 0.0020179000000000 ] - [ 0.0003255000000000, 0.0009627000000000, -0.0001903300000000 ] - [ -0.0002594900000000, 0.0004962400000000, -0.0000639300000000 ] - [ 0.0047948100000000, -0.0041233700000000, 0.0070264100000000 ] - [ 0.0001801700000000, 0.0005147400000000, 0.0008019400000000 ] - [ -0.0011137100000000, -0.0008815700000000, 0.0011675100000000 ] - [ -0.0005255500000000, -0.0000314000000000, 0.0001555500000000 ] - [ 0.0006403000000000, 0.0002956000000000, -0.0000842700000000 ] - [ 0.0000817600000000, -0.0004194300000000, 0.0000044900000000 ] - [ -0.0002200900000000, -0.0003285600000000, 0.0007831000000000 ] - [ -0.0029985300000000, 0.0040063800000000, 0.0035544100000000 ] - [ 0.0017920600000000, 0.0034076800000000, -0.0006909900000000 ] - [ 0.0004705900000000, 0.0008731300000000, -0.0001925700000000 ] - [ 0.0015799800000000, -0.0061839900000000, 0.0007961800000000 ] - [ 0.0002569500000000, 0.0004673100000000, 0.0005233700000000 ] - [ -0.0048955800000000, -0.0041217300000000, 0.0153695600000000 ] - [ 0.0003183300000000, 0.0005736600000000, 0.0023221300000000 ] - [ -0.0002068900000000, -0.0000568800000000, -0.0000469100000000 ] - [ -0.0003840400000000, -0.0001591700000000, 0.0003058300000000 ] - [ -0.0004151600000000, 0.0001569800000000, -0.0003495700000000 ] - [ -0.0001435500000000, -0.0003913400000000, -0.0001974300000000 ] - [ -0.0000931500000000, -0.0001167000000000, -0.0000162600000000 ] - [ -0.0001616800000000, -0.0001667100000000, 0.0005648900000000 ] - [ 0.0002918000000000, 0.0001355500000000, 0.0001577800000000 ] - [ -0.0003437800000000, 0.0000399300000000, -0.0004460900000000 ] - [ 0.0001082000000000, -0.0003038600000000, -0.0001099100000000 ] - [ 0.0000081200000000, 0.0000359500000000, -0.0001665000000000 ] - [ 0.0003002200000000, 0.0000177900000000, 0.0001343900000000 ] - [ -0.0003157700000000, 0.0001491800000000, 0.0004249900000000 ] - [ 0.0000235400000000, 0.0000694800000000, -0.0005286900000000 ] - [ -0.0003607800000000, -0.0001432200000000, 0.0003969400000000 ] - [ 0.0004364900000000, -0.0005956200000000, 0.0004870900000000 ] - [ 0.0004042400000000, 0.0006542800000000, 0.0003283200000000 ] - [ 0.0001119500000000, 0.0000441800000000, -0.0002332400000000 ] - [ 0.0000977800000000, -0.0001261600000000, -0.0004276100000000 ] - [ 0.0002726200000000, -0.0001297800000000, 0.0000075700000000 ] - [ 0.0002928700000000, -0.0001360700000000, 0.0001557900000000 ] - [ 0.0002308300000000, 0.0003553400000000, -0.0000814000000000 ] - [ 0.0003157100000000, -0.0000202000000000, 0.0000138700000000 ] - [ -0.0004404800000000, -0.0001497700000000, -0.0003517300000000 ] - [ 0.0003201500000000, 0.0001523700000000, -0.0002993600000000 ] - [ -0.0001895400000000, -0.0000771800000000, -0.0003018900000000 ] - [ 0.0003233900000000, 0.0003816900000000, -0.0002463000000000 ] - [ 0.0002721500000000, 0.0001319400000000, 0.0000051400000000 ] - [ 0.0001123000000000, -0.0000450100000000, -0.0002250800000000 ] - [ 0.0003513000000000, 0.0000099700000000, 0.0001771600000000 ] - [ 0.0001296700000000, -0.0004674900000000, 0.0003449500000000 ] - [ 0.0004421400000000, -0.0001334700000000, -0.0002050700000000 ] - [ 0.0003120300000000, -0.0001511900000000, -0.0003013000000000 ] - [ 0.0001172300000000, 0.0003064900000000, -0.0001148700000000 ] - [ -0.0001520600000000, 0.0003968900000000, -0.0001868500000000 ] - [ 0.0004443300000000, 0.0001345000000000, -0.0002079200000000 ] - [ -0.0000759200000000, 0.0004448600000000, 0.0007511500000000 ] - [ -0.0000986300000000, -0.0004336800000000, 0.0001136600000000 ] - [ -0.0002933900000000, -0.0000403300000000, -0.0004574000000000 ] - [ 0.0002861400000000, -0.0000042800000000, -0.0002841100000000 ] - [ 0.0002176500000000, -0.0003776700000000, -0.0000711500000000 ] - [ -0.0000397800000000, -0.0004118800000000, 0.0007849100000000 ] - [ -0.0000952700000000, 0.0004320100000000, 0.0001104600000000 ] - [ 0.0003242700000000, 0.0000231700000000, -0.0000128300000000 ] - [ 0.0003154500000000, -0.0000083000000000, -0.0002911700000000 ] - [ 0.0003250200000000, -0.0003806800000000, -0.0002478500000000 ] - [ 0.0001354700000000, 0.0004676700000000, 0.0003440200000000 ] - [ -0.0000887500000000, 0.0001157000000000, -0.0000160700000000 ] - [ 0.0000077700000000, -0.0000372900000000, -0.0001685400000000 ] - [ -0.0001998700000000, 0.0000720100000000, -0.0002862600000000 ] - [ -0.0001588700000000, 0.0001678500000000, 0.0005774100000000 ]- atom: 9 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0039911100000000, 0.0005690000000000, 0.0064053900000000 ] - [ -0.0009717900000000, -0.0002804100000000, 0.0014307900000000 ] - [ 0.0048453900000000, -0.0014759700000000, 0.0012383400000000 ] - [ 0.0022232300000000, 0.0005693900000000, -0.0010994500000000 ] - [ 0.0000157300000000, 0.0001174300000000, -0.0002863400000000 ] - [ -0.0002987500000000, -0.0002534600000000, 0.0002094100000000 ] - [ -0.0000100400000000, -0.0001190800000000, -0.0003105500000000 ] - [ -0.0003616900000000, 0.0002635000000000, 0.0001267800000000 ] - [ -0.0001760100000000, 0.0125811700000000, -0.1602111200000000 ] - [ -0.0018240900000000, -0.0014409500000000, 0.0172520700000000 ] - [ 0.0008043200000000, 0.0003475600000000, 0.0011601400000000 ] - [ -0.0007618400000000, -0.0001792100000000, -0.0009370200000000 ] - [ 0.0001710700000000, 0.0001513900000000, -0.0003739100000000 ] - [ 0.0001637200000000, -0.0001600600000000, -0.0003240000000000 ] - [ 0.0000612400000000, 0.0001146700000000, 0.0007208800000000 ] - [ -0.0001754600000000, -0.0004233200000000, -0.0006093800000000 ] - [ 0.0023733500000000, -0.0000383400000000, 0.0001850400000000 ] - [ 0.0000358100000000, -0.0006559200000000, 0.0009182000000000 ] - [ 0.0013465300000000, 0.0010065100000000, -0.0000289100000000 ] - [ 0.0015937500000000, 0.0017524300000000, -0.0003554900000000 ] - [ 0.0046720200000000, 0.0013259300000000, 0.0057045200000000 ] - [ 0.0008122700000000, -0.0013351200000000, 0.0128630600000000 ] - [ 0.0207918300000000, -0.0100337500000000, 0.0218841900000000 ] - [ -0.0014827900000000, -0.0000286900000000, 0.0022296600000000 ] - [ -0.0119073700000000, -0.0013873700000000, -0.0134864700000000 ] - [ -0.0029350000000000, 0.0007433500000000, 0.0060946700000000 ] - [ 0.0016940700000000, 0.0003443800000000, 0.0019031300000000 ] - [ -0.0026285100000000, -0.0008522900000000, -0.0007591500000000 ] - [ -0.0123335500000000, 0.0016484500000000, 0.0382862700000000 ] - [ 0.0113353100000000, -0.0018379800000000, -0.0002115100000000 ] - [ -0.0033983300000000, 0.0007188300000000, -0.0002008600000000 ] - [ -0.0190005700000000, -0.0084636000000000, -0.0167289800000000 ] - [ -0.0001320000000000, -0.0000570100000000, -0.0000121300000000 ] - [ 0.0012201100000000, -0.0007881100000000, 0.0007763900000000 ] - [ 0.0000947100000000, 0.0008734400000000, 0.0001078300000000 ] - [ -0.0005439700000000, 0.0003990900000000, 0.0006384300000000 ] - [ 0.0004562300000000, -0.0000098500000000, -0.0000861200000000 ] - [ 0.0000824700000000, 0.0000877700000000, -0.0001827900000000 ] - [ 0.0002482200000000, -0.0000658000000000, -0.0000908800000000 ] - [ 0.0000707600000000, -0.0007801000000000, 0.0010259800000000 ] - [ 0.0005112700000000, 0.0000236700000000, -0.0002537600000000 ] - [ 0.0004652900000000, -0.0002271700000000, 0.0001729300000000 ] - [ 0.0000379200000000, 0.0003871900000000, 0.0001681700000000 ] - [ 0.0001271900000000, -0.0003077600000000, -0.0002297800000000 ] - [ 0.0002457000000000, 0.0000685500000000, -0.0000952000000000 ] - [ 0.0003288600000000, 0.0002110100000000, 0.0001893400000000 ] - [ 0.0002055900000000, 0.0000375500000000, -0.0000674800000000 ] - [ 0.0001211400000000, -0.0000652300000000, -0.0002850100000000 ] - [ 0.0017165700000000, 0.0001131800000000, -0.0005369500000000 ] - [ 0.0039716500000000, 0.0031862400000000, 0.0088887700000000 ] - [ -0.0009178400000000, -0.0071763100000000, -0.0101707300000000 ] - [ -0.0011525200000000, 0.0007017000000000, -0.0002859600000000 ] - [ 0.0016585600000000, -0.0009828000000000, -0.0016980200000000 ] - [ -0.0009688700000000, -0.0004904500000000, -0.0017497700000000 ] - [ -0.0009433600000000, 0.0004740600000000, -0.0012986300000000 ] - [ 0.0017836000000000, 0.0004918000000000, -0.0015931200000000 ] - [ -0.0003455200000000, 0.0002568900000000, 0.0003391900000000 ] - [ 0.0007180600000000, -0.0003429600000000, 0.0011125600000000 ] - [ -0.0005130400000000, 0.0000056100000000, 0.0000962700000000 ] - [ -0.0014470700000000, -0.0006566700000000, -0.0003804500000000 ] - [ 0.0004028900000000, -0.0009004800000000, -0.0001783300000000 ] - [ 0.0002812500000000, 0.0003623200000000, 0.0010134900000000 ] - [ 0.0104591400000000, 0.0124919900000000, 0.0289590700000000 ] - [ 0.0003394500000000, -0.0001113200000000, -0.0011757500000000 ] - [ -0.0054029000000000, -0.0054066900000000, -0.0086630200000000 ] - [ -0.0040462000000000, -0.0021122600000000, 0.0026969100000000 ] - [ -0.0003722300000000, 0.0005772700000000, 0.0004596200000000 ] - [ -0.0007635300000000, -0.0002820000000000, -0.0017599100000000 ] - [ -0.0025273300000000, 0.0003977300000000, -0.0007190500000000 ] - [ 0.0003794400000000, 0.0058283000000000, 0.0128854100000000 ] - [ 0.0018506000000000, 0.0000286800000000, 0.0120159300000000 ] - [ 0.0012585400000000, 0.0002021100000000, -0.0040242000000000 ] - [ 0.0069585600000000, -0.0017971400000000, 0.0002713300000000 ] - [ 0.0022762300000000, 0.0021506100000000, -0.0154332700000000 ] - [ 0.0008475300000000, 0.0002283000000000, 0.0000232200000000 ] - [ 0.0005097300000000, -0.0004496300000000, -0.0002212500000000 ] - [ -0.0012753300000000, 0.0004403200000000, -0.0060705400000000 ] - [ -0.0040288000000000, 0.0046967300000000, -0.0101953700000000 ] - [ 0.0031530400000000, 0.0029430900000000, 0.0007317600000000 ] - [ 0.0001272000000000, -0.0004369600000000, -0.0031946200000000 ] - [ 0.0064508600000000, -0.0021410000000000, 0.0174565900000000 ] - [ -0.0007593400000000, 0.0000603500000000, 0.0009439000000000 ] - [ 0.0028974300000000, 0.0020207600000000, -0.0079082200000000 ] - [ -0.0002418200000000, -0.0007696800000000, 0.0012156100000000 ] - [ -0.0012877900000000, -0.0002140100000000, -0.0008365600000000 ] - [ 0.0004566600000000, -0.0001613600000000, -0.0005399600000000 ] - [ 0.0001863500000000, -0.0005568300000000, 0.0005286800000000 ] - [ -0.0036440200000000, 0.0054878900000000, 0.0173054300000000 ] - [ 0.0009021900000000, -0.0001332400000000, 0.0027404900000000 ] - [ 0.0025288500000000, 0.0005580500000000, 0.0001288100000000 ] - [ -0.0028574900000000, 0.0003568200000000, 0.0085085500000000 ] - [ -0.0004507000000000, 0.0005208400000000, 0.0006155700000000 ] - [ -0.0079056300000000, -0.0137728200000000, 0.0399749500000000 ] - [ -0.0016063000000000, -0.0002360800000000, -0.0009960000000000 ] - [ -0.0003183800000000, 0.0007770500000000, -0.0034305100000000 ] - [ 0.0005987700000000, 0.0004980300000000, 0.0006553400000000 ] - [ -0.0005829800000000, 0.0001271100000000, -0.0003355400000000 ] - [ -0.0003115100000000, -0.0004845400000000, -0.0001368100000000 ] - [ -0.0001737700000000, -0.0001160300000000, -0.0000269200000000 ] - [ -0.0002092100000000, -0.0001261100000000, 0.0004979500000000 ] - [ 0.0000309000000000, 0.0003001400000000, 0.0002088400000000 ] - [ -0.0003917000000000, 0.0000082200000000, -0.0005545500000000 ] - [ -0.0000411800000000, -0.0002407800000000, -0.0001123700000000 ] - [ -0.0000958300000000, 0.0000680800000000, -0.0001443500000000 ] - [ 0.0003488000000000, 0.0000224900000000, 0.0000827500000000 ] - [ -0.0005396300000000, 0.0002151300000000, 0.0004967700000000 ] - [ 0.0001462300000000, 0.0001091000000000, -0.0003937500000000 ] - [ -0.0005928200000000, -0.0001776600000000, 0.0001820300000000 ] - [ 0.0002363300000000, -0.0007308600000000, 0.0002024600000000 ] - [ 0.0003944200000000, 0.0005900400000000, 0.0006173400000000 ] - [ 0.0000200900000000, 0.0000448200000000, -0.0002008100000000 ] - [ -0.0002538500000000, 0.0000196000000000, -0.0005913900000000 ] - [ 0.0001544600000000, -0.0001916000000000, -0.0000193500000000 ] - [ 0.0001869900000000, -0.0001742100000000, 0.0002264700000000 ] - [ 0.0001314700000000, 0.0004348800000000, 0.0001439000000000 ] - [ 0.0000308800000000, -0.0000245800000000, -0.0001272500000000 ] - [ -0.0004970100000000, -0.0001313900000000, -0.0003597900000000 ] - [ 0.0001067400000000, 0.0001376100000000, -0.0003611200000000 ] - [ -0.0003711000000000, -0.0000005200000000, -0.0002445200000000 ] - [ 0.0001071700000000, 0.0003098900000000, -0.0003237900000000 ] - [ 0.0001408700000000, 0.0001857000000000, 0.0000285900000000 ] - [ 0.0000176000000000, -0.0000413200000000, -0.0002229400000000 ] - [ 0.0000991100000000, -0.0000473500000000, 0.0002422300000000 ] - [ -0.0001183200000000, -0.0005725200000000, 0.0003782200000000 ] - [ 0.0002916900000000, -0.0000840200000000, -0.0002262100000000 ] - [ 0.0001090400000000, -0.0001438800000000, -0.0003669900000000 ] - [ -0.0000958400000000, 0.0001729300000000, 0.0000036400000000 ] - [ -0.0003072300000000, 0.0004794000000000, -0.0001722800000000 ] - [ 0.0002813300000000, 0.0000769300000000, -0.0002046300000000 ] - [ 0.0001665700000000, 0.0004479600000000, 0.0008860900000000 ] - [ -0.0002101800000000, -0.0004556700000000, 0.0001254500000000 ] - [ -0.0004998600000000, -0.0000414400000000, -0.0004301900000000 ] - [ 0.0002228200000000, -0.0000355400000000, -0.0002779600000000 ] - [ 0.0000909800000000, -0.0003813000000000, -0.0002467900000000 ] - [ -0.0005997800000000, -0.0002356600000000, 0.0006455000000000 ] - [ -0.0002260300000000, 0.0004721300000000, 0.0001585200000000 ] - [ 0.0001063600000000, 0.0000226400000000, -0.0000160300000000 ] - [ 0.0001208700000000, 0.0000702200000000, -0.0002359100000000 ] - [ 0.0001635500000000, -0.0003384100000000, -0.0002870100000000 ] - [ 0.0001483000000000, 0.0004574800000000, 0.0003528000000000 ] - [ -0.0001838300000000, 0.0001199000000000, -0.0000198900000000 ] - [ -0.0000615600000000, -0.0000647200000000, -0.0001696300000000 ] - [ -0.0003560900000000, 0.0000088700000000, -0.0002965300000000 ] - [ -0.0002936300000000, 0.0001370600000000, 0.0006531700000000 ]- atom: 9 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0039135400000000, -0.0003276900000000, -0.0069523800000000 ] - [ 0.0002771000000000, -0.0002394100000000, -0.0011079400000000 ] - [ -0.0049245900000000, 0.0012561100000000, -0.0018111100000000 ] - [ -0.0029049300000000, -0.0000546000000000, 0.0014695200000000 ] - [ -0.0000428600000000, 0.0001191700000000, -0.0003112200000000 ] - [ -0.0003851600000000, -0.0002650300000000, 0.0001232100000000 ] - [ -0.0000169200000000, -0.0001181700000000, -0.0002869600000000 ] - [ -0.0003225800000000, 0.0002544100000000, 0.0002066000000000 ] - [ 0.0002931400000000, -0.0111434400000000, 0.1598759600000000 ] - [ 0.0020252700000000, 0.0011458000000000, -0.0179807000000000 ] - [ -0.0010072300000000, 0.0001620700000000, -0.0009639600000000 ] - [ 0.0006213500000000, -0.0003216400000000, 0.0011390300000000 ] - [ 0.0000584700000000, 0.0001526000000000, -0.0003267100000000 ] - [ 0.0000655400000000, -0.0001437400000000, -0.0003768300000000 ] - [ -0.0002378300000000, 0.0003936200000000, -0.0005206500000000 ] - [ -0.0000046400000000, -0.0000856400000000, 0.0008108800000000 ] - [ -0.0024153200000000, -0.0000655100000000, -0.0002593600000000 ] - [ 0.0012278000000000, -0.0009595000000000, -0.0001038200000000 ] - [ -0.0000832000000000, 0.0006064400000000, 0.0008718400000000 ] - [ -0.0021633800000000, -0.0006085200000000, 0.0020180300000000 ] - [ -0.0039156300000000, -0.0013848400000000, -0.0060362200000000 ] - [ -0.0006344800000000, 0.0015309200000000, -0.0133261500000000 ] - [ -0.0202904600000000, 0.0096301200000000, -0.0219634200000000 ] - [ 0.0009269200000000, -0.0011228600000000, -0.0005589000000000 ] - [ 0.0128508400000000, 0.0014441400000000, 0.0129307900000000 ] - [ 0.0036696300000000, -0.0011867200000000, -0.0056907500000000 ] - [ -0.0016060200000000, 0.0003430500000000, -0.0019658700000000 ] - [ 0.0027025300000000, 0.0001590100000000, 0.0007248700000000 ] - [ 0.0128871200000000, -0.0015523300000000, -0.0389238100000000 ] - [ -0.0106209100000000, 0.0023010300000000, 0.0005331300000000 ] - [ 0.0033679800000000, -0.0006167300000000, 0.0000636700000000 ] - [ 0.0190865600000000, 0.0082452100000000, 0.0163761600000000 ] - [ 0.0001142400000000, -0.0000432600000000, -0.0000855600000000 ] - [ 0.0000453100000000, -0.0008270800000000, 0.0000489500000000 ] - [ 0.0011715600000000, 0.0007422000000000, 0.0007222200000000 ] - [ -0.0000119600000000, 0.0007530600000000, 0.0010270000000000 ] - [ 0.0003817200000000, -0.0000386500000000, -0.0002445100000000 ] - [ 0.0000322400000000, 0.0000776400000000, -0.0002858700000000 ] - [ 0.0001587000000000, -0.0000920900000000, -0.0001099700000000 ] - [ -0.0006377600000000, -0.0003672100000000, 0.0006437800000000 ] - [ 0.0003261000000000, 0.0000248200000000, -0.0000767600000000 ] - [ 0.0002383000000000, -0.0002148200000000, 0.0002052700000000 ] - [ 0.0000364000000000, 0.0003075900000000, -0.0002175800000000 ] - [ -0.0000488500000000, -0.0003889400000000, 0.0001863800000000 ] - [ 0.0001614800000000, 0.0000889600000000, -0.0001049900000000 ] - [ 0.0003761100000000, 0.0002314600000000, 0.0001864400000000 ] - [ -0.0002244200000000, 0.0000633800000000, -0.0000307900000000 ] - [ -0.0000058100000000, -0.0001001800000000, -0.0001830400000000 ] - [ -0.0027421500000000, 0.0001534800000000, -0.0001349400000000 ] - [ -0.0045974500000000, -0.0042004200000000, -0.0091198200000000 ] - [ 0.0005966900000000, 0.0069191000000000, 0.0101157000000000 ] - [ 0.0006764600000000, -0.0009809000000000, 0.0014469400000000 ] - [ -0.0013926800000000, 0.0014300600000000, 0.0021125000000000 ] - [ 0.0001339600000000, 0.0005441200000000, 0.0007765200000000 ] - [ 0.0008448000000000, -0.0009077000000000, 0.0011762200000000 ] - [ -0.0019124300000000, -0.0003664600000000, 0.0012445300000000 ] - [ 0.0008280200000000, -0.0002077300000000, -0.0000114700000000 ] - [ -0.0017788600000000, 0.0007230100000000, -0.0004112100000000 ] - [ 0.0004138400000000, 0.0001082100000000, -0.0010795500000000 ] - [ 0.0003815900000000, 0.0002777700000000, 0.0010844900000000 ] - [ 0.0002617100000000, -0.0004012300000000, 0.0009985700000000 ] - [ 0.0003755400000000, 0.0009505700000000, -0.0002153500000000 ] - [ -0.0106932300000000, -0.0131754200000000, -0.0317760000000000 ] - [ -0.0004351900000000, -0.0000063900000000, 0.0002120000000000 ] - [ 0.0057006300000000, 0.0050323600000000, 0.0086599900000000 ] - [ 0.0043404900000000, 0.0016696900000000, -0.0022866200000000 ] - [ 0.0006335400000000, 0.0002271000000000, -0.0005685900000000 ] - [ 0.0010000700000000, 0.0002369800000000, 0.0016541400000000 ] - [ 0.0014991500000000, -0.0006707600000000, 0.0000087200000000 ] - [ -0.0001367400000000, -0.0049182700000000, -0.0130210600000000 ] - [ -0.0025484100000000, -0.0000508500000000, -0.0125019800000000 ] - [ -0.0009570300000000, 0.0004455600000000, 0.0034215600000000 ] - [ -0.0066555300000000, 0.0022527900000000, -0.0003259200000000 ] - [ -0.0022261600000000, -0.0022434500000000, 0.0151015800000000 ] - [ -0.0003784700000000, -0.0002784200000000, 0.0003268500000000 ] - [ -0.0004482500000000, -0.0005692500000000, 0.0009399700000000 ] - [ 0.0018758500000000, -0.0006172100000000, 0.0056179300000000 ] - [ 0.0043223100000000, -0.0049804300000000, 0.0095194300000000 ] - [ -0.0032353600000000, -0.0025036000000000, -0.0008637500000000 ] - [ -0.0006726900000000, 0.0013636500000000, 0.0028679100000000 ] - [ -0.0054814000000000, 0.0028447600000000, -0.0183957600000000 ] - [ 0.0003895000000000, 0.0006365200000000, 0.0005776800000000 ] - [ -0.0033212000000000, -0.0029435800000000, 0.0082216000000000 ] - [ -0.0006239800000000, 0.0007036600000000, -0.0021637500000000 ] - [ 0.0016942400000000, 0.0001369100000000, 0.0003018600000000 ] - [ -0.0001984800000000, -0.0006421400000000, 0.0004312600000000 ] - [ -0.0005598700000000, -0.0001386000000000, 0.0009911300000000 ] - [ 0.0032165400000000, -0.0045712600000000, -0.0169759400000000 ] - [ -0.0008086200000000, 0.0001812900000000, -0.0028721100000000 ] - [ -0.0021326600000000, -0.0004567900000000, -0.0006260200000000 ] - [ 0.0033213600000000, -0.0009949300000000, -0.0090152200000000 ] - [ 0.0005134900000000, 0.0004977600000000, 0.0001096400000000 ] - [ 0.0075191400000000, 0.0127781800000000, -0.0380529600000000 ] - [ 0.0014699200000000, 0.0001204000000000, 0.0007232400000000 ] - [ -0.0003316100000000, -0.0007405100000000, 0.0028825800000000 ] - [ -0.0010765800000000, -0.0002275300000000, 0.0004881600000000 ] - [ -0.0004636400000000, 0.0001403700000000, -0.0003584700000000 ] - [ -0.0002606000000000, -0.0004544500000000, -0.0001835200000000 ] - [ -0.0001572800000000, -0.0001174200000000, -0.0000169100000000 ] - [ -0.0002671800000000, -0.0001492700000000, 0.0006553400000000 ] - [ 0.0002409800000000, 0.0001440400000000, 0.0002097100000000 ] - [ -0.0004555400000000, 0.0000450600000000, -0.0004194300000000 ] - [ -0.0000410200000000, -0.0002027200000000, -0.0000144400000000 ] - [ -0.0000365700000000, 0.0000576000000000, -0.0001754000000000 ] - [ 0.0001246600000000, 0.0000287500000000, 0.0002545700000000 ] - [ -0.0005286100000000, 0.0001643300000000, 0.0002022400000000 ] - [ -0.0002457900000000, 0.0000058600000000, -0.0005783900000000 ] - [ -0.0004666100000000, -0.0002016700000000, 0.0005225600000000 ] - [ 0.0004245200000000, -0.0005751200000000, 0.0006102200000000 ] - [ 0.0002665000000000, 0.0007165500000000, 0.0001935900000000 ] - [ 0.0000458900000000, 0.0000419700000000, -0.0002294100000000 ] - [ 0.0001545700000000, -0.0001353200000000, -0.0003793600000000 ] - [ 0.0001764900000000, -0.0001676400000000, 0.0000306600000000 ] - [ 0.0000825600000000, -0.0002717000000000, 0.0001930100000000 ] - [ 0.0001248400000000, 0.0003707400000000, -0.0002526400000000 ] - [ 0.0001738900000000, -0.0000211600000000, 0.0000059100000000 ] - [ -0.0005497400000000, -0.0001358500000000, -0.0003349300000000 ] - [ 0.0001707000000000, 0.0001476700000000, -0.0003478500000000 ] - [ -0.0003065800000000, -0.0000284000000000, -0.0003037200000000 ] - [ 0.0002200100000000, 0.0003555800000000, -0.0002697400000000 ] - [ 0.0001901700000000, 0.0001735300000000, -0.0000172800000000 ] - [ 0.0000482000000000, -0.0000452800000000, -0.0002066800000000 ] - [ 0.0003745400000000, -0.0000034400000000, 0.0000964500000000 ] - [ 0.0001803800000000, -0.0004477300000000, 0.0003394700000000 ] - [ 0.0003282400000000, -0.0000938000000000, -0.0002015600000000 ] - [ 0.0001680600000000, -0.0001419200000000, -0.0003420700000000 ] - [ 0.0000126200000000, 0.0002702400000000, -0.0001312800000000 ] - [ -0.0002650100000000, 0.0004594700000000, -0.0001479500000000 ] - [ 0.0003385400000000, 0.0001008500000000, -0.0002234600000000 ] - [ -0.0005440300000000, 0.0002455000000000, 0.0006381900000000 ] - [ -0.0001904600000000, -0.0004623200000000, 0.0001484700000000 ] - [ -0.0003469800000000, -0.0000116900000000, -0.0005435100000000 ] - [ 0.0001598700000000, -0.0000531600000000, -0.0002453000000000 ] - [ 0.0001704300000000, -0.0004211600000000, 0.0001386100000000 ] - [ 0.0002338300000000, -0.0004618800000000, 0.0008732500000000 ] - [ -0.0001749600000000, 0.0004456700000000, 0.0001151500000000 ] - [ 0.0000993300000000, 0.0000236000000000, -0.0001059100000000 ] - [ 0.0002618200000000, 0.0000182500000000, -0.0002877300000000 ] - [ 0.0001632100000000, -0.0003271500000000, -0.0003060700000000 ] - [ -0.0000861300000000, 0.0005593700000000, 0.0003716300000000 ] - [ -0.0001478500000000, 0.0001138700000000, -0.0000241000000000 ] - [ -0.0000709100000000, -0.0000603900000000, -0.0001486300000000 ] - [ -0.0003218100000000, 0.0000200000000000, -0.0002515900000000 ] - [ -0.0001824000000000, 0.0001374900000000, 0.0004957500000000 ]- atom: 11 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0008733800000000, 0.0002351900000000, -0.0025882600000000 ] - [ -0.0006386200000000, -0.0005994300000000, -0.0044734700000000 ] - [ 0.0008130100000000, -0.0001114200000000, 0.0011153500000000 ] - [ -0.0022122100000000, 0.0002263000000000, 0.0016902500000000 ] - [ 0.0013653000000000, 0.0001147400000000, -0.0002213700000000 ] - [ 0.0007242400000000, -0.0001821500000000, 0.0003515600000000 ] - [ 0.0012529600000000, -0.0000860100000000, -0.0003206900000000 ] - [ 0.0006987100000000, 0.0001838100000000, 0.0003330300000000 ] - [ 0.0006320400000000, 0.0004944400000000, 0.0005673100000000 ] - [ 0.0084132800000000, -0.0004088900000000, -0.0009236500000000 ] - [ -0.1102936900000000, 0.0179617300000000, 0.0056406400000000 ] - [ -0.0105270900000000, -0.0002978700000000, -0.0000500700000000 ] - [ 0.0039690900000000, 0.0003884400000000, -0.0001440500000000 ] - [ 0.0047903400000000, -0.0005208800000000, -0.0003657800000000 ] - [ 0.0044110600000000, 0.0000197400000000, 0.0001103900000000 ] - [ 0.0043236000000000, -0.0000285300000000, 0.0001446200000000 ] - [ -0.0093882700000000, 0.0024281800000000, 0.0182249900000000 ] - [ -0.0146875800000000, 0.0020417200000000, 0.0052072300000000 ] - [ -0.0156751100000000, 0.0019404000000000, -0.0084186000000000 ] - [ 0.0032079200000000, 0.0014083100000000, 0.0008953100000000 ] - [ 0.0317138500000000, 0.0039159700000000, 0.0114466900000000 ] - [ 0.0044304700000000, -0.0006061200000000, -0.0012786600000000 ] - [ 0.0017059700000000, -0.0001523600000000, -0.0024081800000000 ] - [ 0.0034442400000000, -0.0015154300000000, 0.0009572200000000 ] - [ -0.0035438400000000, 0.0005150400000000, -0.0004449300000000 ] - [ 0.0045215500000000, -0.0000153100000000, -0.0000096900000000 ] - [ 0.0037386200000000, 0.0002007000000000, -0.0010022100000000 ] - [ 0.0036176300000000, -0.0002758500000000, -0.0005118300000000 ] - [ 0.0051801400000000, -0.0024952300000000, 0.0038557800000000 ] - [ 0.0034892000000000, 0.0001856700000000, -0.0007433500000000 ] - [ -0.0073600000000000, -0.0000748500000000, -0.0080472600000000 ] - [ 0.0027338500000000, 0.0001957500000000, 0.0007669800000000 ] - [ 0.0032107100000000, 0.0001638700000000, 0.0001564100000000 ] - [ 0.0037914400000000, -0.0010700600000000, 0.0007933400000000 ] - [ 0.0038209600000000, 0.0010790300000000, 0.0008467100000000 ] - [ -0.0075428700000000, -0.0002230400000000, 0.0048218600000000 ] - [ 0.0058655700000000, 0.0006725100000000, -0.0004820800000000 ] - [ 0.0055961700000000, -0.0013528400000000, 0.0008258300000000 ] - [ 0.0037160100000000, 0.0010278400000000, 0.0011836200000000 ] - [ 0.0137321100000000, -0.0077126400000000, -0.0180738400000000 ] - [ 0.0057084300000000, -0.0006581400000000, -0.0003202700000000 ] - [ 0.0054772700000000, -0.0006539800000000, -0.0041370500000000 ] - [ 0.0189437600000000, 0.0046429600000000, 0.0144704200000000 ] - [ -0.0026317400000000, 0.0002756200000000, -0.0060007000000000 ] - [ 0.0034844300000000, -0.0007704100000000, -0.0001624900000000 ] - [ 0.0015022900000000, -0.0010578200000000, 0.0036068600000000 ] - [ 0.0031928700000000, -0.0001536400000000, 0.0001949200000000 ] - [ 0.0020136200000000, -0.0000969800000000, -0.0010494600000000 ] - [ 0.0021254000000000, 0.0007671700000000, 0.0023521100000000 ] - [ 0.0007018700000000, 0.0001558200000000, -0.0008125500000000 ] - [ -0.0016791400000000, -0.0003038200000000, -0.0010235700000000 ] - [ -0.0012904200000000, 0.0002419600000000, 0.0007719600000000 ] - [ -0.0022419100000000, 0.0015072400000000, 0.0009347900000000 ] - [ 0.0107346500000000, 0.0000415500000000, -0.0078609400000000 ] - [ -0.0023290700000000, 0.0010666400000000, 0.0007581700000000 ] - [ -0.0011210800000000, 0.0004631200000000, -0.0003095400000000 ] - [ 0.0130655500000000, -0.0047508200000000, 0.0059433200000000 ] - [ -0.0029178700000000, 0.0008236800000000, -0.0003077000000000 ] - [ 0.0064994800000000, 0.0024226200000000, -0.0006910700000000 ] - [ -0.0029556300000000, -0.0008030400000000, -0.0002503400000000 ] - [ 0.0084271400000000, -0.0022144800000000, -0.0016046500000000 ] - [ 0.0056654700000000, -0.0008463200000000, -0.0004699800000000 ] - [ -0.0002701900000000, -0.0000354800000000, -0.0023455900000000 ] - [ 0.0130438200000000, 0.0025307000000000, -0.0041848000000000 ] - [ -0.0010212700000000, -0.0002654900000000, 0.0009187700000000 ] - [ -0.0018662900000000, -0.0013538200000000, 0.0008620600000000 ] - [ -0.0011255500000000, 0.0007309300000000, 0.0001671400000000 ] - [ 0.0214302700000000, -0.0102747900000000, -0.0073259500000000 ] - [ -0.0006068800000000, 0.0011574300000000, -0.0043029400000000 ] - [ 0.0006380400000000, 0.0003361300000000, 0.0004550600000000 ] - [ 0.0005184400000000, -0.0005879100000000, -0.0012794200000000 ] - [ -0.0029208200000000, -0.0004254800000000, -0.0011628500000000 ] - [ -0.0015850500000000, 0.0014885900000000, -0.0009847700000000 ] - [ -0.0015649100000000, -0.0001017500000000, 0.0024706800000000 ] - [ 0.0038581500000000, 0.0004328300000000, 0.0002397300000000 ] - [ -0.0014660200000000, -0.0011472600000000, 0.0005301200000000 ] - [ -0.0021976300000000, 0.0008036700000000, 0.0003138200000000 ] - [ -0.0064194800000000, -0.0001605100000000, -0.0034569900000000 ] - [ -0.0020367500000000, -0.0008682400000000, 0.0005228400000000 ] - [ -0.0071205300000000, 0.0046727900000000, 0.0013798600000000 ] - [ -0.0008697700000000, -0.0003076000000000, -0.0009186100000000 ] - [ -0.0021926200000000, -0.0005182200000000, 0.0004537500000000 ] - [ -0.0023766100000000, -0.0013182500000000, 0.0008549200000000 ] - [ 0.0024276700000000, -0.0011224000000000, 0.0018545100000000 ] - [ 0.0010492900000000, -0.0003791300000000, -0.0050474600000000 ] - [ -0.0011769500000000, -0.0007311700000000, 0.0001812700000000 ] - [ -0.0022663900000000, 0.0005494100000000, 0.0004422700000000 ] - [ -0.0009384500000000, 0.0004073200000000, 0.0002049600000000 ] - [ 0.0045373500000000, 0.0000703500000000, -0.0001640700000000 ] - [ 0.0022221200000000, -0.0003933900000000, 0.0012112700000000 ] - [ -0.0013419900000000, 0.0003338400000000, -0.0008688300000000 ] - [ -0.0014364100000000, 0.0011426900000000, 0.0006101000000000 ] - [ -0.0003081000000000, -0.0002373500000000, 0.0006532800000000 ] - [ -0.0010789700000000, -0.0003167200000000, 0.0003300300000000 ] - [ -0.0067455200000000, -0.0042950200000000, 0.0013268400000000 ] - [ -0.0013543900000000, -0.0003783300000000, 0.0005265100000000 ] - [ -0.0018621000000000, -0.0001193000000000, -0.0003069800000000 ] - [ -0.0021756300000000, -0.0015014800000000, 0.0002585100000000 ] - [ -0.0012113600000000, -0.0000681300000000, 0.0001152000000000 ] - [ -0.0009612000000000, 0.0021444700000000, -0.0081796900000000 ] - [ -0.0041041800000000, 0.0023507100000000, 0.0024074900000000 ] - [ -0.0018701600000000, -0.0001586600000000, -0.0009937700000000 ] - [ -0.0057435100000000, 0.0022427200000000, 0.0013103800000000 ] - [ -0.0008638300000000, -0.0004668800000000, 0.0017935400000000 ] - [ -0.0009652800000000, 0.0003031800000000, 0.0003954700000000 ] - [ 0.0043250700000000, -0.0013021100000000, 0.0022886300000000 ] - [ -0.0016416200000000, -0.0004451400000000, -0.0005640900000000 ] - [ 0.0035105600000000, -0.0055420500000000, -0.0011963900000000 ] - [ -0.0008882300000000, -0.0009909000000000, 0.0003712200000000 ] - [ -0.0008849000000000, 0.0009948600000000, 0.0003586500000000 ] - [ -0.0011010700000000, 0.0000578300000000, 0.0001435000000000 ] - [ -0.0016402800000000, 0.0004358400000000, -0.0005561400000000 ] - [ -0.0015556600000000, -0.0009579100000000, -0.0010144800000000 ] - [ 0.0015607400000000, 0.0009759200000000, -0.0002615900000000 ] - [ 0.0035105200000000, -0.0009052600000000, -0.0012594200000000 ] - [ -0.0029879100000000, -0.0000535700000000, -0.0009481900000000 ] - [ -0.0018501300000000, 0.0001171800000000, -0.0002708100000000 ] - [ -0.0023624600000000, -0.0000673400000000, -0.0012504300000000 ] - [ -0.0023081700000000, 0.0007959400000000, -0.0000433500000000 ] - [ -0.0024696800000000, -0.0002775900000000, -0.0006256900000000 ] - [ -0.0010764300000000, 0.0007681600000000, 0.0007546700000000 ] - [ -0.0011011000000000, 0.0000312400000000, -0.0002317800000000 ] - [ -0.0009523100000000, -0.0002974300000000, 0.0003960700000000 ] - [ 0.0030947500000000, 0.0052535800000000, 0.0102989400000000 ] - [ -0.0020970800000000, 0.0007054300000000, -0.0005290300000000 ] - [ -0.0023253600000000, -0.0001034500000000, -0.0009568900000000 ] - [ -0.0001819400000000, -0.0002620700000000, 0.0008005100000000 ] - [ -0.0022954600000000, 0.0015584200000000, 0.0003069500000000 ] - [ -0.0010902300000000, -0.0004162300000000, -0.0002204300000000 ] - [ 0.0050192200000000, 0.0027599000000000, 0.0012226000000000 ] - [ -0.0020348500000000, -0.0007382400000000, 0.0006037500000000 ] - [ -0.0018398800000000, 0.0001682400000000, -0.0010170200000000 ] - [ -0.0013392800000000, -0.0007031900000000, 0.0001180300000000 ] - [ 0.0029875000000000, -0.0032220400000000, 0.0008763700000000 ] - [ 0.0145893700000000, -0.0084563700000000, -0.0008370400000000 ] - [ -0.0013323000000000, 0.0008695900000000, 0.0004732600000000 ] - [ -0.0028975200000000, 0.0000541900000000, -0.0009344600000000 ] - [ -0.0013212300000000, 0.0006787800000000, 0.0000757000000000 ] - [ -0.0015046600000000, 0.0004406500000000, -0.0013369400000000 ] - [ 0.0042581800000000, -0.0022644600000000, -0.0024506700000000 ] - [ -0.0012260800000000, 0.0002090200000000, -0.0002771900000000 ] - [ -0.0011597900000000, -0.0016331400000000, -0.0024162600000000 ] - [ -0.0024606700000000, -0.0008699800000000, 0.0000385400000000 ] - [ -0.0008995100000000, 0.0006992800000000, 0.0053437900000000 ]- atom: 11 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0009034800000000, 0.0000016900000000, 0.0019748300000000 ] - [ -0.0000604800000000, 0.0000831200000000, 0.0047677100000000 ] - [ -0.0008471800000000, -0.0001255700000000, -0.0017048900000000 ] - [ 0.0015134000000000, 0.0002916900000000, -0.0013532000000000 ] - [ -0.0013929400000000, 0.0001225100000000, -0.0003766100000000 ] - [ -0.0014079500000000, -0.0003364400000000, -0.0000194300000000 ] - [ -0.0012800900000000, -0.0001514000000000, -0.0002768300000000 ] - [ -0.0013823900000000, 0.0003342200000000, -0.0000008400000000 ] - [ -0.0004311000000000, -0.0001898200000000, -0.0012602200000000 ] - [ -0.0081627500000000, 0.0001138900000000, 0.0002155800000000 ] - [ 0.1093624700000000, -0.0176447400000000, -0.0053231900000000 ] - [ 0.0103355600000000, -0.0001985600000000, 0.0002672800000000 ] - [ -0.0037415000000000, -0.0000843100000000, -0.0005563700000000 ] - [ -0.0045660300000000, 0.0002173400000000, -0.0003327200000000 ] - [ -0.0045900400000000, 0.0004887800000000, 0.0000891100000000 ] - [ -0.0045027600000000, -0.0004804200000000, 0.0000552900000000 ] - [ 0.0092711200000000, -0.0025194700000000, -0.0182765300000000 ] - [ 0.0160932000000000, -0.0035972300000000, -0.0042583900000000 ] - [ 0.0169484000000000, -0.0003184600000000, 0.0091652000000000 ] - [ -0.0037753600000000, -0.0002567300000000, 0.0007692500000000 ] - [ -0.0305148200000000, -0.0039841000000000, -0.0116717600000000 ] - [ -0.0043101000000000, 0.0007735700000000, 0.0008041300000000 ] - [ -0.0013134100000000, -0.0000136300000000, 0.0021880200000000 ] - [ -0.0040104100000000, 0.0003631700000000, 0.0007072100000000 ] - [ 0.0043271000000000, -0.0004589800000000, 0.0001199000000000 ] - [ -0.0038181700000000, -0.0004179500000000, 0.0003901600000000 ] - [ -0.0036635900000000, 0.0004872200000000, 0.0009553600000000 ] - [ -0.0035434500000000, -0.0004124100000000, 0.0004688700000000 ] - [ -0.0047587300000000, 0.0026315700000000, -0.0040259400000000 ] - [ -0.0027940700000000, 0.0002491400000000, 0.0011190400000000 ] - [ 0.0072351300000000, 0.0001641000000000, 0.0079406700000000 ] - [ -0.0026253200000000, -0.0003660700000000, -0.0012248400000000 ] - [ -0.0032296300000000, -0.0002641000000000, -0.0002510000000000 ] - [ -0.0025279800000000, -0.0005473100000000, 0.0000352000000000 ] - [ -0.0025575000000000, 0.0005382600000000, -0.0000177000000000 ] - [ 0.0070105100000000, 0.0013866800000000, -0.0031756200000000 ] - [ -0.0050267900000000, -0.0007213100000000, 0.0001526900000000 ] - [ -0.0054884400000000, 0.0015217600000000, -0.0012919900000000 ] - [ -0.0033116100000000, -0.0011866500000000, -0.0013868100000000 ] - [ -0.0143521200000000, 0.0065595200000000, 0.0198863400000000 ] - [ -0.0048693900000000, 0.0007068900000000, -0.0000099900000000 ] - [ -0.0047896600000000, 0.0002280000000000, 0.0045377500000000 ] - [ -0.0190774800000000, -0.0039447800000000, -0.0146548300000000 ] - [ 0.0027323600000000, -0.0009645100000000, 0.0059610900000000 ] - [ -0.0030776400000000, 0.0009279700000000, -0.0000348900000000 ] - [ -0.0007905000000000, 0.0014943800000000, -0.0032531600000000 ] - [ -0.0032120600000000, 0.0002537300000000, -0.0002898700000000 ] - [ -0.0018901000000000, -0.0000691000000000, 0.0005850500000000 ] - [ -0.0031360200000000, -0.0004894000000000, -0.0030247400000000 ] - [ -0.0012560900000000, -0.0010850800000000, 0.0004846900000000 ] - [ 0.0013457300000000, 0.0000702400000000, 0.0009777700000000 ] - [ 0.0008139500000000, -0.0005135100000000, 0.0003741300000000 ] - [ 0.0025170100000000, -0.0010659000000000, -0.0005207300000000 ] - [ -0.0111833100000000, 0.0003233800000000, 0.0070297300000000 ] - [ 0.0022419800000000, -0.0015063500000000, -0.0008804700000000 ] - [ 0.0009886500000000, -0.0003409800000000, -0.0000058800000000 ] - [ -0.0127071500000000, 0.0048409600000000, -0.0056685200000000 ] - [ 0.0018567500000000, -0.0004489900000000, 0.0010110100000000 ] - [ -0.0065579500000000, -0.0022698300000000, -0.0002626400000000 ] - [ 0.0018942000000000, 0.0004287300000000, 0.0009543200000000 ] - [ -0.0078192200000000, 0.0009448400000000, 0.0024579700000000 ] - [ -0.0049707300000000, 0.0020957500000000, 0.0013215900000000 ] - [ 0.0003396500000000, 0.0001212500000000, 0.0018967000000000 ] - [ -0.0132059900000000, -0.0027107800000000, 0.0032100100000000 ] - [ 0.0013557300000000, -0.0000904200000000, -0.0009030400000000 ] - [ 0.0021442300000000, 0.0009137100000000, -0.0004488100000000 ] - [ 0.0013839700000000, 0.0000724500000000, -0.0002807800000000 ] - [ -0.0193923800000000, 0.0096107700000000, 0.0069175600000000 ] - [ -0.0004152300000000, -0.0014333100000000, 0.0036008200000000 ] - [ -0.0003425500000000, -0.0000479000000000, -0.0011535400000000 ] - [ -0.0011790600000000, 0.0005506800000000, 0.0007229000000000 ] - [ 0.0032407300000000, 0.0010864300000000, 0.0005683800000000 ] - [ 0.0019144300000000, -0.0011220000000000, 0.0009858600000000 ] - [ 0.0016231300000000, 0.0000162000000000, -0.0028846200000000 ] - [ -0.0033550300000000, -0.0004880100000000, -0.0000121400000000 ] - [ 0.0015279600000000, 0.0001310400000000, 0.0001950100000000 ] - [ 0.0028139800000000, -0.0009799300000000, -0.0007420400000000 ] - [ 0.0066455400000000, -0.0001293600000000, 0.0027251400000000 ] - [ 0.0019514500000000, 0.0013088000000000, -0.0006469900000000 ] - [ 0.0065776300000000, -0.0037444700000000, -0.0016892400000000 ] - [ 0.0014953300000000, 0.0004869600000000, 0.0004816500000000 ] - [ 0.0018226900000000, 0.0012153400000000, 0.0010727500000000 ] - [ 0.0019727300000000, 0.0003963200000000, -0.0005731300000000 ] - [ -0.0032522900000000, 0.0010677400000000, -0.0028319700000000 ] - [ -0.0006202400000000, 0.0003380000000000, 0.0045064800000000 ] - [ 0.0014352300000000, -0.0000720700000000, -0.0002948100000000 ] - [ 0.0018962200000000, -0.0012466800000000, 0.0010839500000000 ] - [ 0.0005444000000000, 0.0005081500000000, 0.0000704300000000 ] - [ -0.0042957100000000, -0.0000217500000000, 0.0000406700000000 ] - [ -0.0018064400000000, 0.0004714300000000, -0.0017307800000000 ] - [ 0.0016743300000000, -0.0009961800000000, 0.0002759000000000 ] - [ 0.0014985700000000, -0.0001262800000000, 0.0001150600000000 ] - [ -0.0000180000000000, 0.0004698900000000, -0.0006901600000000 ] - [ 0.0009469800000000, 0.0001955000000000, -0.0006412200000000 ] - [ 0.0060381000000000, 0.0043104900000000, -0.0018750300000000 ] - [ 0.0008777000000000, 0.0006482900000000, 0.0006172300000000 ] - [ 0.0008163900000000, 0.0003881400000000, -0.0003866600000000 ] - [ 0.0016034500000000, 0.0005624300000000, -0.0005796400000000 ] - [ 0.0008793800000000, -0.0001667600000000, -0.0001569500000000 ] - [ 0.0004761100000000, -0.0024275300000000, 0.0093370900000000 ] - [ 0.0043964200000000, -0.0019104800000000, -0.0020060300000000 ] - [ 0.0010261700000000, 0.0002137200000000, 0.0000184500000000 ] - [ 0.0056428500000000, -0.0026949500000000, -0.0014273300000000 ] - [ 0.0007295500000000, 0.0005923300000000, -0.0021154000000000 ] - [ 0.0014430000000000, -0.0002554500000000, -0.0000554800000000 ] - [ -0.0054032000000000, 0.0016856600000000, -0.0015881200000000 ] - [ 0.0015454700000000, 0.0005605200000000, -0.0004105600000000 ] - [ -0.0055081500000000, 0.0054790600000000, 0.0015085300000000 ] - [ 0.0015521700000000, -0.0003134300000000, 0.0004389300000000 ] - [ 0.0015489100000000, 0.0003097600000000, 0.0004508400000000 ] - [ 0.0011634900000000, 0.0000276400000000, -0.0005768700000000 ] - [ 0.0015444200000000, -0.0005514400000000, -0.0004181500000000 ] - [ 0.0018888800000000, 0.0005979400000000, 0.0010262700000000 ] - [ -0.0012995300000000, -0.0014265800000000, 0.0006818000000000 ] - [ -0.0032614600000000, 0.0017068100000000, 0.0011479600000000 ] - [ 0.0031956100000000, 0.0000055700000000, 0.0008232100000000 ] - [ 0.0008037800000000, -0.0003860800000000, -0.0004230500000000 ] - [ 0.0026382400000000, 0.0003537500000000, 0.0005429100000000 ] - [ 0.0016286800000000, -0.0008246900000000, -0.0005058600000000 ] - [ 0.0027977100000000, 0.0009382200000000, 0.0000294000000000 ] - [ 0.0014067700000000, -0.0004070100000000, -0.0007486700000000 ] - [ 0.0011636300000000, -0.0001167500000000, -0.0001997200000000 ] - [ 0.0014302400000000, 0.0002500000000000, -0.0000558000000000 ] - [ -0.0030565200000000, -0.0062301200000000, -0.0095803200000000 ] - [ 0.0027192800000000, -0.0008832200000000, 0.0000964000000000 ] - [ 0.0026003400000000, -0.0001821000000000, 0.0002480100000000 ] - [ 0.0000850200000000, 0.0006973700000000, -0.0009195800000000 ] - [ 0.0017238700000000, -0.0006197400000000, -0.0006283300000000 ] - [ 0.0017087900000000, 0.0005931800000000, -0.0002125600000000 ] - [ -0.0054043500000000, -0.0020782800000000, 0.0002901500000000 ] - [ 0.0016361900000000, -0.0001798400000000, -0.0003255300000000 ] - [ 0.0009958300000000, -0.0002231700000000, 0.0000418800000000 ] - [ 0.0017233000000000, 0.0006144200000000, -0.0006415900000000 ] - [ -0.0029778500000000, 0.0021814800000000, -0.0009827100000000 ] - [ -0.0151624500000000, 0.0080763500000000, 0.0026779800000000 ] - [ 0.0009316000000000, 0.0000490900000000, -0.0001942500000000 ] - [ 0.0031056400000000, -0.0000056200000000, 0.0008089200000000 ] - [ 0.0017051200000000, -0.0005899900000000, -0.0005994800000000 ] - [ 0.0018298200000000, -0.0011031100000000, 0.0007463600000000 ] - [ -0.0042296900000000, 0.0033010600000000, 0.0031952000000000 ] - [ 0.0008935200000000, 0.0000257200000000, 0.0002369500000000 ] - [ 0.0010309300000000, 0.0015234100000000, 0.0021213200000000 ] - [ 0.0017819600000000, 0.0008989300000000, -0.0005882200000000 ] - [ 0.0004128400000000, -0.0004355600000000, -0.0042062200000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002103100000000, 0.0000718600000000, -0.0000357000000000 ] - [ 0.0004626100000000, 0.0024540700000000, -0.0003197000000000 ] - [ 0.0005028600000000, -0.0000576200000000, -0.0001581500000000 ] - [ -0.0008422200000000, 0.0001834600000000, 0.0005117600000000 ] - [ -0.0001150000000000, 0.0001149800000000, -0.0003090400000000 ] - [ -0.0004023600000000, -0.0002634700000000, 0.0001581700000000 ] - [ -0.0000556900000000, -0.0001241600000000, -0.0002934700000000 ] - [ -0.0003927200000000, 0.0002629900000000, 0.0001556600000000 ] - [ 0.0002355100000000, 0.0001172400000000, -0.0002557400000000 ] - [ -0.0004081700000000, -0.0001337700000000, -0.0004281400000000 ] - [ 0.0177216100000000, -0.0795032500000000, -0.0063621000000000 ] - [ -0.0000404000000000, -0.0003484800000000, -0.0008134900000000 ] - [ -0.0000419000000000, 0.0001243700000000, -0.0004910000000000 ] - [ -0.0001622200000000, -0.0001677700000000, -0.0001858000000000 ] - [ -0.0003285500000000, 0.0002675600000000, 0.0001009500000000 ] - [ -0.0003198400000000, -0.0002656300000000, 0.0000955700000000 ] - [ 0.0016971300000000, 0.0083754400000000, 0.0129803900000000 ] - [ -0.0030624000000000, 0.0353631200000000, -0.0012777200000000 ] - [ 0.0054530700000000, -0.0029270200000000, -0.0075523200000000 ] - [ -0.0004621300000000, 0.0005325700000000, 0.0008353300000000 ] - [ -0.0044517200000000, -0.0050093200000000, -0.0067333900000000 ] - [ -0.0002443300000000, 0.0001471100000000, -0.0001390800000000 ] - [ 0.0001107700000000, -0.0000482500000000, 0.0001745600000000 ] - [ -0.0004834500000000, -0.0005230600000000, 0.0008198000000000 ] - [ 0.0002167400000000, 0.0001406600000000, 0.0002040800000000 ] - [ 0.0001059900000000, -0.0002451900000000, 0.0001413900000000 ] - [ -0.0001674600000000, 0.0003569000000000, 0.0000425300000000 ] - [ -0.0001383600000000, -0.0003457500000000, -0.0000126000000000 ] - [ 0.0000552900000000, 0.0005240900000000, -0.0007231000000000 ] - [ 0.0002031900000000, 0.0002196400000000, 0.0002718600000000 ] - [ 0.0001950300000000, -0.0030994400000000, 0.0002619900000000 ] - [ 0.0000150100000000, -0.0000719900000000, -0.0002915600000000 ] - [ -0.0001724000000000, -0.0000616100000000, -0.0000562300000000 ] - [ 0.0004650800000000, -0.0007942400000000, 0.0003969700000000 ] - [ 0.0004673800000000, 0.0007937700000000, 0.0003901700000000 ] - [ 0.0015586700000000, -0.0001153400000000, -0.0004925700000000 ] - [ 0.0001381600000000, -0.0000566700000000, -0.0001120600000000 ] - [ -0.0009665900000000, 0.0006335900000000, -0.0001425800000000 ] - [ -0.0001183700000000, -0.0001726600000000, -0.0003642100000000 ] - [ -0.0099150800000000, 0.0240337500000000, -0.0064278700000000 ] - [ 0.0001331000000000, 0.0000638600000000, -0.0001950700000000 ] - [ 0.0005557300000000, -0.0005914400000000, 0.0011629100000000 ] - [ -0.0018520900000000, -0.0015160600000000, -0.0015753300000000 ] - [ 0.0011304100000000, -0.0001959500000000, -0.0007326600000000 ] - [ 0.0001520600000000, 0.0001177700000000, 0.0000764300000000 ] - [ 0.0004533900000000, 0.0005513000000000, -0.0010502800000000 ] - [ -0.0001830000000000, 0.0000609600000000, -0.0000636300000000 ] - [ 0.0005245600000000, 0.0000841000000000, -0.0003583400000000 ] - [ -0.0006707200000000, 0.0007857600000000, -0.0000257100000000 ] - [ -0.0002998100000000, -0.0004774200000000, -0.0003005500000000 ] - [ -0.0002473100000000, -0.0001645400000000, 0.0001840100000000 ] - [ -0.0001820500000000, -0.0001535400000000, 0.0005561500000000 ] - [ 0.0002745600000000, 0.0001506100000000, 0.0001718600000000 ] - [ -0.0010577300000000, 0.0019025400000000, -0.0065639900000000 ] - [ 0.0000913000000000, -0.0002977800000000, -0.0001108100000000 ] - [ -0.0000171700000000, 0.0000322400000000, -0.0001195600000000 ] - [ -0.0034490400000000, 0.0088292000000000, -0.0061295500000000 ] - [ -0.0004095500000000, 0.0001554500000000, 0.0003868500000000 ] - [ 0.0009686100000000, 0.0029378400000000, 0.0014415300000000 ] - [ -0.0003992700000000, -0.0001552400000000, 0.0003828100000000 ] - [ -0.0045715600000000, 0.0055825200000000, 0.0143652500000000 ] - [ 0.0009369300000000, -0.0017499000000000, 0.0018820300000000 ] - [ -0.0001921100000000, 0.0000314300000000, -0.0000115800000000 ] - [ 0.0092824700000000, 0.0039324900000000, -0.0040851700000000 ] - [ 0.0002281400000000, -0.0001984100000000, -0.0000778900000000 ] - [ 0.0002385600000000, -0.0001625000000000, 0.0001696100000000 ] - [ 0.0001951000000000, 0.0003839200000000, -0.0000679600000000 ] - [ -0.0035791200000000, 0.0076356500000000, 0.0040086200000000 ] - [ -0.0022849900000000, 0.0018118100000000, -0.0025934300000000 ] - [ 0.0000690800000000, 0.0000882300000000, -0.0004808600000000 ] - [ -0.0003831200000000, -0.0000931000000000, -0.0006637100000000 ] - [ 0.0004038100000000, 0.0003792700000000, -0.0002110700000000 ] - [ 0.0002410200000000, 0.0000840700000000, 0.0001151700000000 ] - [ 0.0001610800000000, -0.0000367200000000, -0.0004769500000000 ] - [ 0.0007749500000000, -0.0033391800000000, -0.0006905100000000 ] - [ 0.0001098600000000, -0.0004754100000000, 0.0003569700000000 ] - [ 0.0004902500000000, -0.0001645200000000, -0.0002798700000000 ] - [ 0.0011900500000000, 0.0000470200000000, 0.0002312700000000 ] - [ 0.0000436800000000, 0.0002636400000000, -0.0000885400000000 ] - [ 0.0010377900000000, -0.0005898600000000, 0.0004347000000000 ] - [ 0.0002830100000000, 0.0000841600000000, -0.0001935600000000 ] - [ -0.0000802000000000, 0.0003934600000000, 0.0007776500000000 ] - [ -0.0000347600000000, -0.0003690100000000, 0.0001165500000000 ] - [ -0.0001363700000000, -0.0002514100000000, -0.0007395500000000 ] - [ -0.0019265600000000, -0.0042230100000000, -0.0000965600000000 ] - [ 0.0001996600000000, -0.0003851400000000, -0.0000678900000000 ] - [ -0.0000745900000000, -0.0003961000000000, 0.0007796400000000 ] - [ -0.0001878000000000, 0.0004708600000000, 0.0001124900000000 ] - [ 0.0004647300000000, 0.0000372200000000, -0.0003749300000000 ] - [ -0.0002884200000000, 0.0004103600000000, -0.0005969400000000 ] - [ 0.0002135500000000, -0.0003649600000000, -0.0002877400000000 ] - [ 0.0001091800000000, 0.0004755100000000, 0.0003439100000000 ] - [ -0.0001725100000000, 0.0001581200000000, -0.0001204200000000 ] - [ -0.0000097800000000, -0.0000524900000000, -0.0002071100000000 ] - [ 0.0006619500000000, 0.0020863400000000, 0.0001860200000000 ] - [ -0.0001795500000000, 0.0001677700000000, 0.0005858800000000 ] - [ -0.0004467200000000, 0.0001479300000000, -0.0003465100000000 ] - [ -0.0001979600000000, -0.0004203400000000, -0.0001680500000000 ] - [ -0.0001292500000000, -0.0001296900000000, -0.0000957900000000 ] - [ 0.0001632000000000, -0.0009548200000000, 0.0028267700000000 ] - [ 0.0003549100000000, -0.0002695500000000, -0.0000059200000000 ] - [ -0.0003455100000000, 0.0000360000000000, -0.0004649300000000 ] - [ 0.0018560100000000, -0.0013384600000000, -0.0009617600000000 ] - [ -0.0002495900000000, 0.0003391900000000, -0.0003881300000000 ] - [ 0.0003003000000000, 0.0000102700000000, 0.0001585800000000 ] - [ -0.0011452700000000, 0.0006322600000000, 0.0006535900000000 ] - [ 0.0000338800000000, 0.0000836800000000, -0.0004811200000000 ] - [ -0.0010710800000000, 0.0053398700000000, 0.0001473900000000 ] - [ 0.0003959800000000, -0.0006360300000000, 0.0004057500000000 ] - [ 0.0003950400000000, 0.0006345500000000, 0.0004087700000000 ] - [ 0.0000713300000000, 0.0000380500000000, -0.0002483000000000 ] - [ 0.0000369100000000, -0.0000832700000000, -0.0004842700000000 ] - [ 0.0003950800000000, -0.0001285500000000, 0.0001596000000000 ] - [ -0.0003541500000000, -0.0004972200000000, 0.0005708500000000 ] - [ -0.0005331500000000, 0.0007565100000000, 0.0005359300000000 ] - [ 0.0002687800000000, -0.0000237800000000, -0.0000217000000000 ] - [ -0.0004592500000000, -0.0001460800000000, -0.0003528100000000 ] - [ 0.0003184700000000, 0.0001738100000000, -0.0002568500000000 ] - [ -0.0002526500000000, -0.0000478400000000, -0.0002655900000000 ] - [ -0.0000587500000000, 0.0002708600000000, -0.0005401200000000 ] - [ 0.0001194200000000, 0.0001689100000000, -0.0000762400000000 ] - [ 0.0001156000000000, -0.0000520900000000, -0.0002008700000000 ] - [ 0.0003020000000000, -0.0000098500000000, 0.0001574000000000 ] - [ -0.0008503600000000, -0.0030082400000000, 0.0016096900000000 ] - [ 0.0006415000000000, -0.0002081200000000, -0.0002257800000000 ] - [ 0.0002134300000000, -0.0001363200000000, -0.0003671600000000 ] - [ -0.0007254600000000, -0.0002236100000000, 0.0005339400000000 ] - [ -0.0001693300000000, 0.0004107800000000, -0.0001986900000000 ] - [ 0.0002220500000000, 0.0000537100000000, -0.0001826500000000 ] - [ -0.0006346400000000, -0.0001855800000000, 0.0007371000000000 ] - [ 0.0000749800000000, -0.0004210400000000, -0.0000401200000000 ] - [ -0.0003480600000000, -0.0000395700000000, -0.0004549500000000 ] - [ 0.0002691300000000, -0.0000092400000000, -0.0002849000000000 ] - [ -0.0053860200000000, -0.0076954000000000, 0.0033694500000000 ] - [ 0.0027351700000000, 0.0032528400000000, 0.0088633500000000 ] - [ -0.0002717300000000, 0.0004975100000000, 0.0002434300000000 ] - [ 0.0002599500000000, 0.0000217600000000, -0.0000103300000000 ] - [ 0.0002744300000000, 0.0000120300000000, -0.0002763600000000 ] - [ 0.0003624200000000, -0.0005105800000000, 0.0000127400000000 ] - [ -0.0007960200000000, -0.0000704900000000, 0.0013555000000000 ] - [ -0.0000896500000000, 0.0000938500000000, 0.0000645600000000 ] - [ 0.0001755400000000, 0.0004760300000000, 0.0006021200000000 ] - [ -0.0002101100000000, 0.0000679200000000, -0.0003125200000000 ] - [ -0.0004826400000000, -0.0004468500000000, 0.0015417400000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001804600000000, 0.0001641100000000, -0.0005568900000000 ] - [ -0.0011011200000000, -0.0029695900000000, 0.0006407500000000 ] - [ -0.0005304500000000, -0.0001784100000000, -0.0004408500000000 ] - [ 0.0001529200000000, 0.0003328300000000, -0.0001821100000000 ] - [ 0.0000848900000000, 0.0001223000000000, -0.0002888000000000 ] - [ -0.0002838400000000, -0.0002551700000000, 0.0001739600000000 ] - [ 0.0000250700000000, -0.0001131900000000, -0.0003041300000000 ] - [ -0.0002935900000000, 0.0002550200000000, 0.0001764900000000 ] - [ -0.0000111000000000, 0.0001862300000000, -0.0004453000000000 ] - [ 0.0006199700000000, -0.0001675500000000, -0.0002711600000000 ] - [ -0.0178658000000000, 0.0800564600000000, 0.0072840500000000 ] - [ -0.0001401300000000, -0.0001551800000000, 0.0009905100000000 ] - [ 0.0002604100000000, 0.0001794900000000, -0.0002080600000000 ] - [ 0.0003797700000000, -0.0001351300000000, -0.0005160300000000 ] - [ 0.0001394200000000, 0.0002417500000000, 0.0000993000000000 ] - [ 0.0001309200000000, -0.0002440900000000, 0.0001047000000000 ] - [ -0.0016579900000000, -0.0084222800000000, -0.0129802600000000 ] - [ 0.0042738500000000, -0.0369784500000000, 0.0018067700000000 ] - [ -0.0041205400000000, 0.0045165700000000, 0.0083014900000000 ] - [ -0.0001084400000000, 0.0006163800000000, 0.0008311600000000 ] - [ 0.0051889900000000, 0.0049047300000000, 0.0063407700000000 ] - [ 0.0003484900000000, 0.0000211400000000, -0.0003266000000000 ] - [ 0.0002896200000000, -0.0001113500000000, -0.0003718300000000 ] - [ -0.0000876900000000, -0.0006256500000000, 0.0008462700000000 ] - [ 0.0006173200000000, -0.0000903300000000, -0.0005409100000000 ] - [ 0.0005869200000000, -0.0001955100000000, 0.0002362200000000 ] - [ 0.0002344200000000, 0.0003370800000000, -0.0000862200000000 ] - [ 0.0002054100000000, -0.0003479100000000, -0.0000315900000000 ] - [ 0.0003399900000000, -0.0003609300000000, 0.0005150600000000 ] - [ 0.0004914300000000, 0.0002205000000000, 0.0001069300000000 ] - [ -0.0001975400000000, 0.0031986300000000, -0.0003604700000000 ] - [ 0.0000923700000000, -0.0000957300000000, -0.0001773900000000 ] - [ 0.0001478700000000, -0.0000396200000000, -0.0000411800000000 ] - [ 0.0007936000000000, -0.0008214200000000, 0.0004306800000000 ] - [ 0.0007909100000000, 0.0008217500000000, 0.0004373300000000 ] - [ -0.0021300300000000, 0.0012629300000000, 0.0021482300000000 ] - [ 0.0006867000000000, 0.0000059900000000, -0.0002193300000000 ] - [ 0.0010779900000000, -0.0004715100000000, -0.0003269400000000 ] - [ 0.0005163300000000, 0.0000118000000000, 0.0001629700000000 ] - [ 0.0091159300000000, -0.0253347500000000, 0.0082649800000000 ] - [ 0.0006921000000000, -0.0000134200000000, -0.0001357900000000 ] - [ 0.0001304800000000, 0.0001590700000000, -0.0007758900000000 ] - [ 0.0019659100000000, 0.0022652900000000, 0.0015513400000000 ] - [ -0.0010582900000000, -0.0005060000000000, 0.0006985900000000 ] - [ 0.0002442000000000, 0.0000426100000000, -0.0002786600000000 ] - [ 0.0002425700000000, -0.0001144100000000, 0.0014301000000000 ] - [ 0.0001586300000000, 0.0000401400000000, -0.0000339200000000 ] - [ -0.0004195300000000, -0.0002522200000000, -0.0001056900000000 ] - [ -0.0003815000000000, -0.0005142200000000, -0.0006674500000000 ] - [ -0.0002713300000000, -0.0004614000000000, -0.0000190500000000 ] - [ -0.0000811200000000, -0.0000691200000000, -0.0002245300000000 ] - [ -0.0002916000000000, -0.0001206800000000, 0.0005920100000000 ] - [ 0.0000034500000000, 0.0002900600000000, 0.0002431700000000 ] - [ 0.0004452800000000, -0.0014724700000000, 0.0057064700000000 ] - [ -0.0001694100000000, -0.0001476700000000, -0.0000165800000000 ] - [ -0.0001128400000000, 0.0000905900000000, -0.0001967700000000 ] - [ 0.0039099200000000, -0.0088594700000000, 0.0068024500000000 ] - [ -0.0006463100000000, 0.0002209600000000, 0.0003177300000000 ] - [ -0.0010557500000000, -0.0028001500000000, -0.0023947600000000 ] - [ -0.0006567600000000, -0.0002209200000000, 0.0003218100000000 ] - [ 0.0052607800000000, -0.0074235100000000, -0.0143453500000000 ] - [ -0.0002741200000000, 0.0030137000000000, -0.0010202300000000 ] - [ 0.0002570300000000, 0.0000553600000000, -0.0004159700000000 ] - [ -0.0092142400000000, -0.0036494500000000, 0.0025581500000000 ] - [ 0.0001059600000000, -0.0001598700000000, 0.0000880800000000 ] - [ 0.0000389500000000, -0.0002784000000000, 0.0002454900000000 ] - [ 0.0000675700000000, 0.0004182300000000, -0.0000433600000000 ] - [ 0.0039731800000000, -0.0076840600000000, -0.0041138300000000 ] - [ 0.0012278300000000, -0.0020737900000000, 0.0018853900000000 ] - [ 0.0002100400000000, 0.0001964500000000, -0.0002277400000000 ] - [ -0.0002943200000000, 0.0000634100000000, 0.0001146900000000 ] - [ -0.0000705800000000, 0.0002864800000000, -0.0003808400000000 ] - [ 0.0000938600000000, 0.0002724900000000, -0.0001015600000000 ] - [ -0.0000938800000000, -0.0000496100000000, 0.0000410200000000 ] - [ -0.0002979600000000, 0.0032910000000000, 0.0009790600000000 ] - [ -0.0000441400000000, -0.0005411000000000, 0.0003645800000000 ] - [ 0.0001347300000000, -0.0000149100000000, -0.0001506400000000 ] - [ -0.0009006100000000, -0.0003320900000000, -0.0009329200000000 ] - [ -0.0001223900000000, 0.0001810100000000, -0.0000386000000000 ] - [ -0.0015755200000000, 0.0015105800000000, -0.0007526200000000 ] - [ 0.0003396100000000, 0.0000943600000000, -0.0002349500000000 ] - [ -0.0002860800000000, 0.0003049500000000, 0.0007453800000000 ] - [ -0.0003611100000000, -0.0005474100000000, 0.0001573800000000 ] - [ -0.0007081500000000, 0.0001915600000000, -0.0002231500000000 ] - [ 0.0023150500000000, 0.0041330500000000, -0.0003995200000000 ] - [ 0.0000631500000000, -0.0004170700000000, -0.0000433600000000 ] - [ -0.0002914000000000, -0.0003026900000000, 0.0007431900000000 ] - [ -0.0002109200000000, 0.0004471000000000, 0.0001621800000000 ] - [ -0.0002506900000000, 0.0000089300000000, 0.0002544500000000 ] - [ 0.0006647800000000, -0.0003200800000000, 0.0000745000000000 ] - [ 0.0001170300000000, -0.0003009500000000, -0.0003044600000000 ] - [ -0.0000435200000000, 0.0005411400000000, 0.0003770300000000 ] - [ -0.0001590900000000, 0.0000766100000000, 0.0000762500000000 ] - [ -0.0001203000000000, -0.0000705800000000, -0.0001101600000000 ] - [ -0.0013304100000000, -0.0020383800000000, -0.0007379100000000 ] - [ -0.0002936200000000, 0.0001061300000000, 0.0005622000000000 ] - [ -0.0005965600000000, 0.0001208200000000, -0.0003469700000000 ] - [ -0.0003701100000000, -0.0005165500000000, -0.0001535400000000 ] - [ -0.0001996400000000, -0.0001041200000000, 0.0000534000000000 ] - [ -0.0006459700000000, 0.0006791600000000, -0.0016998800000000 ] - [ -0.0000537300000000, 0.0006951500000000, 0.0004125300000000 ] - [ -0.0004971000000000, 0.0000183200000000, -0.0005086700000000 ] - [ -0.0019595400000000, 0.0008955700000000, 0.0008443300000000 ] - [ 0.0001201300000000, -0.0002156600000000, 0.0000668200000000 ] - [ 0.0001775600000000, 0.0000390800000000, 0.0001791600000000 ] - [ 0.0000774600000000, -0.0002503700000000, 0.0000512100000000 ] - [ -0.0001283100000000, 0.0000326100000000, -0.0004906700000000 ] - [ -0.0000708200000000, -0.0057029600000000, 0.0005307200000000 ] - [ 0.0002689100000000, -0.0006689800000000, 0.0004060400000000 ] - [ 0.0002700200000000, 0.0006704100000000, 0.0004028100000000 ] - [ -0.0000042100000000, 0.0000484800000000, -0.0001835000000000 ] - [ -0.0001311300000000, -0.0000331200000000, -0.0004874200000000 ] - [ -0.0000614300000000, -0.0002282100000000, -0.0001477800000000 ] - [ 0.0006317800000000, 0.0000563600000000, -0.0001558800000000 ] - [ 0.0007901300000000, 0.0000498700000000, -0.0006397500000000 ] - [ -0.0000554100000000, -0.0000230400000000, -0.0000993400000000 ] - [ -0.0005839400000000, -0.0001227100000000, -0.0003411900000000 ] - [ -0.0000355100000000, 0.0001117300000000, -0.0004498600000000 ] - [ -0.0004212000000000, 0.0000170300000000, -0.0002836600000000 ] - [ 0.0003971300000000, 0.0003959300000000, -0.0000502000000000 ] - [ 0.0002157700000000, 0.0001885000000000, 0.0000856800000000 ] - [ -0.0000491100000000, -0.0000343400000000, -0.0002300600000000 ] - [ 0.0001759300000000, -0.0000394400000000, 0.0001803600000000 ] - [ 0.0009143600000000, 0.0020114100000000, -0.0009304900000000 ] - [ -0.0000193600000000, 0.0000300100000000, -0.0002029900000000 ] - [ 0.0000701100000000, -0.0001492100000000, -0.0003390800000000 ] - [ 0.0006469000000000, 0.0006704000000000, -0.0006630300000000 ] - [ -0.0003987200000000, 0.0005259100000000, -0.0001227200000000 ] - [ 0.0004022200000000, 0.0001254300000000, -0.0002472400000000 ] - [ 0.0002687600000000, 0.0008863600000000, 0.0007958800000000 ] - [ -0.0004742300000000, -0.0004964800000000, 0.0003160300000000 ] - [ -0.0004947200000000, -0.0000145400000000, -0.0005186700000000 ] - [ 0.0001174400000000, -0.0000781200000000, -0.0002390500000000 ] - [ 0.0054709900000000, 0.0065150900000000, -0.0034837700000000 ] - [ -0.0033598100000000, -0.0036523000000000, -0.0069799600000000 ] - [ -0.0001253600000000, 0.0004190900000000, 0.0000295500000000 ] - [ -0.0000461300000000, 0.0000255800000000, -0.0001114300000000 ] - [ 0.0001119000000000, 0.0000752100000000, -0.0002480000000000 ] - [ -0.0000323200000000, -0.0001539800000000, -0.0006059400000000 ] - [ 0.0008728800000000, 0.0010711600000000, -0.0006224500000000 ] - [ -0.0002402800000000, 0.0001402700000000, -0.0001079200000000 ] - [ -0.0003056100000000, -0.0005989100000000, -0.0009185900000000 ] - [ -0.0004638100000000, -0.0000372100000000, -0.0002364400000000 ] - [ 0.0000053700000000, 0.0007182600000000, -0.0003974100000000 ]- atom: 11 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0011550800000000, 0.0001679700000000, -0.0010870600000000 ] - [ -0.0046126200000000, -0.0005785200000000, -0.0035834300000000 ] - [ 0.0013875800000000, -0.0000450300000000, 0.0007069900000000 ] - [ 0.0013056400000000, 0.0001338600000000, 0.0034972200000000 ] - [ 0.0000703500000000, 0.0001281900000000, -0.0003119500000000 ] - [ -0.0003412900000000, -0.0002612000000000, 0.0001455700000000 ] - [ -0.0001138700000000, -0.0001129800000000, -0.0002782400000000 ] - [ -0.0003630800000000, 0.0002587500000000, 0.0001836500000000 ] - [ -0.0006125200000000, 0.0001559600000000, 0.0006856700000000 ] - [ 0.0008338400000000, -0.0001506900000000, -0.0013657400000000 ] - [ 0.0069388000000000, -0.0064886800000000, -0.1547183500000000 ] - [ -0.0000841300000000, 0.0006524700000000, 0.0205784600000000 ] - [ 0.0001715900000000, 0.0002931100000000, 0.0002698000000000 ] - [ -0.0000726100000000, 0.0000313600000000, -0.0010622300000000 ] - [ -0.0001513500000000, 0.0002595300000000, 0.0000755000000000 ] - [ -0.0001160200000000, -0.0002542300000000, 0.0001237900000000 ] - [ 0.0132871400000000, 0.0034396400000000, 0.0099390400000000 ] - [ 0.0207147100000000, -0.0033017300000000, 0.0258927500000000 ] - [ -0.0098729600000000, -0.0001388400000000, 0.0392055600000000 ] - [ -0.0003488500000000, 0.0005531200000000, 0.0008514000000000 ] - [ 0.0051918500000000, -0.0022256200000000, -0.0092172800000000 ] - [ 0.0000206100000000, 0.0001373300000000, -0.0006210400000000 ] - [ -0.0008066000000000, -0.0001788000000000, -0.0003560500000000 ] - [ -0.0002901100000000, -0.0005809500000000, 0.0008120900000000 ] - [ -0.0019876800000000, 0.0002663800000000, 0.0056817100000000 ] - [ 0.0004609000000000, -0.0002199200000000, 0.0001407300000000 ] - [ -0.0000279500000000, 0.0003446400000000, -0.0000675700000000 ] - [ 0.0000321600000000, -0.0003460300000000, 0.0000350400000000 ] - [ 0.0012061100000000, 0.0002252900000000, -0.0000338700000000 ] - [ 0.0001654000000000, 0.0002227300000000, 0.0002354500000000 ] - [ -0.0121335000000000, 0.0000069400000000, 0.0127166400000000 ] - [ 0.0000500400000000, -0.0000359200000000, 0.0001730200000000 ] - [ -0.0000709500000000, -0.0000543000000000, -0.0000462500000000 ] - [ 0.0005980700000000, -0.0008085900000000, 0.0003930800000000 ] - [ 0.0006031200000000, 0.0008035100000000, 0.0004277700000000 ] - [ 0.0026044700000000, 0.0027469300000000, 0.0130572500000000 ] - [ 0.0002665100000000, -0.0000621900000000, -0.0003023400000000 ] - [ 0.0021439300000000, -0.0011600500000000, -0.0018986800000000 ] - [ 0.0007603400000000, -0.0000424900000000, 0.0003286900000000 ] - [ -0.0199454300000000, 0.0101223400000000, -0.0118003600000000 ] - [ 0.0004630300000000, 0.0000017300000000, -0.0000362100000000 ] - [ -0.0029586100000000, 0.0001564400000000, -0.0003311800000000 ] - [ 0.0114031800000000, 0.0013855100000000, -0.0020108300000000 ] - [ -0.0035416900000000, -0.0016022100000000, 0.0074298100000000 ] - [ -0.0004475900000000, 0.0000926300000000, -0.0005053000000000 ] - [ 0.0024331000000000, 0.0001452000000000, 0.0020983800000000 ] - [ -0.0000106100000000, 0.0000504600000000, -0.0000532800000000 ] - [ -0.0013992900000000, -0.0007425100000000, 0.0016278000000000 ] - [ 0.0026532900000000, -0.0002311800000000, -0.0018315000000000 ] - [ 0.0000908200000000, -0.0001576900000000, -0.0014759400000000 ] - [ -0.0007999800000000, -0.0003017400000000, 0.0001350900000000 ] - [ -0.0002096200000000, -0.0001566700000000, 0.0005933300000000 ] - [ 0.0001082800000000, 0.0002379000000000, 0.0002369700000000 ] - [ -0.0046963500000000, -0.0009884500000000, 0.0045610800000000 ] - [ -0.0000100900000000, -0.0002441000000000, -0.0000345600000000 ] - [ -0.0000921000000000, 0.0000610200000000, -0.0001785200000000 ] - [ 0.0111877400000000, -0.0128713200000000, 0.0231390700000000 ] - [ -0.0005225100000000, 0.0001901600000000, 0.0003415300000000 ] - [ -0.0023175800000000, -0.0062590500000000, -0.0102180200000000 ] - [ -0.0004906900000000, -0.0001727100000000, 0.0003753600000000 ] - [ -0.0049736000000000, 0.0172680000000000, 0.0266704600000000 ] - [ -0.0010887300000000, 0.0081909500000000, -0.0103765300000000 ] - [ -0.0003835900000000, -0.0000359800000000, -0.0007532600000000 ] - [ -0.0065203800000000, -0.0097470900000000, 0.0111439700000000 ] - [ 0.0003483500000000, 0.0000069500000000, 0.0002497200000000 ] - [ 0.0002150800000000, -0.0001783400000000, 0.0001622100000000 ] - [ 0.0001500000000000, 0.0003944000000000, -0.0000700300000000 ] - [ -0.0031168400000000, 0.0032418500000000, 0.0121290600000000 ] - [ -0.0047758900000000, 0.0006141500000000, -0.0007647700000000 ] - [ 0.0006866600000000, 0.0003070100000000, -0.0004843000000000 ] - [ 0.0002067800000000, -0.0005467900000000, -0.0023024500000000 ] - [ 0.0000560800000000, 0.0003388800000000, -0.0002109400000000 ] - [ 0.0000070100000000, 0.0003419600000000, -0.0002181800000000 ] - [ 0.0003473900000000, -0.0001083400000000, 0.0003222500000000 ] - [ 0.0029893600000000, -0.0006829500000000, -0.0149531900000000 ] - [ 0.0000382500000000, -0.0005026300000000, 0.0003622300000000 ] - [ 0.0003803100000000, -0.0001056500000000, 0.0000049900000000 ] - [ 0.0001484600000000, 0.0001665100000000, 0.0000637100000000 ] - [ -0.0000369200000000, 0.0002166600000000, -0.0001017400000000 ] - [ 0.0000533900000000, 0.0003665600000000, 0.0012677700000000 ] - [ 0.0002430300000000, 0.0000789200000000, -0.0004628200000000 ] - [ -0.0001598200000000, 0.0003609100000000, 0.0007624400000000 ] - [ -0.0003396100000000, -0.0005593200000000, 0.0004028200000000 ] - [ 0.0003654500000000, 0.0018978300000000, -0.0063169200000000 ] - [ -0.0047053500000000, -0.0021614900000000, 0.0008725400000000 ] - [ 0.0001352900000000, -0.0004009700000000, -0.0000487900000000 ] - [ -0.0001687500000000, -0.0003542400000000, 0.0007690600000000 ] - [ -0.0000217300000000, 0.0003381200000000, -0.0001331400000000 ] - [ -0.0009774100000000, 0.0004498100000000, -0.0039066000000000 ] - [ 0.0039989400000000, -0.0012764300000000, -0.0022990200000000 ] - [ 0.0003367800000000, -0.0003441000000000, -0.0003629100000000 ] - [ 0.0000531800000000, 0.0005010800000000, 0.0003589100000000 ] - [ 0.0003551300000000, 0.0000066700000000, -0.0001432900000000 ] - [ -0.0000219400000000, -0.0000511700000000, -0.0001349800000000 ] - [ -0.0007401300000000, 0.0001225400000000, 0.0018407200000000 ] - [ -0.0002455500000000, 0.0001240700000000, 0.0005518400000000 ] - [ -0.0005337700000000, 0.0001344800000000, -0.0003434500000000 ] - [ -0.0002571100000000, -0.0004575500000000, -0.0002210300000000 ] - [ -0.0000557300000000, -0.0000968800000000, 0.0001856600000000 ] - [ -0.0019341000000000, 0.0004980900000000, 0.0001761100000000 ] - [ 0.0042294700000000, -0.0031894600000000, 0.0009161100000000 ] - [ -0.0004021100000000, 0.0000330100000000, -0.0004678200000000 ] - [ -0.0044658800000000, 0.0023041800000000, 0.0032544600000000 ] - [ 0.0008148200000000, -0.0002238700000000, -0.0002878000000000 ] - [ 0.0002571200000000, 0.0000188000000000, 0.0001626500000000 ] - [ 0.0003912200000000, -0.0001283400000000, -0.0040778300000000 ] - [ -0.0000310400000000, 0.0000619000000000, -0.0004981900000000 ] - [ -0.0011278200000000, -0.0019037600000000, 0.0111256200000000 ] - [ 0.0003463700000000, -0.0006416300000000, 0.0004206300000000 ] - [ 0.0003418500000000, 0.0006548000000000, 0.0003918900000000 ] - [ 0.0001654100000000, 0.0000183600000000, -0.0003084600000000 ] - [ -0.0000332000000000, -0.0000647900000000, -0.0004736800000000 ] - [ -0.0003466800000000, -0.0001598200000000, 0.0003955200000000 ] - [ -0.0012182200000000, -0.0013080900000000, -0.0010239100000000 ] - [ 0.0021569500000000, -0.0022931500000000, -0.0065491900000000 ] - [ 0.0001594500000000, -0.0000171300000000, -0.0000112800000000 ] - [ -0.0004857100000000, -0.0001417300000000, -0.0003510500000000 ] - [ -0.0000773400000000, 0.0001179400000000, -0.0004803000000000 ] - [ -0.0002954400000000, -0.0000385200000000, -0.0003538900000000 ] - [ 0.0016901300000000, 0.0011118500000000, 0.0007662200000000 ] - [ 0.0007273900000000, 0.0001406000000000, -0.0007603900000000 ] - [ -0.0000777300000000, -0.0000544700000000, -0.0001401300000000 ] - [ 0.0002442900000000, -0.0000237900000000, 0.0001713100000000 ] - [ 0.0060854500000000, 0.0002337900000000, -0.0013062100000000 ] - [ -0.0002807900000000, 0.0001703000000000, 0.0000713600000000 ] - [ 0.0004327400000000, -0.0001484200000000, -0.0002160400000000 ] - [ 0.0016363000000000, 0.0018268400000000, -0.0025998100000000 ] - [ -0.0002782900000000, 0.0004546000000000, -0.0001079200000000 ] - [ 0.0007490800000000, 0.0003143200000000, -0.0005290900000000 ] - [ -0.0028545500000000, -0.0018553700000000, -0.0061523700000000 ] - [ -0.0007163200000000, -0.0007192800000000, 0.0008350400000000 ] - [ -0.0004145400000000, -0.0000239500000000, -0.0004979300000000 ] - [ 0.0002287200000000, -0.0000326300000000, -0.0002646700000000 ] - [ -0.0010573000000000, -0.0030646900000000, 0.0141103100000000 ] - [ 0.0030933500000000, 0.0018561800000000, 0.0200177500000000 ] - [ 0.0001937000000000, 0.0001449500000000, -0.0005194500000000 ] - [ 0.0001102200000000, 0.0000290600000000, -0.0000930400000000 ] - [ 0.0001851900000000, 0.0000416900000000, -0.0002661700000000 ] - [ -0.0008803500000000, 0.0003125600000000, -0.0012403400000000 ] - [ -0.0061661400000000, 0.0062220200000000, -0.0070115500000000 ] - [ -0.0002545300000000, 0.0001505700000000, -0.0002266000000000 ] - [ -0.0010155300000000, -0.0008691000000000, -0.0008950700000000 ] - [ -0.0003511200000000, 0.0000087200000000, -0.0001944000000000 ] - [ 0.0019841300000000, -0.0001782400000000, -0.0016919200000000 ]- atom: 11 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0011281600000000, 0.0000673900000000, 0.0005059700000000 ] - [ 0.0039479200000000, 0.0000667300000000, 0.0039514100000000 ] - [ -0.0014137300000000, -0.0001914300000000, -0.0013127200000000 ] - [ -0.0019738500000000, 0.0003826200000000, -0.0031677200000000 ] - [ -0.0001013700000000, 0.0001092500000000, -0.0002854800000000 ] - [ -0.0003459300000000, -0.0002575500000000, 0.0001865600000000 ] - [ 0.0000821000000000, -0.0001243800000000, -0.0003194700000000 ] - [ -0.0003243300000000, 0.0002594300000000, 0.0001483600000000 ] - [ 0.0008501800000000, 0.0001468700000000, -0.0013902400000000 ] - [ -0.0006495400000000, -0.0001488000000000, 0.0006682400000000 ] - [ -0.0071838200000000, 0.0076660200000000, 0.1542615100000000 ] - [ -0.0000807200000000, -0.0011516700000000, -0.0203651100000000 ] - [ 0.0000399900000000, 0.0000097000000000, -0.0009693500000000 ] - [ 0.0002872400000000, -0.0003342600000000, 0.0003608400000000 ] - [ -0.0000408300000000, 0.0002497100000000, 0.0001242200000000 ] - [ -0.0000759800000000, -0.0002554000000000, 0.0000758000000000 ] - [ -0.0131947100000000, -0.0035035200000000, -0.0101355400000000 ] - [ -0.0195492600000000, 0.0015785000000000, -0.0252418700000000 ] - [ 0.0110037300000000, 0.0016912800000000, -0.0379557800000000 ] - [ -0.0002273400000000, 0.0005963100000000, 0.0008142200000000 ] - [ -0.0045149100000000, 0.0021323900000000, 0.0087593300000000 ] - [ 0.0000777300000000, 0.0000341800000000, 0.0001611600000000 ] - [ 0.0012149800000000, 0.0000232800000000, 0.0001734200000000 ] - [ -0.0002876600000000, -0.0005679000000000, 0.0008525200000000 ] - [ 0.0028616100000000, -0.0002205900000000, -0.0060118300000000 ] - [ 0.0002252200000000, -0.0002172200000000, 0.0002354800000000 ] - [ 0.0000906300000000, 0.0003458600000000, 0.0000265100000000 ] - [ 0.0000313400000000, -0.0003437900000000, -0.0000790300000000 ] - [ -0.0008189800000000, -0.0000558800000000, -0.0001898400000000 ] - [ 0.0005272400000000, 0.0002131600000000, 0.0001459800000000 ] - [ 0.0122002500000000, 0.0000961600000000, -0.0128547900000000 ] - [ 0.0000602300000000, -0.0001325500000000, -0.0006456000000000 ] - [ 0.0000423700000000, -0.0000466600000000, -0.0000502400000000 ] - [ 0.0006556900000000, -0.0008074200000000, 0.0004344500000000 ] - [ 0.0006503000000000, 0.0008122900000000, 0.0003990300000000 ] - [ -0.0032447400000000, -0.0015801600000000, -0.0114105600000000 ] - [ 0.0005543700000000, 0.0000108300000000, -0.0000277300000000 ] - [ -0.0020283600000000, 0.0013228500000000, 0.0014364500000000 ] - [ -0.0003638200000000, -0.0001187200000000, -0.0005279500000000 ] - [ 0.0193256100000000, -0.0112643900000000, 0.0133237600000000 ] - [ 0.0003573700000000, 0.0000495600000000, -0.0002927800000000 ] - [ 0.0036447300000000, -0.0005876600000000, 0.0007024600000000 ] - [ -0.0113464700000000, -0.0006641300000000, 0.0020287700000000 ] - [ 0.0035718900000000, 0.0009139800000000, -0.0074989100000000 ] - [ 0.0008424900000000, 0.0000694000000000, 0.0003000800000000 ] - [ -0.0017552000000000, 0.0002822200000000, -0.0017016200000000 ] - [ -0.0000180000000000, 0.0000505200000000, -0.0000431800000000 ] - [ 0.0014978300000000, 0.0005704700000000, -0.0020962100000000 ] - [ -0.0037159200000000, 0.0005008900000000, 0.0011287500000000 ] - [ -0.0006731700000000, -0.0007862300000000, 0.0011597000000000 ] - [ 0.0004739500000000, 0.0000675500000000, -0.0001694400000000 ] - [ -0.0002639100000000, -0.0001155900000000, 0.0005514400000000 ] - [ 0.0001750000000000, 0.0001998100000000, 0.0001746100000000 ] - [ 0.0039292100000000, 0.0011466700000000, -0.0053734200000000 ] - [ -0.0000672800000000, -0.0002015200000000, -0.0000914800000000 ] - [ -0.0000368600000000, 0.0000593200000000, -0.0001333700000000 ] - [ -0.0103956600000000, 0.0120947700000000, -0.0208600300000000 ] - [ -0.0005306000000000, 0.0001835400000000, 0.0003647300000000 ] - [ 0.0022171000000000, 0.0063566200000000, 0.0092277500000000 ] - [ -0.0005624100000000, -0.0002008200000000, 0.0003307200000000 ] - [ 0.0057114800000000, -0.0196741200000000, -0.0270537000000000 ] - [ 0.0017320600000000, -0.0069009700000000, 0.0112268000000000 ] - [ 0.0004435300000000, 0.0001228800000000, 0.0003372900000000 ] - [ 0.0066381100000000, 0.0104116500000000, -0.0129692700000000 ] - [ -0.0000136000000000, -0.0003693100000000, -0.0002464100000000 ] - [ 0.0000660700000000, -0.0002601400000000, 0.0002495900000000 ] - [ 0.0001131700000000, 0.0004066400000000, -0.0000442400000000 ] - [ 0.0034845800000000, -0.0032748500000000, -0.0121649600000000 ] - [ 0.0037255700000000, -0.0009059400000000, 0.0001050900000000 ] - [ -0.0004222300000000, -0.0000245900000000, -0.0002319800000000 ] - [ -0.0008965200000000, 0.0005213300000000, 0.0017576900000000 ] - [ 0.0002822400000000, 0.0003260700000000, -0.0003798000000000 ] - [ 0.0003309600000000, 0.0000131700000000, 0.0002338600000000 ] - [ -0.0002785600000000, 0.0000225400000000, -0.0007702600000000 ] - [ -0.0025074900000000, 0.0006502600000000, 0.0152149800000000 ] - [ 0.0000285900000000, -0.0005116400000000, 0.0003621500000000 ] - [ 0.0002497300000000, -0.0000745400000000, -0.0004410100000000 ] - [ 0.0001553600000000, -0.0004509300000000, -0.0007552900000000 ] - [ -0.0000427200000000, 0.0002270600000000, -0.0000228700000000 ] - [ -0.0005566100000000, 0.0005328500000000, -0.0015930700000000 ] - [ 0.0003774400000000, 0.0000976400000000, 0.0000348900000000 ] - [ -0.0002037500000000, 0.0003390700000000, 0.0007633700000000 ] - [ -0.0000505100000000, -0.0003554900000000, -0.0001272800000000 ] - [ -0.0012268300000000, -0.0019488400000000, 0.0053285200000000 ] - [ 0.0050834600000000, 0.0020988000000000, -0.0013539200000000 ] - [ 0.0001283100000000, -0.0004000300000000, -0.0000654700000000 ] - [ -0.0001943000000000, -0.0003462000000000, 0.0007566700000000 ] - [ -0.0003784800000000, 0.0005828000000000, 0.0004120400000000 ] - [ 0.0011602000000000, -0.0004017100000000, 0.0037753900000000 ] - [ -0.0036288000000000, 0.0013630300000000, 0.0017738300000000 ] - [ -0.0000089800000000, -0.0003205900000000, -0.0002301000000000 ] - [ 0.0000134800000000, 0.0005135200000000, 0.0003643600000000 ] - [ -0.0006912800000000, 0.0002323200000000, 0.0000957700000000 ] - [ -0.0001072000000000, -0.0000700600000000, -0.0001811200000000 ] - [ 0.0001012800000000, -0.0000601900000000, -0.0024004000000000 ] - [ -0.0002272500000000, 0.0001485500000000, 0.0005940600000000 ] - [ -0.0005075200000000, 0.0001362400000000, -0.0003501000000000 ] - [ -0.0003087400000000, -0.0004774300000000, -0.0001014200000000 ] - [ -0.0002731700000000, -0.0001387600000000, -0.0002269300000000 ] - [ 0.0014615100000000, -0.0007629600000000, 0.0009164500000000 ] - [ -0.0039358900000000, 0.0036147500000000, -0.0005018800000000 ] - [ -0.0004383900000000, 0.0000212700000000, -0.0005059900000000 ] - [ 0.0043558400000000, -0.0027439600000000, -0.0033652000000000 ] - [ -0.0009421800000000, 0.0003406700000000, -0.0000197500000000 ] - [ 0.0002238500000000, 0.0000289600000000, 0.0001750200000000 ] - [ -0.0014146600000000, 0.0004798300000000, 0.0047913300000000 ] - [ -0.0000602400000000, 0.0000562100000000, -0.0004747300000000 ] - [ -0.0001480500000000, 0.0015750200000000, -0.0105191300000000 ] - [ 0.0003209600000000, -0.0006609800000000, 0.0003912300000000 ] - [ 0.0003256500000000, 0.0006478500000000, 0.0004197800000000 ] - [ -0.0000990800000000, 0.0000683100000000, -0.0001217900000000 ] - [ -0.0000578800000000, -0.0000533300000000, -0.0004991900000000 ] - [ 0.0006819200000000, -0.0001987600000000, -0.0003905700000000 ] - [ 0.0015176400000000, 0.0008810200000000, 0.0014308100000000 ] - [ -0.0018768900000000, 0.0030907200000000, 0.0064139000000000 ] - [ 0.0000575200000000, -0.0000298000000000, -0.0001100600000000 ] - [ -0.0005558600000000, -0.0001291000000000, -0.0003424400000000 ] - [ 0.0003608000000000, 0.0001667800000000, -0.0002265500000000 ] - [ -0.0003772900000000, 0.0000062800000000, -0.0001966500000000 ] - [ -0.0013577600000000, -0.0004463000000000, -0.0013564500000000 ] - [ -0.0003895500000000, 0.0002176800000000, 0.0007718200000000 ] - [ 0.0001437000000000, -0.0000316300000000, -0.0002910300000000 ] - [ 0.0002368300000000, -0.0000238200000000, 0.0001662700000000 ] - [ -0.0059935200000000, -0.0011741600000000, 0.0020859200000000 ] - [ 0.0009029800000000, -0.0003473400000000, -0.0005031200000000 ] - [ -0.0001491400000000, -0.0001369900000000, -0.0004893600000000 ] - [ -0.0017088000000000, -0.0013806300000000, 0.0024792700000000 ] - [ -0.0002880500000000, 0.0004805100000000, -0.0002142200000000 ] - [ -0.0001220900000000, -0.0001356500000000, 0.0000981000000000 ] - [ 0.0025121800000000, 0.0025684400000000, 0.0077086900000000 ] - [ 0.0003177200000000, -0.0001985200000000, -0.0005566400000000 ] - [ -0.0004260800000000, -0.0000299700000000, -0.0004760000000000 ] - [ 0.0001599500000000, -0.0000534600000000, -0.0002593700000000 ] - [ 0.0012825800000000, 0.0021831200000000, -0.0142106700000000 ] - [ -0.0038483000000000, -0.0020729200000000, -0.0178904600000000 ] - [ -0.0005882000000000, 0.0007733100000000, 0.0007959300000000 ] - [ 0.0001077200000000, 0.0000184300000000, -0.0000288200000000 ] - [ 0.0002033300000000, 0.0000442600000000, -0.0002584600000000 ] - [ 0.0012149100000000, -0.0009767200000000, 0.0006462600000000 ] - [ 0.0062794100000000, -0.0052396300000000, 0.0077613700000000 ] - [ -0.0000752600000000, 0.0000860700000000, 0.0001831400000000 ] - [ 0.0008863700000000, 0.0007436800000000, 0.0005710500000000 ] - [ -0.0003222700000000, 0.0000231500000000, -0.0003557500000000 ] - [ -0.0024601000000000, 0.0004483000000000, 0.0028682700000000 ]- atom: 17 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0007224100000000, 0.0001867300000000, -0.0014977000000000 ] - [ -0.0038397700000000, -0.0010504300000000, -0.0012734000000000 ] - [ 0.0119445700000000, -0.0001889800000000, 0.0055497600000000 ] - [ -0.0057728800000000, 0.0003555400000000, 0.0062042500000000 ] - [ 0.0009156400000000, 0.0001036800000000, -0.0002712100000000 ] - [ 0.0004126600000000, -0.0002041700000000, 0.0002970200000000 ] - [ 0.0009556700000000, -0.0001049600000000, -0.0002899400000000 ] - [ 0.0004190400000000, 0.0002041100000000, 0.0002893500000000 ] - [ 0.0009906200000000, 0.0002942900000000, 0.0020698600000000 ] - [ 0.0053610800000000, -0.0006488600000000, -0.0036834800000000 ] - [ -0.0093358700000000, 0.0019397600000000, 0.0131981100000000 ] - [ -0.0073714800000000, -0.0004516100000000, -0.0121555000000000 ] - [ 0.0031136600000000, 0.0003296100000000, -0.0004288000000000 ] - [ 0.0032668400000000, -0.0004309100000000, -0.0000896300000000 ] - [ 0.0031273600000000, 0.0000940600000000, 0.0000899100000000 ] - [ 0.0031099600000000, -0.0000830500000000, 0.0001505000000000 ] - [ -0.3831437400000000, 0.0035381000000000, -0.0329883600000000 ] - [ -0.0030763200000000, -0.0000435400000000, 0.0010471300000000 ] - [ 0.0122087500000000, 0.0003852000000000, -0.0034609600000000 ] - [ 0.0022069100000000, 0.0011584200000000, 0.0009473900000000 ] - [ -0.0025793000000000, 0.0093160300000000, -0.0303863500000000 ] - [ 0.0026956800000000, -0.0000756300000000, -0.0012674200000000 ] - [ 0.0004154400000000, -0.0003473900000000, -0.0009565200000000 ] - [ 0.0024125700000000, -0.0012596300000000, 0.0008509800000000 ] - [ -0.0073609300000000, 0.0016482100000000, 0.0072421200000000 ] - [ 0.0034013300000000, -0.0001442500000000, -0.0003701100000000 ] - [ 0.0025884000000000, 0.0002604600000000, -0.0006988400000000 ] - [ 0.0027433500000000, -0.0002672000000000, -0.0004123900000000 ] - [ 0.0049822600000000, -0.0004878600000000, 0.0012504000000000 ] - [ 0.0025580800000000, 0.0001733400000000, -0.0001742900000000 ] - [ -0.0064850600000000, 0.0007150200000000, -0.0012182200000000 ] - [ 0.0026321800000000, 0.0004483600000000, 0.0009727400000000 ] - [ 0.0023188900000000, 0.0001022400000000, 0.0001101300000000 ] - [ 0.0028840700000000, -0.0009991800000000, 0.0006839400000000 ] - [ 0.0029461500000000, 0.0009997100000000, 0.0007269000000000 ] - [ -0.0003965400000000, -0.0006017000000000, -0.0018609100000000 ] - [ 0.0043192100000000, 0.0004818700000000, -0.0003071400000000 ] - [ 0.0022615300000000, -0.0000318300000000, 0.0003537400000000 ] - [ 0.0025020900000000, 0.0006164700000000, 0.0002885100000000 ] - [ 0.0087450600000000, -0.0059825800000000, 0.0054609500000000 ] - [ 0.0042448900000000, -0.0004639700000000, -0.0003542500000000 ] - [ 0.0039541700000000, -0.0002635900000000, -0.0003996300000000 ] - [ 0.0012601400000000, 0.0003041500000000, 0.0014643400000000 ] - [ 0.0034852400000000, 0.0002493100000000, -0.0031630000000000 ] - [ 0.0028143600000000, -0.0006075100000000, 0.0003791000000000 ] - [ 0.0021504900000000, 0.0000948400000000, -0.0003212600000000 ] - [ 0.0022806600000000, -0.0000987000000000, 0.0001160900000000 ] - [ 0.0028544100000000, 0.0003981900000000, -0.0008221000000000 ] - [ 0.0021384900000000, 0.0005991600000000, 0.0000377000000000 ] - [ 0.0011086500000000, 0.0006195500000000, -0.0034897100000000 ] - [ -0.0025612500000000, -0.0011035700000000, 0.0003659900000000 ] - [ -0.0009678300000000, 0.0001357400000000, 0.0006912200000000 ] - [ -0.0015865200000000, 0.0011794600000000, 0.0008069900000000 ] - [ 0.0371999400000000, 0.0055518500000000, 0.0136605500000000 ] - [ -0.0015639500000000, 0.0006074800000000, 0.0005362400000000 ] - [ -0.0009161600000000, 0.0003059300000000, -0.0000951400000000 ] - [ 0.0021606500000000, 0.0023123100000000, -0.0008006200000000 ] - [ -0.0023022600000000, 0.0006633500000000, -0.0001424900000000 ] - [ 0.0026440400000000, -0.0006763600000000, 0.0019663800000000 ] - [ -0.0022242700000000, -0.0006126300000000, -0.0000610400000000 ] - [ 0.0025074800000000, -0.0003522600000000, -0.0005106400000000 ] - [ -0.0001859600000000, 0.0009236900000000, 0.0018535600000000 ] - [ -0.0012140200000000, -0.0004365200000000, -0.0016446800000000 ] - [ 0.0026259700000000, -0.0006712200000000, -0.0009150900000000 ] - [ -0.0004909800000000, -0.0001815300000000, 0.0006920900000000 ] - [ -0.0012602300000000, -0.0009996800000000, 0.0005963200000000 ] - [ -0.0007658200000000, 0.0006290600000000, 0.0000852600000000 ] - [ 0.0115088600000000, -0.0043944400000000, 0.0036975700000000 ] - [ 0.1728938200000000, -0.1268118700000000, 0.0465481000000000 ] - [ 0.0010395700000000, 0.0000233800000000, -0.0003286100000000 ] - [ 0.0003519100000000, -0.0011675800000000, -0.0054676600000000 ] - [ -0.0018358400000000, -0.0001799000000000, -0.0005743200000000 ] - [ -0.0013769000000000, 0.0012002100000000, -0.0007020400000000 ] - [ -0.0003977100000000, -0.0001239400000000, 0.0012368100000000 ] - [ 0.0022866200000000, 0.0006196000000000, 0.0006638000000000 ] - [ -0.0010616100000000, -0.0009693400000000, 0.0005196500000000 ] - [ -0.0008584100000000, 0.0003387800000000, 0.0001863700000000 ] - [ -0.0026220900000000, 0.0008017000000000, -0.0006460000000000 ] - [ -0.0016274400000000, -0.0006808600000000, 0.0003494700000000 ] - [ -0.0008968200000000, 0.0002507200000000, 0.0035463500000000 ] - [ -0.0012861000000000, -0.0003304700000000, -0.0011312000000000 ] - [ -0.0016226500000000, -0.0002705000000000, 0.0005297700000000 ] - [ -0.0016786700000000, -0.0010177600000000, 0.0011225800000000 ] - [ 0.0033587700000000, -0.0006187900000000, 0.0012462000000000 ] - [ 0.1510594200000000, 0.1142735000000000, -0.0143289100000000 ] - [ -0.0008152400000000, -0.0006479100000000, 0.0001312000000000 ] - [ -0.0016865200000000, 0.0003009700000000, 0.0005437100000000 ] - [ -0.0006952100000000, 0.0003265900000000, -0.0002691000000000 ] - [ 0.0096315900000000, 0.0002357100000000, -0.0021773100000000 ] - [ 0.0031773300000000, -0.0015040700000000, -0.0010603400000000 ] - [ -0.0009411300000000, 0.0001533300000000, -0.0009619300000000 ] - [ -0.0010097700000000, 0.0009639500000000, 0.0005076900000000 ] - [ -0.0000666100000000, 0.0000565400000000, -0.0001418700000000 ] - [ -0.0007246500000000, -0.0002704000000000, 0.0000511300000000 ] - [ 0.0003460800000000, -0.0022618200000000, 0.0051816100000000 ] - [ -0.0010709900000000, -0.0002307800000000, 0.0005727200000000 ] - [ -0.0014724600000000, -0.0000443900000000, -0.0003074100000000 ] - [ -0.0016837400000000, -0.0012289200000000, 0.0001693800000000 ] - [ -0.0009518700000000, -0.0001322100000000, -0.0001007600000000 ] - [ -0.0004214100000000, 0.0002122800000000, 0.0000726000000000 ] - [ -0.0027058900000000, 0.0021701700000000, 0.0005833000000000 ] - [ -0.0014601200000000, -0.0001105700000000, -0.0008617100000000 ] - [ -0.0009466100000000, 0.0001491200000000, -0.0004074600000000 ] - [ -0.0010370400000000, 0.0003008100000000, 0.0001416500000000 ] - [ -0.0006311800000000, 0.0002246800000000, 0.0003348900000000 ] - [ -0.0016439800000000, 0.0004110700000000, 0.0019078400000000 ] - [ -0.0012041100000000, -0.0003043600000000, -0.0005430000000000 ] - [ -0.0007812100000000, -0.0007108300000000, -0.0015227600000000 ] - [ -0.0005407600000000, -0.0008931100000000, 0.0003866900000000 ] - [ -0.0005474200000000, 0.0008993500000000, 0.0003676800000000 ] - [ -0.0008196800000000, 0.0000355800000000, -0.0000447600000000 ] - [ -0.0011831500000000, 0.0002951000000000, -0.0005348100000000 ] - [ -0.0007796000000000, -0.0006958600000000, -0.0002429400000000 ] - [ -0.0006514900000000, -0.0004750000000000, 0.0008908200000000 ] - [ -0.0010289500000000, 0.0012709500000000, 0.0024613900000000 ] - [ -0.0020996200000000, -0.0000473400000000, -0.0007049700000000 ] - [ -0.0014891600000000, 0.0000468800000000, -0.0003007900000000 ] - [ -0.0015881700000000, 0.0000523800000000, -0.0008732800000000 ] - [ -0.0018091700000000, 0.0005945200000000, -0.0000657200000000 ] - [ -0.0018795100000000, -0.0003799400000000, -0.0010469400000000 ] - [ -0.0010326800000000, 0.0006822800000000, 0.0002685900000000 ] - [ -0.0007520300000000, -0.0000156100000000, -0.0001292100000000 ] - [ -0.0006132700000000, -0.0002202500000000, 0.0003284100000000 ] - [ -0.0027092300000000, -0.0012269800000000, 0.0005448100000000 ] - [ -0.0009316700000000, 0.0003177100000000, -0.0004163200000000 ] - [ -0.0017258800000000, -0.0000604300000000, -0.0009156500000000 ] - [ -0.0018748500000000, -0.0010317000000000, 0.0011259600000000 ] - [ -0.0016911300000000, 0.0012357900000000, 0.0001452400000000 ] - [ -0.0011021700000000, -0.0004201600000000, -0.0002171900000000 ] - [ 0.0015526600000000, 0.0010532000000000, 0.0019659800000000 ] - [ -0.0011367000000000, -0.0006466000000000, 0.0002403500000000 ] - [ -0.0014465200000000, 0.0001104400000000, -0.0008615000000000 ] - [ -0.0009122900000000, -0.0005122700000000, -0.0000001600000000 ] - [ 0.0006985200000000, 0.0017449100000000, -0.0032770000000000 ] - [ -0.0066620500000000, 0.0008485000000000, -0.0041049300000000 ] - [ -0.0013054700000000, 0.0008174700000000, 0.0005971100000000 ] - [ -0.0020786000000000, 0.0000445300000000, -0.0006876100000000 ] - [ -0.0008927500000000, 0.0005050300000000, -0.0000065200000000 ] - [ -0.0010982000000000, -0.0000095900000000, -0.0005660000000000 ] - [ 0.0008167100000000, -0.0002833300000000, 0.0014779500000000 ] - [ -0.0008981400000000, 0.0001313300000000, -0.0000286100000000 ] - [ -0.0005651500000000, -0.0002131900000000, -0.0000869900000000 ] - [ -0.0018113600000000, -0.0005946900000000, -0.0000980200000000 ] - [ -0.0015961500000000, -0.0000152600000000, 0.0015722400000000 ]- atom: 17 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0006852600000000, 0.0000506300000000, 0.0009065700000000 ] - [ 0.0031333100000000, 0.0005233300000000, 0.0016397000000000 ] - [ -0.0117697900000000, -0.0000350400000000, -0.0060227900000000 ] - [ 0.0050684300000000, 0.0001462200000000, -0.0058577600000000 ] - [ -0.0009449300000000, 0.0001329400000000, -0.0003263000000000 ] - [ -0.0010981100000000, -0.0003143600000000, 0.0000353700000000 ] - [ -0.0009852500000000, -0.0001322400000000, -0.0003071500000000 ] - [ -0.0011045300000000, 0.0003138700000000, 0.0000430900000000 ] - [ -0.0007733700000000, 0.0000079300000000, -0.0027464400000000 ] - [ -0.0051641200000000, 0.0003424600000000, 0.0029269900000000 ] - [ 0.0093233500000000, -0.0014074500000000, -0.0130072700000000 ] - [ 0.0072242200000000, -0.0000607200000000, 0.0123990100000000 ] - [ -0.0028922100000000, -0.0000260800000000, -0.0002711200000000 ] - [ -0.0030461800000000, 0.0001286500000000, -0.0006124600000000 ] - [ -0.0033122700000000, 0.0004149700000000, 0.0001095600000000 ] - [ -0.0032943700000000, -0.0004261000000000, 0.0000497900000000 ] - [ 0.3732300800000000, -0.0035464300000000, 0.0301518300000000 ] - [ 0.0043650100000000, -0.0015922900000000, -0.0001967100000000 ] - [ -0.0110192400000000, 0.0012723400000000, 0.0042696600000000 ] - [ -0.0027781100000000, -0.0000093100000000, 0.0007200000000000 ] - [ 0.0031542700000000, -0.0093334800000000, 0.0301392700000000 ] - [ -0.0025906800000000, 0.0002490700000000, 0.0007926400000000 ] - [ -0.0000233400000000, 0.0001820500000000, 0.0007632200000000 ] - [ -0.0029828100000000, 0.0001099200000000, 0.0008139900000000 ] - [ 0.0081197700000000, -0.0015757900000000, -0.0075255100000000 ] - [ -0.0027015800000000, -0.0002949000000000, 0.0007430200000000 ] - [ -0.0025205200000000, 0.0004319400000000, 0.0006538900000000 ] - [ -0.0026723700000000, -0.0004247200000000, 0.0003681700000000 ] - [ -0.0045518300000000, 0.0006648200000000, -0.0014534000000000 ] - [ -0.0018632200000000, 0.0002649300000000, 0.0005561400000000 ] - [ 0.0064560600000000, -0.0006150300000000, 0.0011497300000000 ] - [ -0.0025136600000000, -0.0006121300000000, -0.0014283600000000 ] - [ -0.0023443600000000, -0.0002026800000000, -0.0002059700000000 ] - [ -0.0016250000000000, -0.0006170400000000, 0.0001434900000000 ] - [ -0.0016866700000000, 0.0006162500000000, 0.0001005800000000 ] - [ -0.0001653900000000, 0.0017594400000000, 0.0035413100000000 ] - [ -0.0034899100000000, -0.0005317600000000, -0.0000219900000000 ] - [ -0.0021489000000000, 0.0001984000000000, -0.0008240000000000 ] - [ -0.0020991600000000, -0.0007760400000000, -0.0004894900000000 ] - [ -0.0093958700000000, 0.0048898300000000, -0.0038423100000000 ] - [ -0.0034152700000000, 0.0005136900000000, 0.0000254600000000 ] - [ -0.0032644800000000, -0.0001725000000000, 0.0007810700000000 ] - [ -0.0011813200000000, 0.0003884700000000, -0.0015186300000000 ] - [ -0.0034224900000000, -0.0009408300000000, 0.0031331200000000 ] - [ -0.0024129600000000, 0.0007665400000000, -0.0005798700000000 ] - [ -0.0014496300000000, 0.0003441300000000, 0.0006997600000000 ] - [ -0.0023064300000000, 0.0001991300000000, -0.0002119400000000 ] - [ -0.0027444200000000, -0.0005671800000000, 0.0003583900000000 ] - [ -0.0031794600000000, -0.0003300500000000, -0.0007423300000000 ] - [ -0.0016632100000000, -0.0015485100000000, 0.0031423100000000 ] - [ 0.0021961100000000, 0.0008485000000000, -0.0003926000000000 ] - [ 0.0004936500000000, -0.0004091800000000, 0.0004563700000000 ] - [ 0.0018633700000000, -0.0007378100000000, -0.0003905900000000 ] - [ -0.0376907800000000, -0.0053654600000000, -0.0140559000000000 ] - [ 0.0014848200000000, -0.0010525100000000, -0.0006617500000000 ] - [ 0.0007842800000000, -0.0001842700000000, -0.0002187200000000 ] - [ -0.0017549400000000, -0.0022400900000000, 0.0011684300000000 ] - [ 0.0012437400000000, -0.0002879300000000, 0.0008464600000000 ] - [ -0.0027637000000000, 0.0007587600000000, -0.0028590500000000 ] - [ 0.0011669700000000, 0.0002380900000000, 0.0007659500000000 ] - [ -0.0018480400000000, -0.0009495200000000, 0.0013153600000000 ] - [ 0.0008616300000000, 0.0003405100000000, -0.0009828900000000 ] - [ 0.0012687200000000, 0.0005185600000000, 0.0012059000000000 ] - [ -0.0027480300000000, 0.0005638100000000, -0.0000909500000000 ] - [ 0.0008285500000000, -0.0001743300000000, -0.0006784700000000 ] - [ 0.0015387400000000, 0.0005594500000000, -0.0001825900000000 ] - [ 0.0010271500000000, 0.0001733500000000, -0.0001984600000000 ] - [ -0.0112907400000000, 0.0042989900000000, -0.0038538800000000 ] - [ -0.1688343500000000, 0.1203505700000000, -0.0446716500000000 ] - [ -0.0007494400000000, 0.0002572100000000, -0.0003820300000000 ] - [ -0.0010178700000000, 0.0011312200000000, 0.0048752300000000 ] - [ 0.0021667300000000, 0.0008437900000000, -0.0000134100000000 ] - [ 0.0017053100000000, -0.0008381900000000, 0.0007091400000000 ] - [ 0.0004715500000000, 0.0000388800000000, -0.0016742400000000 ] - [ -0.0018076400000000, -0.0006659800000000, -0.0003428300000000 ] - [ 0.0011258800000000, -0.0000472400000000, 0.0002033400000000 ] - [ 0.0014901700000000, -0.0005202400000000, -0.0006159900000000 ] - [ 0.0029074500000000, -0.0010640400000000, -0.0000253100000000 ] - [ 0.0015446200000000, 0.0011225700000000, -0.0004760300000000 ] - [ 0.0003936200000000, 0.0006129600000000, -0.0038980800000000 ] - [ 0.0018992000000000, 0.0005074700000000, 0.0006913700000000 ] - [ 0.0012556900000000, 0.0009684100000000, 0.0009954300000000 ] - [ 0.0012802000000000, 0.0000989900000000, -0.0008365800000000 ] - [ -0.0042047000000000, 0.0005686100000000, -0.0022376600000000 ] - [ -0.1462238300000000, -0.1084245700000000, 0.0131179200000000 ] - [ 0.0010763600000000, -0.0001547600000000, -0.0002437600000000 ] - [ 0.0013194200000000, -0.0009990000000000, 0.0009816100000000 ] - [ 0.0003002100000000, 0.0005886300000000, 0.0005375600000000 ] - [ -0.0093852000000000, -0.0001851700000000, 0.0021101500000000 ] - [ -0.0027823000000000, 0.0015851300000000, 0.0005274400000000 ] - [ 0.0012726900000000, -0.0008175600000000, 0.0003657200000000 ] - [ 0.0010745500000000, 0.0000528300000000, 0.0002139300000000 ] - [ -0.0002630100000000, 0.0001824600000000, 0.0000934900000000 ] - [ 0.0005953700000000, 0.0001478000000000, -0.0003680400000000 ] - [ -0.0009286200000000, 0.0023717900000000, -0.0058008800000000 ] - [ 0.0005957200000000, 0.0005036600000000, 0.0005748800000000 ] - [ 0.0004295000000000, 0.0003151100000000, -0.0003852600000000 ] - [ 0.0011151400000000, 0.0002926000000000, -0.0004917100000000 ] - [ 0.0006214800000000, -0.0001023600000000, 0.0000598000000000 ] - [ -0.0000564700000000, -0.0004853200000000, 0.0010769000000000 ] - [ 0.0029935600000000, -0.0017383500000000, -0.0001687700000000 ] - [ 0.0006176100000000, 0.0001655400000000, -0.0001131600000000 ] - [ 0.0008617000000000, -0.0005895100000000, 0.0002872100000000 ] - [ 0.0009079000000000, -0.0001783400000000, -0.0004587200000000 ] - [ 0.0011097100000000, -0.0001766400000000, 0.0000042800000000 ] - [ 0.0005841300000000, -0.0000311900000000, -0.0012138900000000 ] - [ 0.0011101600000000, 0.0004212200000000, -0.0004301500000000 ] - [ -0.0002896200000000, 0.0003387000000000, 0.0022345000000000 ] - [ 0.0012059500000000, -0.0004110700000000, 0.0004246600000000 ] - [ 0.0012128900000000, 0.0004046900000000, 0.0004432000000000 ] - [ 0.0008842200000000, 0.0000505800000000, -0.0003873200000000 ] - [ 0.0010896700000000, -0.0004121100000000, -0.0004380000000000 ] - [ 0.0011127500000000, 0.0003375300000000, 0.0002550300000000 ] - [ 0.0009252500000000, 0.0000311900000000, -0.0004766500000000 ] - [ 0.0012961300000000, -0.0004765100000000, -0.0025868100000000 ] - [ 0.0023109500000000, -0.0000005400000000, 0.0005820100000000 ] - [ 0.0004464300000000, -0.0003173300000000, -0.0003923900000000 ] - [ 0.0018673600000000, 0.0002325900000000, 0.0001656500000000 ] - [ 0.0011324400000000, -0.0006254100000000, -0.0004851300000000 ] - [ 0.0022117300000000, 0.0010449400000000, 0.0004551300000000 ] - [ 0.0013670800000000, -0.0003233900000000, -0.0002595200000000 ] - [ 0.0008160200000000, -0.0000704200000000, -0.0003018400000000 ] - [ 0.0010922600000000, 0.0001724200000000, 0.0000103700000000 ] - [ 0.0027843900000000, 0.0002040700000000, 0.0001789800000000 ] - [ 0.0015539200000000, -0.0004956800000000, -0.0000146400000000 ] - [ 0.0020053400000000, -0.0002244300000000, 0.0002082200000000 ] - [ 0.0017950400000000, 0.0014761500000000, -0.0012552700000000 ] - [ 0.0011225800000000, -0.0002996300000000, -0.0004674000000000 ] - [ 0.0017252400000000, 0.0005987700000000, -0.0002151000000000 ] - [ -0.0019282300000000, -0.0003606900000000, -0.0004481800000000 ] - [ 0.0007388700000000, -0.0002716800000000, 0.0000374300000000 ] - [ 0.0006038600000000, -0.0001651300000000, -0.0001134900000000 ] - [ 0.0012989400000000, 0.0004256400000000, -0.0005236900000000 ] - [ -0.0004549600000000, -0.0025680300000000, 0.0031812400000000 ] - [ 0.0062752900000000, -0.0015679200000000, 0.0056460100000000 ] - [ 0.0009081800000000, 0.0000998900000000, -0.0003214100000000 ] - [ 0.0022901900000000, 0.0000037800000000, 0.0005636400000000 ] - [ 0.0012792000000000, -0.0004184300000000, -0.0005177600000000 ] - [ 0.0014266100000000, -0.0006536100000000, -0.0000278500000000 ] - [ -0.0007619300000000, 0.0013087700000000, -0.0007638000000000 ] - [ 0.0005667100000000, 0.0001037900000000, -0.0000129100000000 ] - [ 0.0004333100000000, 0.0000901200000000, -0.0002285100000000 ] - [ 0.0011346900000000, 0.0006255800000000, -0.0004526500000000 ] - [ 0.0011252600000000, 0.0002855800000000, -0.0004309300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000378500000000, 0.0000899100000000, -0.0006554500000000 ] - [ -0.0015203900000000, -0.0012719500000000, 0.0003599200000000 ] - [ 0.0003295000000000, -0.0055411300000000, 0.0010578900000000 ] - [ -0.0009592000000000, 0.0102048400000000, 0.0003263500000000 ] - [ 0.0000442400000000, 0.0001177100000000, -0.0002962800000000 ] - [ -0.0002954000000000, -0.0002558000000000, 0.0001744600000000 ] - [ 0.0000452500000000, -0.0001176500000000, -0.0002989700000000 ] - [ -0.0002955900000000, 0.0002554400000000, 0.0001738400000000 ] - [ -0.0007099800000000, 0.0008452600000000, -0.0003558200000000 ] - [ 0.0011380100000000, -0.0005592800000000, -0.0009973400000000 ] - [ 0.0024149100000000, 0.0087181900000000, 0.0035280500000000 ] - [ 0.0000431300000000, -0.0034037500000000, 0.0001877200000000 ] - [ 0.0002909800000000, 0.0001605500000000, -0.0003550800000000 ] - [ 0.0003149400000000, -0.0001697300000000, -0.0003351700000000 ] - [ 0.0001127900000000, 0.0002434900000000, 0.0001001400000000 ] - [ 0.0001020600000000, -0.0002450200000000, 0.0001035800000000 ] - [ -0.0029980700000000, -0.3737938900000000, -0.0027276500000000 ] - [ 0.0013979400000000, -0.0018889200000000, 0.0013504600000000 ] - [ 0.0013025300000000, 0.0195783100000000, 0.0069952100000000 ] - [ -0.0001405800000000, 0.0006062500000000, 0.0008289300000000 ] - [ 0.0025263900000000, 0.0352562100000000, -0.0037968000000000 ] - [ 0.0003425400000000, 0.0000765800000000, -0.0004236200000000 ] - [ 0.0002853600000000, -0.0002433600000000, -0.0004866000000000 ] - [ -0.0001014300000000, -0.0006211000000000, 0.0008468200000000 ] - [ 0.0015514800000000, -0.0033179800000000, -0.0013136900000000 ] - [ 0.0006590500000000, -0.0002094200000000, 0.0002276600000000 ] - [ 0.0002139100000000, 0.0003336700000000, -0.0001021500000000 ] - [ 0.0001863200000000, -0.0003480000000000, -0.0000063400000000 ] - [ 0.0008002800000000, 0.0020131600000000, -0.0000366700000000 ] - [ 0.0004200800000000, 0.0002347800000000, 0.0000901100000000 ] - [ -0.0006621000000000, 0.0003044600000000, -0.0004081500000000 ] - [ 0.0000614300000000, -0.0002365900000000, -0.0000065300000000 ] - [ 0.0001344300000000, -0.0000410300000000, -0.0000387400000000 ] - [ 0.0007708900000000, -0.0008186300000000, 0.0004257500000000 ] - [ 0.0007744000000000, 0.0008202400000000, 0.0004377300000000 ] - [ -0.0003515800000000, 0.0010587300000000, 0.0012554000000000 ] - [ 0.0006599000000000, 0.0000074800000000, -0.0001747400000000 ] - [ 0.0002193400000000, 0.0000648300000000, -0.0001820300000000 ] - [ 0.0003462300000000, -0.0000341100000000, -0.0000664600000000 ] - [ -0.0005175200000000, -0.0026081200000000, 0.0006151000000000 ] - [ 0.0006512400000000, -0.0000052100000000, -0.0001756900000000 ] - [ 0.0005526800000000, -0.0002001000000000, 0.0000467600000000 ] - [ 0.0002731000000000, 0.0004287000000000, 0.0001772400000000 ] - [ -0.0002772600000000, -0.0003763900000000, -0.0001539400000000 ] - [ 0.0003630400000000, 0.0000381400000000, -0.0000796400000000 ] - [ 0.0004292400000000, 0.0001835200000000, 0.0002345300000000 ] - [ 0.0001311000000000, 0.0000407900000000, -0.0000395100000000 ] - [ 0.0002012800000000, -0.0000428900000000, -0.0002850500000000 ] - [ -0.0001579600000000, 0.0001660000000000, -0.0001869400000000 ] - [ -0.0002972000000000, -0.0000981300000000, -0.0012256800000000 ] - [ -0.0020684300000000, -0.0007347400000000, 0.0000580200000000 ] - [ -0.0002813400000000, -0.0001288700000000, 0.0006017100000000 ] - [ 0.0000111200000000, 0.0002868400000000, 0.0002418800000000 ] - [ 0.0008764300000000, 0.0417742400000000, 0.0567442100000000 ] - [ -0.0001678700000000, -0.0001474500000000, -0.0000095200000000 ] - [ -0.0001197000000000, 0.0000811600000000, -0.0002183000000000 ] - [ 0.0045441400000000, -0.0095474900000000, -0.0036398100000000 ] - [ -0.0006312900000000, 0.0002182900000000, 0.0003194500000000 ] - [ -0.0071339700000000, -0.0018677400000000, -0.0041239700000000 ] - [ -0.0006428000000000, -0.0002160100000000, 0.0003280200000000 ] - [ 0.0005435600000000, -0.0004490400000000, 0.0002441300000000 ] - [ 0.0010449500000000, 0.0014842700000000, 0.0034026000000000 ] - [ -0.0003505600000000, -0.0008289800000000, -0.0008203800000000 ] - [ -0.0009092700000000, -0.0001295000000000, -0.0023161700000000 ] - [ 0.0001417700000000, -0.0000979600000000, 0.0002027800000000 ] - [ 0.0000657900000000, -0.0002670900000000, 0.0002392400000000 ] - [ 0.0000771600000000, 0.0004164300000000, -0.0000447000000000 ] - [ -0.0003525100000000, -0.0016209500000000, 0.0022064200000000 ] - [ -0.1264609800000000, 0.1425131800000000, -0.0484490900000000 ] - [ 0.0002531500000000, 0.0004143000000000, -0.0000550200000000 ] - [ 0.0008857900000000, 0.0009674500000000, 0.0035684800000000 ] - [ -0.0000577400000000, 0.0003324200000000, -0.0003088100000000 ] - [ 0.0000122100000000, 0.0002924000000000, -0.0002098100000000 ] - [ -0.0001065500000000, -0.0000619200000000, 0.0001843300000000 ] - [ 0.0003554600000000, 0.0001585900000000, -0.0002958900000000 ] - [ -0.0000360700000000, -0.0005377700000000, 0.0003605700000000 ] - [ 0.0001567800000000, -0.0000319700000000, -0.0001306400000000 ] - [ 0.0007381000000000, -0.0010796600000000, -0.0007402000000000 ] - [ -0.0001003300000000, 0.0001994000000000, -0.0000582100000000 ] - [ -0.0000518700000000, -0.0036189600000000, -0.0005218100000000 ] - [ 0.0004851900000000, 0.0001026600000000, -0.0003169300000000 ] - [ -0.0002703500000000, 0.0003115300000000, 0.0007479100000000 ] - [ -0.0004221700000000, -0.0006382400000000, 0.0002804200000000 ] - [ -0.0003589100000000, 0.0000990100000000, -0.0000274200000000 ] - [ 0.1283040100000000, 0.1482629000000000, -0.0130119300000000 ] - [ 0.0000698400000000, -0.0004155200000000, -0.0000443900000000 ] - [ -0.0002815700000000, -0.0003071400000000, 0.0007440900000000 ] - [ -0.0001543700000000, 0.0003890200000000, 0.0000632000000000 ] - [ -0.0006130900000000, 0.0024891500000000, -0.0016322700000000 ] - [ 0.0003746400000000, 0.0000419600000000, -0.0001275200000000 ] - [ 0.0001880800000000, -0.0003119100000000, -0.0002859300000000 ] - [ -0.0000324000000000, 0.0005367300000000, 0.0003786000000000 ] - [ -0.0001766600000000, 0.0000565700000000, 0.0000723300000000 ] - [ -0.0001070400000000, -0.0000655600000000, -0.0000836000000000 ] - [ -0.0016517600000000, -0.0032817700000000, 0.0028169500000000 ] - [ -0.0002917200000000, 0.0001051900000000, 0.0005553400000000 ] - [ -0.0005813500000000, 0.0001230500000000, -0.0003448200000000 ] - [ -0.0003706200000000, -0.0005153800000000, -0.0001402700000000 ] - [ -0.0002139600000000, -0.0001169200000000, -0.0000246600000000 ] - [ -0.0002683500000000, -0.0000964100000000, 0.0004114600000000 ] - [ -0.0001248000000000, 0.0004469800000000, 0.0003004200000000 ] - [ -0.0004879800000000, 0.0000177200000000, -0.0005102900000000 ] - [ -0.0001401600000000, -0.0001905800000000, -0.0000944100000000 ] - [ -0.0000956400000000, 0.0000550500000000, -0.0001115500000000 ] - [ 0.0001836800000000, 0.0000383600000000, 0.0001769200000000 ] - [ -0.0007203300000000, 0.0002946700000000, 0.0001610200000000 ] - [ -0.0001201600000000, 0.0000350500000000, -0.0004899900000000 ] - [ -0.0008581200000000, -0.0003034300000000, 0.0001768000000000 ] - [ 0.0002770100000000, -0.0006669200000000, 0.0004063900000000 ] - [ 0.0002769400000000, 0.0006684700000000, 0.0004028000000000 ] - [ -0.0000200100000000, 0.0000440500000000, -0.0002012200000000 ] - [ -0.0001198100000000, -0.0000370800000000, -0.0004871100000000 ] - [ 0.0001038100000000, -0.0002124400000000, -0.0000243300000000 ] - [ 0.0001488200000000, -0.0002090400000000, 0.0002036600000000 ] - [ 0.0005921500000000, -0.0000540500000000, -0.0008456100000000 ] - [ -0.0000341100000000, -0.0000240400000000, -0.0001005900000000 ] - [ -0.0005822100000000, -0.0001223700000000, -0.0003443700000000 ] - [ 0.0000332800000000, 0.0001351000000000, -0.0003885400000000 ] - [ -0.0004273000000000, 0.0000218500000000, -0.0002620000000000 ] - [ 0.0000287500000000, 0.0002859800000000, -0.0003385800000000 ] - [ 0.0000918100000000, 0.0002086800000000, 0.0000415000000000 ] - [ -0.0000154500000000, -0.0000410600000000, -0.0002122000000000 ] - [ 0.0001846200000000, -0.0000371600000000, 0.0001798700000000 ] - [ 0.0001955000000000, -0.0006923900000000, 0.0004699400000000 ] - [ 0.0002257600000000, -0.0000616900000000, -0.0002288200000000 ] - [ 0.0000238700000000, -0.0001386600000000, -0.0003870300000000 ] - [ -0.0001526500000000, 0.0001374300000000, 0.0000173300000000 ] - [ -0.0003732600000000, 0.0005168000000000, -0.0001411000000000 ] - [ 0.0002301800000000, 0.0000580300000000, -0.0002114500000000 ] - [ -0.0003184900000000, 0.0002413100000000, 0.0005919500000000 ] - [ -0.0002628000000000, -0.0004692400000000, 0.0001440700000000 ] - [ -0.0004857500000000, -0.0000178900000000, -0.0005097800000000 ] - [ 0.0001234500000000, -0.0000733900000000, -0.0002452300000000 ] - [ 0.0004369800000000, -0.0002512800000000, 0.0002858000000000 ] - [ -0.0013354300000000, -0.0005684000000000, 0.0017785600000000 ] - [ -0.0002653800000000, 0.0004800500000000, 0.0001675100000000 ] - [ -0.0000297200000000, 0.0000241700000000, -0.0000993400000000 ] - [ 0.0001251100000000, 0.0000722700000000, -0.0002463500000000 ] - [ 0.0001020900000000, -0.0003109200000000, -0.0003177300000000 ] - [ -0.0000245100000000, 0.0006514200000000, -0.0000894800000000 ] - [ -0.0002109600000000, 0.0001197200000000, -0.0000257600000000 ] - [ -0.0001012700000000, -0.0000881900000000, -0.0001955800000000 ] - [ -0.0004301800000000, -0.0000231900000000, -0.0002627500000000 ] - [ -0.0002777300000000, 0.0000993600000000, 0.0007436300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000117200000000, 0.0001470100000000, 0.0000701500000000 ] - [ 0.0008363800000000, 0.0007389200000000, 0.0000119400000000 ] - [ -0.0003529100000000, 0.0052930200000000, -0.0016679700000000 ] - [ 0.0003526900000000, -0.0096830900000000, 0.0001080400000000 ] - [ -0.0000784000000000, 0.0001191200000000, -0.0003013300000000 ] - [ -0.0003943100000000, -0.0002629000000000, 0.0001572200000000 ] - [ -0.0000796800000000, -0.0001197300000000, -0.0002987600000000 ] - [ -0.0003942000000000, 0.0002626700000000, 0.0001577700000000 ] - [ 0.0009452600000000, -0.0005425600000000, -0.0003579700000000 ] - [ -0.0009590000000000, 0.0002557600000000, 0.0003078200000000 ] - [ -0.0025334400000000, -0.0080797800000000, -0.0034873300000000 ] - [ -0.0001963000000000, 0.0028945400000000, 0.0000948900000000 ] - [ -0.0000852400000000, 0.0001419300000000, -0.0003450700000000 ] - [ -0.0001087100000000, -0.0001317900000000, -0.0003672200000000 ] - [ -0.0003163400000000, 0.0002666500000000, 0.0001012300000000 ] - [ -0.0003055300000000, -0.0002655000000000, 0.0000975100000000 ] - [ -0.0100586100000000, 0.3717800900000000, 0.0013958700000000 ] - [ -0.0001052000000000, 0.0002491500000000, -0.0004949800000000 ] - [ -0.0003378900000000, -0.0178397800000000, -0.0058634800000000 ] - [ -0.0004395600000000, 0.0005391700000000, 0.0008379000000000 ] - [ -0.0016225500000000, -0.0352856800000000, 0.0035738100000000 ] - [ -0.0002511200000000, 0.0000924700000000, -0.0000367900000000 ] - [ 0.0001211600000000, 0.0000874700000000, 0.0003007300000000 ] - [ -0.0004805100000000, -0.0005236200000000, 0.0008197100000000 ] - [ -0.0006728700000000, 0.0033594500000000, 0.0009908700000000 ] - [ 0.0000215200000000, -0.0002331700000000, 0.0001518400000000 ] - [ -0.0001577000000000, 0.0003618100000000, 0.0000607100000000 ] - [ -0.0001303200000000, -0.0003472900000000, -0.0000374800000000 ] - [ -0.0004250000000000, -0.0018481400000000, -0.0001780400000000 ] - [ 0.0002676000000000, 0.0002070200000000, 0.0002916200000000 ] - [ 0.0006684100000000, -0.0002051000000000, 0.0003433300000000 ] - [ 0.0000379400000000, 0.0000686500000000, -0.0004696300000000 ] - [ -0.0001701400000000, -0.0000604100000000, -0.0000606700000000 ] - [ 0.0004769400000000, -0.0007956500000000, 0.0004000400000000 ] - [ 0.0004729000000000, 0.0007938900000000, 0.0003874800000000 ] - [ -0.0002250500000000, 0.0001027900000000, 0.0004454900000000 ] - [ 0.0001477600000000, -0.0000598800000000, -0.0001542400000000 ] - [ -0.0001201100000000, 0.0001018000000000, -0.0002875800000000 ] - [ 0.0000431400000000, -0.0001296200000000, -0.0001365300000000 ] - [ -0.0000550700000000, 0.0014208400000000, 0.0010120000000000 ] - [ 0.0001566300000000, 0.0000576500000000, -0.0001526200000000 ] - [ 0.0001281100000000, -0.0002417000000000, 0.0003261100000000 ] - [ -0.0002022600000000, 0.0002680500000000, -0.0002238800000000 ] - [ 0.0003128700000000, -0.0003231000000000, 0.0001181900000000 ] - [ 0.0000246100000000, 0.0001257200000000, -0.0001254900000000 ] - [ 0.0002572500000000, 0.0002581600000000, 0.0001505800000000 ] - [ -0.0001667300000000, 0.0000606200000000, -0.0000599100000000 ] - [ -0.0001100700000000, -0.0001270200000000, -0.0001814200000000 ] - [ -0.0009012900000000, 0.0000950300000000, -0.0005206400000000 ] - [ -0.0002883500000000, -0.0008447200000000, 0.0009090900000000 ] - [ 0.0017521100000000, 0.0005028400000000, -0.0001011000000000 ] - [ -0.0001891900000000, -0.0001475700000000, 0.0005475300000000 ] - [ 0.0002730200000000, 0.0001507200000000, 0.0001719600000000 ] - [ -0.0016129400000000, -0.0415177100000000, -0.0585548900000000 ] - [ 0.0000976600000000, -0.0003031500000000, -0.0001214600000000 ] - [ -0.0000064200000000, 0.0000415200000000, -0.0000995600000000 ] - [ -0.0038024000000000, 0.0096947100000000, 0.0038689800000000 ] - [ -0.0004173600000000, 0.0001581900000000, 0.0003867300000000 ] - [ 0.0069612400000000, 0.0017671400000000, 0.0032528000000000 ] - [ -0.0004061700000000, -0.0001603300000000, 0.0003777800000000 ] - [ 0.0001088200000000, -0.0008538100000000, 0.0005634700000000 ] - [ -0.0003935500000000, -0.0001656500000000, -0.0026037900000000 ] - [ 0.0004241300000000, 0.0009153500000000, 0.0004093500000000 ] - [ 0.0007749800000000, 0.0000194800000000, 0.0013138400000000 ] - [ 0.0001954000000000, -0.0002615400000000, -0.0001982700000000 ] - [ 0.0002158800000000, -0.0001715900000000, 0.0001755300000000 ] - [ 0.0001895900000000, 0.0003847100000000, -0.0000654100000000 ] - [ 0.0004672300000000, 0.0015557300000000, -0.0023427300000000 ] - [ 0.1315192100000000, -0.1468492000000000, 0.0501851100000000 ] - [ 0.0000143100000000, -0.0001303400000000, -0.0006615800000000 ] - [ -0.0015812900000000, -0.0009905000000000, -0.0041045000000000 ] - [ 0.0004004200000000, 0.0003368300000000, -0.0002811000000000 ] - [ 0.0003302100000000, 0.0000590800000000, 0.0002270700000000 ] - [ 0.0001787700000000, -0.0000235900000000, -0.0006283700000000 ] - [ 0.0001149600000000, -0.0002101000000000, 0.0006058800000000 ] - [ 0.0001063500000000, -0.0004769500000000, 0.0003601000000000 ] - [ 0.0004754900000000, -0.0001495500000000, -0.0003002800000000 ] - [ -0.0004433200000000, 0.0007877300000000, 0.0000350200000000 ] - [ 0.0000288800000000, 0.0002494200000000, -0.0000715300000000 ] - [ -0.0004704000000000, 0.0045228800000000, 0.0001440800000000 ] - [ 0.0001416100000000, 0.0000766400000000, -0.0001038800000000 ] - [ -0.0000900400000000, 0.0003895700000000, 0.0007734100000000 ] - [ 0.0000331800000000, -0.0002757000000000, -0.0000121900000000 ] - [ -0.0005029600000000, -0.0001428200000000, -0.0009768000000000 ] - [ -0.1211758100000000, -0.1426365100000000, 0.0118521200000000 ] - [ 0.0001973500000000, -0.0003855900000000, -0.0000658600000000 ] - [ -0.0000782000000000, -0.0003944400000000, 0.0007771300000000 ] - [ -0.0002444100000000, 0.0005308800000000, 0.0002122200000000 ] - [ 0.0007819800000000, -0.0024292400000000, 0.0014982600000000 ] - [ -0.0000016700000000, 0.0000515000000000, -0.0004005800000000 ] - [ 0.0001455400000000, -0.0003575500000000, -0.0003038700000000 ] - [ 0.0001024000000000, 0.0004782000000000, 0.0003412800000000 ] - [ -0.0001570100000000, 0.0001803700000000, -0.0001215900000000 ] - [ -0.0000198300000000, -0.0000577800000000, -0.0002374200000000 ] - [ 0.0010232900000000, 0.0033256500000000, -0.0034219000000000 ] - [ -0.0001782300000000, 0.0001719100000000, 0.0005951700000000 ] - [ -0.0004576000000000, 0.0001460300000000, -0.0003497900000000 ] - [ -0.0001903200000000, -0.0004172700000000, -0.0001827500000000 ] - [ -0.0001114600000000, -0.0001175200000000, -0.0000195000000000 ] - [ -0.0002057700000000, -0.0001791600000000, 0.0007357300000000 ] - [ 0.0004057100000000, -0.0000069500000000, 0.0001181200000000 ] - [ -0.0003514300000000, 0.0000359300000000, -0.0004610800000000 ] - [ 0.0000639800000000, -0.0002557200000000, -0.0000316300000000 ] - [ -0.0000286400000000, 0.0000658000000000, -0.0002052900000000 ] - [ 0.0002966500000000, 0.0000113800000000, 0.0001586000000000 ] - [ -0.0003138100000000, 0.0000721500000000, 0.0005314200000000 ] - [ 0.0000292400000000, 0.0000835800000000, -0.0004803300000000 ] - [ -0.0002081000000000, -0.0000744400000000, 0.0005303900000000 ] - [ 0.0003906800000000, -0.0006370200000000, 0.0004063600000000 ] - [ 0.0003911400000000, 0.0006350600000000, 0.0004099900000000 ] - [ 0.0000921100000000, 0.0000432800000000, -0.0002289600000000 ] - [ 0.0000290300000000, -0.0000815100000000, -0.0004832500000000 ] - [ 0.0002350600000000, -0.0001428500000000, 0.0000357100000000 ] - [ 0.0001326300000000, -0.0002310100000000, 0.0002075900000000 ] - [ -0.0003135400000000, 0.0008425800000000, 0.0007058500000000 ] - [ 0.0002556400000000, -0.0000211500000000, -0.0000158700000000 ] - [ -0.0004564100000000, -0.0001463300000000, -0.0003506900000000 ] - [ 0.0002578800000000, 0.0001501900000000, -0.0003167300000000 ] - [ -0.0002380800000000, -0.0000563300000000, -0.0002880700000000 ] - [ 0.0003111100000000, 0.0003844700000000, -0.0002496900000000 ] - [ 0.0002487500000000, 0.0001466000000000, -0.0000297600000000 ] - [ 0.0000870100000000, -0.0000460000000000, -0.0002177000000000 ] - [ 0.0002957300000000, -0.0000125100000000, 0.0001556100000000 ] - [ -0.0000904700000000, -0.0002887500000000, 0.0002736400000000 ] - [ 0.0004023300000000, -0.0001182900000000, -0.0001973600000000 ] - [ 0.0002676000000000, -0.0001472000000000, -0.0003173800000000 ] - [ 0.0000882500000000, 0.0003170200000000, -0.0001525600000000 ] - [ -0.0001878100000000, 0.0004157500000000, -0.0001817100000000 ] - [ 0.0004003100000000, 0.0001228000000000, -0.0002154400000000 ] - [ -0.0000566700000000, 0.0004525900000000, 0.0009130800000000 ] - [ -0.0001313900000000, -0.0004476400000000, 0.0001287200000000 ] - [ -0.0003538500000000, -0.0000354700000000, -0.0004616300000000 ] - [ 0.0002679000000000, -0.0000117100000000, -0.0002798500000000 ] - [ -0.0001735400000000, -0.0005533100000000, -0.0003651600000000 ] - [ 0.0009371900000000, -0.0001621700000000, -0.0002393000000000 ] - [ -0.0001273300000000, 0.0004360300000000, 0.0001033100000000 ] - [ 0.0002516600000000, 0.0000214100000000, -0.0000179700000000 ] - [ 0.0002660000000000, 0.0000126700000000, -0.0002792000000000 ] - [ 0.0002355200000000, -0.0003576500000000, -0.0002734800000000 ] - [ 0.0000819800000000, 0.0003764400000000, 0.0007908000000000 ] - [ -0.0001153900000000, 0.0001152900000000, -0.0000196200000000 ] - [ -0.0000268000000000, -0.0000361800000000, -0.0001255500000000 ] - [ -0.0002355200000000, 0.0000575700000000, -0.0002869700000000 ] - [ -0.0001883900000000, 0.0001804600000000, 0.0004103400000000 ]- atom: 17 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0004920400000000, 0.0000628200000000, 0.0012974500000000 ] - [ -0.0027025800000000, -0.0003849300000000, 0.0078528600000000 ] - [ 0.0048375500000000, 0.0010473900000000, -0.0015191300000000 ] - [ 0.0026740000000000, -0.0014170800000000, 0.0029998200000000 ] - [ 0.0000494100000000, 0.0001206400000000, -0.0002860000000000 ] - [ -0.0002994600000000, -0.0002559100000000, 0.0001767400000000 ] - [ 0.0000214900000000, -0.0001142500000000, -0.0003101000000000 ] - [ -0.0003048000000000, 0.0002563400000000, 0.0001692500000000 ] - [ 0.0037042800000000, -0.0000400000000000, -0.0001244800000000 ] - [ -0.0046573800000000, -0.0000602900000000, -0.0004848500000000 ] - [ 0.0182585900000000, 0.0131629700000000, 0.0101898600000000 ] - [ -0.0080212500000000, -0.0005659900000000, 0.0129861600000000 ] - [ 0.0001853300000000, 0.0001496000000000, -0.0003108600000000 ] - [ 0.0003711100000000, -0.0001808400000000, -0.0003677900000000 ] - [ 0.0000594300000000, 0.0002492600000000, 0.0001053200000000 ] - [ 0.0000983700000000, -0.0002423000000000, 0.0000976600000000 ] - [ -0.0255107300000000, 0.0007846600000000, -0.3261931500000000 ] - [ 0.0041604300000000, -0.0020346100000000, 0.0079235400000000 ] - [ -0.0127254500000000, -0.0028574800000000, -0.0213453300000000 ] - [ -0.0000627500000000, 0.0006431900000000, 0.0008979700000000 ] - [ -0.0240129800000000, 0.0118340800000000, -0.0086951100000000 ] - [ -0.0007674000000000, 0.0004012900000000, 0.0004489700000000 ] - [ 0.0013220000000000, 0.0010586500000000, 0.0029134000000000 ] - [ -0.0002281300000000, -0.0005729400000000, 0.0007746000000000 ] - [ 0.0094735400000000, -0.0016490500000000, 0.0090263400000000 ] - [ 0.0000890800000000, -0.0003143900000000, -0.0003057400000000 ] - [ 0.0000729600000000, 0.0003832400000000, 0.0001651500000000 ] - [ 0.0002807100000000, -0.0002986600000000, -0.0002656700000000 ] - [ -0.0003160800000000, 0.0007302700000000, -0.0030875800000000 ] - [ 0.0008814400000000, 0.0001351200000000, 0.0006168800000000 ] - [ -0.0010992700000000, 0.0004161900000000, 0.0069773400000000 ] - [ 0.0011375800000000, 0.0002741900000000, -0.0008538600000000 ] - [ 0.0001087300000000, -0.0000419200000000, -0.0000512700000000 ] - [ 0.0007562600000000, -0.0008225400000000, 0.0004610900000000 ] - [ 0.0007483400000000, 0.0008135700000000, 0.0003970600000000 ] - [ -0.0019827900000000, 0.0008252200000000, 0.0040748200000000 ] - [ 0.0006344200000000, 0.0000027200000000, -0.0001925400000000 ] - [ 0.0005713700000000, -0.0000616800000000, -0.0000442900000000 ] - [ 0.0003660800000000, -0.0000154700000000, 0.0000774000000000 ] - [ 0.0047994500000000, -0.0028492400000000, -0.0038277000000000 ] - [ 0.0006081300000000, -0.0000003200000000, -0.0001542900000000 ] - [ 0.0008129500000000, -0.0003611400000000, -0.0009407500000000 ] - [ 0.0019035400000000, 0.0007139700000000, 0.0015185200000000 ] - [ -0.0023365900000000, -0.0001427900000000, -0.0015328600000000 ] - [ 0.0002987400000000, 0.0000730700000000, -0.0002381700000000 ] - [ 0.0002006200000000, 0.0000629500000000, 0.0010058200000000 ] - [ 0.0001152700000000, 0.0000426500000000, -0.0000295800000000 ] - [ -0.0002745400000000, -0.0002345000000000, -0.0004286300000000 ] - [ -0.0007269000000000, -0.0006207800000000, -0.0029974800000000 ] - [ -0.0028751700000000, -0.0021148900000000, -0.0005199200000000 ] - [ 0.0002608900000000, 0.0002419000000000, 0.0012271500000000 ] - [ -0.0002920200000000, -0.0000637100000000, 0.0004631700000000 ] - [ 0.0001898400000000, 0.0002267900000000, 0.0002438900000000 ] - [ -0.0063980200000000, 0.0495391300000000, 0.2214024900000000 ] - [ 0.0000594200000000, -0.0003083500000000, -0.0001283300000000 ] - [ -0.0001245600000000, 0.0000022600000000, 0.0001828200000000 ] - [ -0.0053823300000000, -0.0040692100000000, 0.0173427700000000 ] - [ -0.0006584600000000, 0.0002129000000000, 0.0003428100000000 ] - [ 0.0092559100000000, 0.0051887200000000, 0.0033545200000000 ] - [ -0.0005842100000000, -0.0002115700000000, 0.0003132700000000 ] - [ -0.0006060100000000, -0.0024001800000000, -0.0038923900000000 ] - [ 0.0027351600000000, -0.0004998700000000, 0.0051969800000000 ] - [ -0.0009744100000000, 0.0002389900000000, 0.0017486600000000 ] - [ -0.0019882800000000, 0.0009890600000000, -0.0063198900000000 ] - [ -0.0000282000000000, -0.0006964300000000, -0.0007837400000000 ] - [ -0.0000775000000000, -0.0003109200000000, 0.0002223500000000 ] - [ 0.0000666600000000, 0.0004077500000000, -0.0000506700000000 ] - [ 0.0064952200000000, -0.0004489200000000, -0.0029145900000000 ] - [ 0.0539159400000000, -0.0512691700000000, 0.0506847000000000 ] - [ -0.0027782700000000, -0.0000911400000000, -0.0023909100000000 ] - [ -0.0030059400000000, 0.0014485700000000, -0.0016129500000000 ] - [ 0.0007799400000000, 0.0003340000000000, -0.0000573500000000 ] - [ 0.0002155000000000, -0.0002293200000000, 0.0007586100000000 ] - [ 0.0008848300000000, -0.0000537300000000, -0.0023987100000000 ] - [ 0.0016469900000000, -0.0000475200000000, -0.0052250800000000 ] - [ -0.0000198800000000, -0.0005295400000000, 0.0004219900000000 ] - [ 0.0011564600000000, -0.0003849200000000, -0.0007001400000000 ] - [ 0.0025112300000000, 0.0001990700000000, 0.0019471100000000 ] - [ -0.0003086600000000, 0.0000413400000000, 0.0000541900000000 ] - [ 0.0029900400000000, -0.0000303000000000, -0.0002837600000000 ] - [ -0.0006395500000000, -0.0001936700000000, 0.0001083300000000 ] - [ -0.0002850300000000, 0.0003062500000000, 0.0007366900000000 ] - [ 0.0003840500000000, -0.0000739500000000, 0.0001020500000000 ] - [ -0.0000821500000000, 0.0014222200000000, -0.0048130700000000 ] - [ -0.0183428700000000, -0.0165883100000000, 0.0360251200000000 ] - [ 0.0000971100000000, -0.0004196500000000, -0.0000434400000000 ] - [ -0.0002394200000000, -0.0003245200000000, 0.0007620800000000 ] - [ -0.0008099000000000, 0.0007974400000000, 0.0002028500000000 ] - [ -0.0041715000000000, 0.0002426500000000, -0.0107379900000000 ] - [ 0.0009082200000000, -0.0007897100000000, -0.0029677500000000 ] - [ -0.0005752000000000, -0.0002606800000000, -0.0005629000000000 ] - [ -0.0000297600000000, 0.0005358200000000, 0.0003173000000000 ] - [ -0.0006154500000000, 0.0003880200000000, -0.0009843400000000 ] - [ -0.0000866900000000, -0.0001474500000000, -0.0004833300000000 ] - [ 0.0043208500000000, -0.0022372200000000, 0.0002804400000000 ] - [ -0.0002675500000000, 0.0001741500000000, 0.0006901900000000 ] - [ -0.0005760800000000, 0.0001236800000000, -0.0003500700000000 ] - [ -0.0003470000000000, -0.0005038000000000, -0.0001488300000000 ] - [ -0.0002026400000000, -0.0000996700000000, 0.0000229900000000 ] - [ -0.0003327600000000, 0.0001339000000000, -0.0006173300000000 ] - [ -0.0008628100000000, 0.0009694200000000, 0.0007677400000000 ] - [ -0.0004760700000000, 0.0000217900000000, -0.0005018100000000 ] - [ -0.0006434600000000, -0.0000028400000000, 0.0000038500000000 ] - [ 0.0000100100000000, -0.0002191000000000, 0.0003903800000000 ] - [ 0.0001912400000000, 0.0000327400000000, 0.0001893300000000 ] - [ 0.0027135900000000, -0.0001058500000000, 0.0006136700000000 ] - [ -0.0001101900000000, 0.0000440800000000, -0.0004791800000000 ] - [ -0.0034569600000000, -0.0000728000000000, -0.0007047500000000 ] - [ 0.0002846000000000, -0.0006704000000000, 0.0003942800000000 ] - [ 0.0002861600000000, 0.0006602100000000, 0.0004150600000000 ] - [ -0.0000105100000000, 0.0000538800000000, -0.0001640400000000 ] - [ -0.0001079800000000, -0.0000345300000000, -0.0004980300000000 ] - [ 0.0000511400000000, -0.0002322000000000, -0.0001745800000000 ] - [ 0.0005767200000000, 0.0000414800000000, -0.0001330200000000 ] - [ 0.0022087400000000, -0.0009821300000000, -0.0018990700000000 ] - [ -0.0000179100000000, -0.0000246400000000, -0.0000968900000000 ] - [ -0.0005704200000000, -0.0001260900000000, -0.0003396500000000 ] - [ 0.0000358600000000, 0.0001186200000000, -0.0004178300000000 ] - [ -0.0003991900000000, 0.0000093800000000, -0.0002737500000000 ] - [ -0.0000704800000000, 0.0003176000000000, -0.0002418700000000 ] - [ 0.0001635700000000, 0.0001834200000000, 0.0002367700000000 ] - [ -0.0000117500000000, -0.0000330400000000, -0.0002505500000000 ] - [ 0.0001938100000000, -0.0000377800000000, 0.0001656900000000 ] - [ 0.0017488400000000, 0.0028508100000000, 0.0052048600000000 ] - [ 0.0001323900000000, -0.0000332100000000, -0.0002513600000000 ] - [ 0.0000487800000000, -0.0001596800000000, -0.0003471600000000 ] - [ 0.0006494800000000, 0.0005189500000000, -0.0001321100000000 ] - [ -0.0003722600000000, 0.0005156200000000, -0.0001380300000000 ] - [ 0.0003717500000000, 0.0000995600000000, -0.0001875300000000 ] - [ 0.0005672200000000, 0.0005201100000000, -0.0011415200000000 ] - [ -0.0003298100000000, -0.0004637900000000, 0.0001702000000000 ] - [ -0.0004781400000000, -0.0000167400000000, -0.0005117500000000 ] - [ 0.0001336500000000, -0.0000707500000000, -0.0002427600000000 ] - [ -0.0031598300000000, -0.0020321500000000, 0.0010068900000000 ] - [ -0.0061124200000000, 0.0000583800000000, 0.0062887800000000 ] - [ -0.0001661500000000, 0.0004833300000000, 0.0001332200000000 ] - [ -0.0000053600000000, 0.0000241200000000, -0.0000928900000000 ] - [ 0.0001346600000000, 0.0000668600000000, -0.0002534100000000 ] - [ 0.0001635600000000, -0.0002771800000000, -0.0004146300000000 ] - [ -0.0005535400000000, 0.0016917400000000, -0.0020160900000000 ] - [ -0.0002090400000000, 0.0001347800000000, -0.0000704800000000 ] - [ -0.0001610100000000, -0.0002789200000000, -0.0005766000000000 ] - [ -0.0004327100000000, -0.0000255600000000, -0.0002554700000000 ] - [ -0.0001966600000000, 0.0005812900000000, 0.0020912800000000 ]- atom: 17 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0004716700000000, 0.0001728100000000, -0.0018826600000000 ] - [ 0.0020617000000000, -0.0001176000000000, -0.0076069900000000 ] - [ -0.0048977500000000, -0.0012806900000000, 0.0008578100000000 ] - [ -0.0033263100000000, 0.0019085700000000, -0.0027164500000000 ] - [ -0.0000811300000000, 0.0001161100000000, -0.0003114900000000 ] - [ -0.0003880300000000, -0.0002627600000000, 0.0001553500000000 ] - [ -0.0000532700000000, -0.0001231100000000, -0.0002872200000000 ] - [ -0.0003828200000000, 0.0002617000000000, 0.0001626800000000 ] - [ -0.0034451400000000, 0.0003393300000000, -0.0006030500000000 ] - [ 0.0048535700000000, -0.0002341000000000, -0.0001819500000000 ] - [ -0.0185164000000000, -0.0127449100000000, -0.0100370000000000 ] - [ 0.0077454400000000, 0.0000500000000000, -0.0127106200000000 ] - [ 0.0000282100000000, 0.0001531700000000, -0.0003899700000000 ] - [ -0.0001566400000000, -0.0001215800000000, -0.0003325600000000 ] - [ -0.0002538700000000, 0.0002600700000000, 0.0000959900000000 ] - [ -0.0002927700000000, -0.0002676500000000, 0.0001028400000000 ] - [ 0.0266668100000000, 0.0051606600000000, 0.3402625600000000 ] - [ -0.0029376500000000, 0.0004263700000000, -0.0071063400000000 ] - [ 0.0139384300000000, 0.0044373000000000, 0.0219618700000000 ] - [ -0.0005108100000000, 0.0005048900000000, 0.0007680400000000 ] - [ 0.0248752400000000, -0.0119667500000000, 0.0088718600000000 ] - [ 0.0008668400000000, -0.0002348700000000, -0.0009014400000000 ] - [ -0.0008961600000000, -0.0012023400000000, -0.0030897000000000 ] - [ -0.0003486400000000, -0.0005737500000000, 0.0008918900000000 ] - [ -0.0084642100000000, 0.0016636800000000, -0.0092891600000000 ] - [ 0.0005947200000000, -0.0001259700000000, 0.0006851500000000 ] - [ -0.0000090300000000, 0.0003104000000000, -0.0002064300000000 ] - [ -0.0002182400000000, -0.0003947700000000, 0.0002199500000000 ] - [ 0.0006689900000000, -0.0005702500000000, 0.0028675100000000 ] - [ -0.0001844200000000, 0.0003043600000000, -0.0002369500000000 ] - [ 0.0010770300000000, -0.0003159000000000, -0.0070482500000000 ] - [ -0.0010304300000000, -0.0004419500000000, 0.0003693500000000 ] - [ -0.0001378300000000, -0.0000592000000000, -0.0000471200000000 ] - [ 0.0004977700000000, -0.0007925200000000, 0.0003658300000000 ] - [ 0.0005047100000000, 0.0008014200000000, 0.0004289800000000 ] - [ 0.0013971100000000, 0.0003180700000000, -0.0024094400000000 ] - [ 0.0001844200000000, -0.0000539900000000, -0.0001370600000000 ] - [ -0.0004685000000000, 0.0002301900000000, -0.0004212600000000 ] - [ 0.0000291800000000, -0.0001464800000000, -0.0002803900000000 ] - [ -0.0053782000000000, 0.0016927300000000, 0.0054962900000000 ] - [ 0.0002106300000000, 0.0000515500000000, -0.0001752500000000 ] - [ -0.0001195500000000, -0.0000793700000000, 0.0013165100000000 ] - [ -0.0018405000000000, -0.0000194900000000, -0.0015545000000000 ] - [ 0.0023928200000000, -0.0005444500000000, 0.0014792000000000 ] - [ 0.0000971000000000, 0.0000887000000000, 0.0000352300000000 ] - [ 0.0004871500000000, 0.0003769100000000, -0.0006254700000000 ] - [ -0.0001443000000000, 0.0000583300000000, -0.0000688000000000 ] - [ 0.0003769500000000, 0.0000660900000000, -0.0000411000000000 ] - [ -0.0003242000000000, 0.0008914000000000, 0.0022982100000000 ] - [ 0.0022683600000000, 0.0011526500000000, 0.0002201600000000 ] - [ -0.0005602100000000, -0.0004703100000000, -0.0012759100000000 ] - [ -0.0001814000000000, -0.0002101100000000, 0.0006841600000000 ] - [ 0.0000929500000000, 0.0002112000000000, 0.0001688400000000 ] - [ 0.0046627400000000, -0.0544384800000000, -0.2355760100000000 ] - [ -0.0001355900000000, -0.0001380900000000, -0.0000005900000000 ] - [ -0.0000028400000000, 0.0001197000000000, -0.0004980700000000 ] - [ 0.0057891900000000, 0.0042162400000000, -0.0170031000000000 ] - [ -0.0003941300000000, 0.0001627200000000, 0.0003627000000000 ] - [ -0.0093258400000000, -0.0050492400000000, -0.0042059400000000 ] - [ -0.0004694800000000, -0.0001645300000000, 0.0003915300000000 ] - [ 0.0012796200000000, 0.0010875200000000, 0.0047024800000000 ] - [ -0.0021489200000000, 0.0018194500000000, -0.0043097800000000 ] - [ 0.0010523000000000, -0.0001488600000000, -0.0021457400000000 ] - [ 0.0019118200000000, -0.0010963700000000, 0.0053628800000000 ] - [ 0.0003597800000000, 0.0003311500000000, 0.0007823500000000 ] - [ 0.0003554500000000, -0.0001295400000000, 0.0001929100000000 ] - [ 0.0001968900000000, 0.0003939100000000, -0.0000604600000000 ] - [ -0.0064073200000000, 0.0003483900000000, 0.0027062500000000 ] - [ -0.0546274500000000, 0.0504732500000000, -0.0522281100000000 ] - [ 0.0030182100000000, 0.0003740500000000, 0.0016635300000000 ] - [ 0.0022898100000000, -0.0014572800000000, 0.0010783000000000 ] - [ -0.0004395200000000, 0.0003326800000000, -0.0005366500000000 ] - [ 0.0001281000000000, 0.0005789600000000, -0.0007370400000000 ] - [ -0.0008172900000000, -0.0000309400000000, 0.0019489200000000 ] - [ -0.0011593300000000, -0.0000001900000000, 0.0055446300000000 ] - [ 0.0000872500000000, -0.0004855200000000, 0.0003003800000000 ] - [ -0.0005317300000000, 0.0002055500000000, 0.0002649500000000 ] - [ -0.0022098000000000, -0.0004912900000000, -0.0026625700000000 ] - [ 0.0002318800000000, 0.0004046200000000, -0.0001802700000000 ] - [ -0.0035175300000000, 0.0008867700000000, -0.0001437500000000 ] - [ 0.0012628400000000, 0.0003715800000000, -0.0005253300000000 ] - [ -0.0000791400000000, 0.0003936400000000, 0.0007859200000000 ] - [ -0.0007729100000000, -0.0008394300000000, 0.0001632100000000 ] - [ -0.0007640500000000, -0.0014659900000000, 0.0038162300000000 ] - [ 0.0183551800000000, 0.0160657700000000, -0.0366513900000000 ] - [ 0.0001672600000000, -0.0003818700000000, -0.0000682100000000 ] - [ -0.0001237100000000, -0.0003760700000000, 0.0007602800000000 ] - [ 0.0004051500000000, 0.0001266500000000, 0.0000796500000000 ] - [ 0.0042959500000000, -0.0001963700000000, 0.0105195400000000 ] - [ -0.0005298000000000, 0.0008750800000000, 0.0024345300000000 ] - [ 0.0009000200000000, -0.0004057900000000, -0.0000277400000000 ] - [ 0.0000964800000000, 0.0004795200000000, 0.0004043900000000 ] - [ 0.0002768900000000, -0.0001513900000000, 0.0009358000000000 ] - [ -0.0000429100000000, 0.0000245700000000, 0.0001641600000000 ] - [ -0.0049951600000000, 0.0023562000000000, -0.0009186700000000 ] - [ -0.0002045300000000, 0.0001010000000000, 0.0004591900000000 ] - [ -0.0004654300000000, 0.0001454700000000, -0.0003444900000000 ] - [ -0.0002184300000000, -0.0004311500000000, -0.0001731300000000 ] - [ -0.0001252400000000, -0.0001351000000000, -0.0000668800000000 ] - [ -0.0001389200000000, -0.0004078300000000, 0.0017613800000000 ] - [ 0.0011380800000000, -0.0005253800000000, -0.0003538300000000 ] - [ -0.0003654400000000, 0.0000318400000000, -0.0004708400000000 ] - [ 0.0005675400000000, -0.0004438800000000, -0.0001329400000000 ] - [ -0.0001386800000000, 0.0003405000000000, -0.0007056100000000 ] - [ 0.0002876500000000, 0.0000165500000000, 0.0001473000000000 ] - [ -0.0037503200000000, 0.0004818800000000, 0.0000971300000000 ] - [ 0.0000172300000000, 0.0000739300000000, -0.0004918300000000 ] - [ 0.0024021700000000, -0.0003010100000000, 0.0014039700000000 ] - [ 0.0003814000000000, -0.0006337200000000, 0.0004181100000000 ] - [ 0.0003802900000000, 0.0006434600000000, 0.0003975800000000 ] - [ 0.0000791400000000, 0.0000331200000000, -0.0002655500000000 ] - [ 0.0000150500000000, -0.0000834300000000, -0.0004731100000000 ] - [ 0.0002860300000000, -0.0001254200000000, 0.0001838400000000 ] - [ -0.0002935400000000, -0.0004788300000000, 0.0005468600000000 ] - [ -0.0019385100000000, 0.0017783600000000, 0.0017913100000000 ] - [ 0.0002340600000000, -0.0000210500000000, -0.0000221300000000 ] - [ -0.0004710600000000, -0.0001430000000000, -0.0003553900000000 ] - [ 0.0002499400000000, 0.0001663000000000, -0.0002889400000000 ] - [ -0.0002714800000000, -0.0000417200000000, -0.0002756500000000 ] - [ 0.0004026900000000, 0.0003485200000000, -0.0003503000000000 ] - [ 0.0001730500000000, 0.0001744100000000, -0.0002249400000000 ] - [ 0.0000803500000000, -0.0000536200000000, -0.0001790700000000 ] - [ 0.0002852400000000, -0.0000114100000000, 0.0001705400000000 ] - [ -0.0016809700000000, -0.0038546700000000, -0.0044574700000000 ] - [ 0.0004931700000000, -0.0001457500000000, -0.0001772500000000 ] - [ 0.0002362200000000, -0.0001254700000000, -0.0003593900000000 ] - [ -0.0007243800000000, -0.0000733400000000, 0.0000055100000000 ] - [ -0.0001931900000000, 0.0004192500000000, -0.0001839600000000 ] - [ 0.0002540400000000, 0.0000792800000000, -0.0002405600000000 ] - [ -0.0009221600000000, 0.0001858200000000, 0.0026617000000000 ] - [ -0.0000658400000000, -0.0004537300000000, 0.0001036200000000 ] - [ -0.0003636500000000, -0.0000366000000000, -0.0004608700000000 ] - [ 0.0002547000000000, -0.0000158500000000, -0.0002816000000000 ] - [ 0.0034353000000000, 0.0012283400000000, -0.0011323400000000 ] - [ 0.0057689500000000, -0.0007562400000000, -0.0048158800000000 ] - [ -0.0002298400000000, 0.0004346300000000, 0.0001413400000000 ] - [ 0.0002220000000000, 0.0000219400000000, -0.0000267600000000 ] - [ 0.0002534900000000, 0.0000196300000000, -0.0002713800000000 ] - [ 0.0001712300000000, -0.0003901100000000, -0.0001763100000000 ] - [ 0.0006247500000000, -0.0006784000000000, 0.0027388200000000 ] - [ -0.0001194100000000, 0.0001004600000000, 0.0000262800000000 ] - [ 0.0000329800000000, 0.0001564300000000, 0.0002587300000000 ] - [ -0.0002381000000000, 0.0000578300000000, -0.0002940300000000 ] - [ -0.0002753500000000, -0.0003067800000000, -0.0009386200000000 ]- atom: 18 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0018005100000000, 0.0000343000000000, 0.0002225900000000 ] - [ 0.0086019900000000, -0.0008114900000000, 0.0055117300000000 ] - [ 0.0003849500000000, -0.0001127800000000, -0.0005710000000000 ] - [ -0.0010486100000000, 0.0001970800000000, -0.0008831100000000 ] - [ 0.0010071600000000, 0.0001113000000000, -0.0002951600000000 ] - [ 0.0004180500000000, -0.0002058700000000, 0.0002766900000000 ] - [ 0.0008478600000000, -0.0000987400000000, -0.0002649500000000 ] - [ 0.0003977000000000, 0.0002040000000000, 0.0003070800000000 ] - [ 0.0032843400000000, 0.0003556300000000, -0.0009023900000000 ] - [ 0.0030239300000000, -0.0003954400000000, 0.0004108400000000 ] - [ -0.0154956300000000, -0.0034135500000000, 0.0199681600000000 ] - [ -0.0164281600000000, -0.0050334000000000, -0.0105651600000000 ] - [ 0.0032388300000000, 0.0005057700000000, 0.0002829000000000 ] - [ 0.0030509200000000, -0.0002526200000000, -0.0008441500000000 ] - [ 0.0030700900000000, 0.0000888000000000, 0.0001170100000000 ] - [ 0.0030983700000000, -0.0000914200000000, 0.0001228500000000 ] - [ -0.0037467800000000, 0.0007021600000000, 0.0034450100000000 ] - [ -0.3399318700000000, -0.0166461600000000, -0.0097613000000000 ] - [ -0.0096113600000000, -0.0005499100000000, 0.0019889300000000 ] - [ 0.0023095500000000, 0.0012154100000000, 0.0008867800000000 ] - [ 0.0027789900000000, 0.0000379600000000, 0.0033316800000000 ] - [ 0.0026419200000000, -0.0003021800000000, 0.0000010000000000 ] - [ 0.0032188200000000, 0.0005577600000000, 0.0002180100000000 ] - [ 0.0022645800000000, -0.0011922900000000, 0.0009144900000000 ] - [ 0.0034089800000000, -0.0004263100000000, -0.0061724100000000 ] - [ 0.0028782900000000, -0.0001460800000000, -0.0001809100000000 ] - [ 0.0026588300000000, 0.0002683900000000, -0.0005304300000000 ] - [ 0.0026077100000000, -0.0002739700000000, -0.0005662600000000 ] - [ 0.0021240400000000, -0.0004558800000000, 0.0002310100000000 ] - [ 0.0030257300000000, 0.0001558700000000, -0.0002893500000000 ] - [ 0.0115312900000000, -0.0007595600000000, -0.0132287000000000 ] - [ 0.0025431000000000, 0.0002043300000000, -0.0004330200000000 ] - [ 0.0022448400000000, 0.0000965800000000, 0.0001133300000000 ] - [ 0.0029067500000000, -0.0009986000000000, 0.0006985800000000 ] - [ 0.0028799300000000, 0.0009948500000000, 0.0007060300000000 ] - [ -0.0077507900000000, -0.0087513400000000, 0.0332291500000000 ] - [ 0.0041533100000000, 0.0004428000000000, -0.0004442500000000 ] - [ 0.0042046000000000, -0.0006707700000000, -0.0019636200000000 ] - [ 0.0031910100000000, 0.0006230900000000, 0.0007033400000000 ] - [ -0.0041533800000000, 0.0042530600000000, -0.0075165900000000 ] - [ 0.0043263900000000, -0.0004939700000000, -0.0002189000000000 ] - [ 0.0008747100000000, -0.0001288100000000, -0.0013426600000000 ] - [ 0.0082401900000000, -0.0021544200000000, -0.0152386300000000 ] - [ -0.0025075000000000, -0.0004155900000000, 0.0037331000000000 ] - [ 0.0021170000000000, -0.0005830400000000, 0.0000014500000000 ] - [ 0.0061685100000000, 0.0003854200000000, 0.0031084300000000 ] - [ 0.0023069000000000, -0.0001003900000000, 0.0001069700000000 ] - [ 0.0010424900000000, -0.0004726500000000, 0.0011958900000000 ] - [ -0.0038243500000000, 0.0020423400000000, 0.0013238400000000 ] - [ -0.0012998300000000, -0.0010201300000000, 0.0009414200000000 ] - [ -0.0007019000000000, -0.0001219000000000, -0.0001880600000000 ] - [ -0.0010220800000000, 0.0001865100000000, 0.0006263400000000 ] - [ -0.0013878400000000, 0.0010635800000000, 0.0006755500000000 ] - [ -0.0002844500000000, -0.0004835300000000, -0.0045929700000000 ] - [ -0.0015884100000000, 0.0006441100000000, 0.0004201900000000 ] - [ -0.0007818600000000, 0.0002933600000000, -0.0000395900000000 ] - [ 0.0037005900000000, 0.0004542200000000, -0.0045041800000000 ] - [ -0.0022353300000000, 0.0006289800000000, -0.0000913700000000 ] - [ 0.0036891100000000, 0.0024539300000000, 0.0012434100000000 ] - [ -0.0022563700000000, -0.0006410100000000, -0.0001048000000000 ] - [ 0.0769316700000000, 0.0807310900000000, 0.0418775700000000 ] - [ 0.0038509100000000, -0.0001966600000000, -0.0002814500000000 ] - [ -0.0005992700000000, 0.0000579700000000, 0.0001107400000000 ] - [ 0.1235966200000000, -0.0767958600000000, 0.0561394400000000 ] - [ -0.0010024200000000, -0.0007704600000000, -0.0001179100000000 ] - [ -0.0014482200000000, -0.0011024200000000, 0.0007261900000000 ] - [ -0.0007876200000000, 0.0006395800000000, 0.0001132800000000 ] - [ 0.0001148700000000, -0.0007809100000000, -0.0020139100000000 ] - [ -0.0001793900000000, 0.0001401900000000, -0.0011529000000000 ] - [ -0.0016777000000000, -0.0000993700000000, -0.0005709800000000 ] - [ -0.0015923800000000, 0.0006406400000000, 0.0009858000000000 ] - [ -0.0013688000000000, -0.0001631600000000, -0.0008545300000000 ] - [ -0.0007991600000000, 0.0005814900000000, 0.0001111300000000 ] - [ -0.0011058500000000, 0.0000105600000000, -0.0003022900000000 ] - [ 0.1092200800000000, 0.0214397400000000, -0.0917172000000000 ] - [ -0.0010173700000000, -0.0009625200000000, 0.0005031800000000 ] - [ -0.0011104600000000, 0.0003908300000000, -0.0004502200000000 ] - [ -0.0011877200000000, -0.0000758900000000, -0.0009589900000000 ] - [ -0.0015511200000000, -0.0006115700000000, 0.0004515600000000 ] - [ -0.0015326200000000, 0.0007958900000000, -0.0007771300000000 ] - [ -0.0009353600000000, -0.0003407700000000, -0.0002142800000000 ] - [ -0.0016521400000000, -0.0002848300000000, 0.0005392100000000 ] - [ -0.0011504500000000, -0.0006696400000000, 0.0002495000000000 ] - [ 0.0012283600000000, -0.0018198100000000, 0.0051169700000000 ] - [ 0.0008812400000000, -0.0001423400000000, -0.0010059200000000 ] - [ -0.0007766600000000, -0.0006343000000000, 0.0001057700000000 ] - [ -0.0016310400000000, 0.0002761600000000, 0.0005354500000000 ] - [ -0.0012828300000000, 0.0007664500000000, 0.0005760400000000 ] - [ 0.0023618000000000, -0.0003291200000000, 0.0013333800000000 ] - [ -0.0032704600000000, 0.0013522600000000, 0.0029971700000000 ] - [ -0.0014856300000000, 0.0001709400000000, -0.0007279900000000 ] - [ -0.0010311100000000, 0.0009639000000000, 0.0005137200000000 ] - [ -0.0012377600000000, 0.0001919000000000, 0.0001150400000000 ] - [ -0.0008285900000000, -0.0002939600000000, -0.0000296400000000 ] - [ -0.0017464300000000, -0.0000638700000000, -0.0014667400000000 ] - [ -0.0009982900000000, -0.0001712600000000, 0.0006377000000000 ] - [ -0.0014943100000000, -0.0000480300000000, -0.0003013600000000 ] - [ -0.0016638600000000, -0.0012248300000000, 0.0001061700000000 ] - [ -0.0008274600000000, -0.0001012800000000, 0.0001041200000000 ] - [ -0.0043120200000000, -0.0006271200000000, 0.0025508700000000 ] - [ 0.0007321700000000, -0.0006530800000000, 0.0016558300000000 ] - [ -0.0014361200000000, -0.0001051800000000, -0.0008446800000000 ] - [ -0.0025630200000000, 0.0023864700000000, 0.0031854100000000 ] - [ -0.0000774100000000, -0.0001790500000000, 0.0002967300000000 ] - [ -0.0006069100000000, 0.0002191600000000, 0.0003261300000000 ] - [ 0.0035735600000000, 0.0011517800000000, -0.0018338800000000 ] - [ -0.0011773000000000, -0.0002968700000000, -0.0005456800000000 ] - [ 0.0075885100000000, -0.0012166500000000, 0.0053534400000000 ] - [ -0.0005375000000000, -0.0008931700000000, 0.0003824700000000 ] - [ -0.0005370000000000, 0.0008998500000000, 0.0003702700000000 ] - [ -0.0006697800000000, 0.0000107300000000, -0.0001652800000000 ] - [ -0.0011895500000000, 0.0002987700000000, -0.0005312800000000 ] - [ -0.0013673100000000, -0.0006974000000000, 0.0003821300000000 ] - [ -0.0015906500000000, -0.0006486800000000, -0.0014594800000000 ] - [ 0.0091828300000000, -0.0059588900000000, -0.0049852700000000 ] - [ -0.0020453700000000, -0.0000404000000000, -0.0006540200000000 ] - [ -0.0014496900000000, 0.0000417200000000, -0.0003087500000000 ] - [ -0.0018543000000000, 0.0000323400000000, -0.0010059200000000 ] - [ -0.0017713300000000, 0.0005752000000000, -0.0001500500000000 ] - [ -0.0003160700000000, 0.0004259700000000, 0.0000417600000000 ] - [ -0.0004413500000000, 0.0006709500000000, -0.0004751400000000 ] - [ -0.0008800500000000, -0.0000387900000000, -0.0000147800000000 ] - [ -0.0006246500000000, -0.0002245800000000, 0.0003362500000000 ] - [ 0.0029402900000000, 0.0009761800000000, 0.0015883900000000 ] - [ -0.0014516700000000, 0.0005574600000000, -0.0000321400000000 ] - [ -0.0014135600000000, -0.0000728800000000, -0.0007751700000000 ] - [ 0.0004992600000000, 0.0010762000000000, -0.0022029000000000 ] - [ -0.0016813400000000, 0.0012244300000000, 0.0002034300000000 ] - [ -0.0005857800000000, -0.0001659200000000, -0.0005653600000000 ] - [ 0.0129602200000000, 0.0038591800000000, -0.0048327100000000 ] - [ -0.0015366400000000, -0.0010418300000000, 0.0009409800000000 ] - [ -0.0014501700000000, 0.0001125200000000, -0.0008678000000000 ] - [ -0.0008713300000000, -0.0004993300000000, -0.0000063800000000 ] - [ 0.0049920700000000, 0.0002277700000000, 0.0051149400000000 ] - [ 0.0067785800000000, -0.0041436000000000, 0.0009958900000000 ] - [ -0.0008478700000000, 0.0004790200000000, -0.0001539300000000 ] - [ -0.0020863000000000, 0.0000503300000000, -0.0007213200000000 ] - [ -0.0009120700000000, 0.0005080800000000, -0.0000068300000000 ] - [ -0.0023435800000000, 0.0007882200000000, -0.0016871700000000 ] - [ 0.0041374000000000, 0.0098455100000000, -0.0138694100000000 ] - [ -0.0010043200000000, 0.0001673900000000, -0.0002464100000000 ] - [ -0.0022113100000000, -0.0010059900000000, -0.0007136200000000 ] - [ -0.0018189100000000, -0.0006023300000000, -0.0000129700000000 ] - [ 0.0008578500000000, 0.0000620300000000, -0.0003921500000000 ]- atom: 18 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0018191700000000, 0.0002030900000000, -0.0008134500000000 ] - [ -0.0091657700000000, 0.0002839100000000, -0.0050914300000000 ] - [ -0.0004174800000000, -0.0001244000000000, -0.0000295800000000 ] - [ 0.0003544500000000, 0.0003206900000000, 0.0012073900000000 ] - [ -0.0010354200000000, 0.0001253200000000, -0.0003019000000000 ] - [ -0.0011022700000000, -0.0003127800000000, 0.0000563200000000 ] - [ -0.0008753600000000, -0.0001384300000000, -0.0003327100000000 ] - [ -0.0010816500000000, 0.0003140200000000, 0.0000253500000000 ] - [ -0.0030561900000000, -0.0000517100000000, 0.0001962400000000 ] - [ -0.0028017500000000, 0.0000917500000000, -0.0011056900000000 ] - [ 0.0152800700000000, 0.0039234600000000, -0.0198369000000000 ] - [ 0.0161954100000000, 0.0045423600000000, 0.0108048500000000 ] - [ -0.0030129400000000, -0.0002023600000000, -0.0009848900000000 ] - [ -0.0028243800000000, -0.0000517400000000, 0.0001463100000000 ] - [ -0.0032494500000000, 0.0004195700000000, 0.0000825900000000 ] - [ -0.0032778300000000, -0.0004173500000000, 0.0000765800000000 ] - [ 0.0036911000000000, -0.0008005200000000, -0.0035393000000000 ] - [ 0.3359443900000000, 0.0158074500000000, 0.0111729800000000 ] - [ 0.0108635100000000, 0.0021678000000000, -0.0011703700000000 ] - [ -0.0028753300000000, -0.0000642900000000, 0.0007790500000000 ] - [ -0.0019667700000000, -0.0000906400000000, -0.0036416300000000 ] - [ -0.0025283600000000, 0.0004700200000000, -0.0004655900000000 ] - [ -0.0028090200000000, -0.0007172900000000, -0.0004176800000000 ] - [ -0.0028308600000000, 0.0000412300000000, 0.0007512200000000 ] - [ -0.0025792600000000, 0.0004697600000000, 0.0057975200000000 ] - [ -0.0021792900000000, -0.0002918500000000, 0.0005586600000000 ] - [ -0.0025849300000000, 0.0004235100000000, 0.0004855600000000 ] - [ -0.0025342300000000, -0.0004178500000000, 0.0005212400000000 ] - [ -0.0017243100000000, 0.0006146700000000, -0.0004319600000000 ] - [ -0.0023250900000000, 0.0002819100000000, 0.0006662800000000 ] - [ -0.0116943900000000, 0.0008785200000000, 0.0130910500000000 ] - [ -0.0024297700000000, -0.0003728400000000, -0.0000358700000000 ] - [ -0.0022653000000000, -0.0001971200000000, -0.0002087800000000 ] - [ -0.0016428500000000, -0.0006179400000000, 0.0001298900000000 ] - [ -0.0016163100000000, 0.0006215300000000, 0.0001222300000000 ] - [ 0.0072696500000000, 0.0100759200000000, -0.0318032200000000 ] - [ -0.0033171500000000, -0.0004920800000000, 0.0001144600000000 ] - [ -0.0040965900000000, 0.0008400300000000, 0.0015047000000000 ] - [ -0.0027886500000000, -0.0007817200000000, -0.0009046900000000 ] - [ 0.0036044700000000, -0.0054078900000000, 0.0091773300000000 ] - [ -0.0034908000000000, 0.0005433100000000, -0.0001115200000000 ] - [ -0.0001684000000000, -0.0003093800000000, 0.0017230800000000 ] - [ -0.0082017000000000, 0.0028219100000000, 0.0152729300000000 ] - [ 0.0025963800000000, -0.0002695600000000, -0.0037926600000000 ] - [ -0.0017109100000000, 0.0007412900000000, -0.0002003900000000 ] - [ -0.0054826100000000, 0.0000475800000000, -0.0027544100000000 ] - [ -0.0023278300000000, 0.0002009400000000, -0.0002024000000000 ] - [ -0.0009237800000000, 0.0003062700000000, -0.0016674900000000 ] - [ 0.0027957200000000, -0.0017215100000000, -0.0019959700000000 ] - [ 0.0007320400000000, 0.0000844400000000, -0.0012575100000000 ] - [ 0.0003733400000000, -0.0001113500000000, 0.0001465300000000 ] - [ 0.0005458500000000, -0.0004586800000000, 0.0005203600000000 ] - [ 0.0016634700000000, -0.0006218800000000, -0.0002607500000000 ] - [ -0.0005375900000000, 0.0005485600000000, 0.0036067600000000 ] - [ 0.0015046400000000, -0.0010859300000000, -0.0005449500000000 ] - [ 0.0006504400000000, -0.0001709200000000, -0.0002750300000000 ] - [ -0.0032121700000000, -0.0004171600000000, 0.0048617300000000 ] - [ 0.0011741200000000, -0.0002536100000000, 0.0007948700000000 ] - [ -0.0037669800000000, -0.0023396300000000, -0.0022219600000000 ] - [ 0.0011947900000000, 0.0002658200000000, 0.0008083500000000 ] - [ -0.0758768100000000, -0.0799585200000000, -0.0399794800000000 ] - [ -0.0031802400000000, 0.0014975100000000, 0.0010923700000000 ] - [ 0.0006645800000000, 0.0000284200000000, -0.0005409800000000 ] - [ -0.1207793400000000, 0.0728437100000000, -0.0543633000000000 ] - [ 0.0013336800000000, 0.0004100000000000, 0.0001272800000000 ] - [ 0.0017235600000000, 0.0006605400000000, -0.0003111000000000 ] - [ 0.0010463800000000, 0.0001636100000000, -0.0002260700000000 ] - [ 0.0001190200000000, 0.0007043500000000, 0.0018690600000000 ] - [ -0.0008515800000000, -0.0004151000000000, 0.0004609000000000 ] - [ 0.0019533400000000, 0.0003838700000000, -0.0001346200000000 ] - [ 0.0009157200000000, -0.0006709400000000, -0.0015274700000000 ] - [ 0.0016979800000000, 0.0008257200000000, 0.0002605100000000 ] - [ 0.0011322600000000, -0.0002226500000000, -0.0000989700000000 ] - [ 0.0011668900000000, -0.0000958100000000, -0.0001331300000000 ] - [ -0.1064582900000000, -0.0206760700000000, 0.0877634700000000 ] - [ 0.0010800200000000, -0.0000546200000000, 0.0002198900000000 ] - [ 0.0017318800000000, -0.0005684900000000, 0.0000166000000000 ] - [ 0.0014674700000000, -0.0002099700000000, 0.0002513800000000 ] - [ 0.0014677100000000, 0.0010532300000000, -0.0005763600000000 ] - [ 0.0009683200000000, 0.0001358500000000, 0.0004474300000000 ] - [ 0.0015576000000000, 0.0005185800000000, -0.0002168000000000 ] - [ 0.0012817500000000, 0.0009814300000000, 0.0009865400000000 ] - [ 0.0007531500000000, -0.0002475900000000, 0.0000264600000000 ] - [ -0.0020426500000000, 0.0017577100000000, -0.0060786000000000 ] - [ -0.0004813200000000, 0.0000640600000000, 0.0004800300000000 ] - [ 0.0010355900000000, -0.0001688400000000, -0.0002185300000000 ] - [ 0.0012607900000000, -0.0009731500000000, 0.0009899900000000 ] - [ 0.0008835000000000, 0.0001519900000000, -0.0002972400000000 ] - [ -0.0021159200000000, 0.0003763600000000, -0.0014467400000000 ] - [ 0.0036616900000000, -0.0013188100000000, -0.0034978800000000 ] - [ 0.0018133400000000, -0.0008337200000000, 0.0001352500000000 ] - [ 0.0010936600000000, 0.0000534000000000, 0.0002089700000000 ] - [ 0.0009019700000000, 0.0000433000000000, -0.0001550200000000 ] - [ 0.0006967500000000, 0.0001715500000000, -0.0002848900000000 ] - [ 0.0010734700000000, 0.0001014200000000, 0.0009057800000000 ] - [ 0.0005222500000000, 0.0004434100000000, 0.0005090500000000 ] - [ 0.0004492800000000, 0.0003185400000000, -0.0003915000000000 ] - [ 0.0010921000000000, 0.0002862100000000, -0.0004272400000000 ] - [ 0.0004963800000000, -0.0001322700000000, -0.0001456400000000 ] - [ 0.0038275100000000, 0.0003909200000000, -0.0014165100000000 ] - [ -0.0004660900000000, 0.0011009300000000, -0.0012447100000000 ] - [ 0.0005918100000000, 0.0001597500000000, -0.0001312700000000 ] - [ 0.0024759000000000, -0.0028266400000000, -0.0033187300000000 ] - [ -0.0000565300000000, 0.0003033100000000, -0.0006125700000000 ] - [ 0.0010834800000000, -0.0001707300000000, 0.0000139900000000 ] - [ -0.0046493900000000, -0.0007764000000000, 0.0025338700000000 ] - [ 0.0010808700000000, 0.0004120700000000, -0.0004283600000000 ] - [ -0.0086696900000000, 0.0007957100000000, -0.0046207600000000 ] - [ 0.0012005200000000, -0.0004121400000000, 0.0004279400000000 ] - [ 0.0012002000000000, 0.0004054800000000, 0.0004398800000000 ] - [ 0.0007333300000000, 0.0000755000000000, -0.0002671900000000 ] - [ 0.0010933700000000, -0.0004141100000000, -0.0004426200000000 ] - [ 0.0017016700000000, 0.0003376300000000, -0.0003732000000000 ] - [ 0.0018570700000000, 0.0001930900000000, 0.0018811600000000 ] - [ -0.0089308400000000, 0.0067285200000000, 0.0048650600000000 ] - [ 0.0022533800000000, -0.0000076500000000, 0.0005296800000000 ] - [ 0.0004044600000000, -0.0003122200000000, -0.0003846500000000 ] - [ 0.0021319400000000, 0.0002535400000000, 0.0002987100000000 ] - [ 0.0010920900000000, -0.0006046000000000, -0.0003990800000000 ] - [ 0.0006397000000000, 0.0002347300000000, -0.0006384600000000 ] - [ 0.0007719700000000, -0.0003110100000000, 0.0004877200000000 ] - [ 0.0009441300000000, -0.0000471300000000, -0.0004177200000000 ] - [ 0.0011014100000000, 0.0001763200000000, 0.0000039500000000 ] - [ -0.0028834400000000, -0.0019879200000000, -0.0008373500000000 ] - [ 0.0020740400000000, -0.0007353100000000, -0.0004010800000000 ] - [ 0.0016893500000000, -0.0002129500000000, 0.0000672900000000 ] - [ -0.0005897300000000, -0.0006434400000000, 0.0020901400000000 ] - [ 0.0011096600000000, -0.0002859100000000, -0.0005248600000000 ] - [ 0.0012061900000000, 0.0003428400000000, 0.0001341500000000 ] - [ -0.0133733900000000, -0.0032537800000000, 0.0062767400000000 ] - [ 0.0011391600000000, 0.0001249300000000, -0.0006651700000000 ] - [ 0.0006057700000000, -0.0001668900000000, -0.0001079900000000 ] - [ 0.0012558300000000, 0.0004119900000000, -0.0005172900000000 ] - [ -0.0047691900000000, -0.0010055100000000, -0.0051973400000000 ] - [ -0.0071552300000000, 0.0034541700000000, 0.0005439600000000 ] - [ 0.0004481200000000, 0.0004397800000000, 0.0004331300000000 ] - [ 0.0022950200000000, -0.0000017800000000, 0.0005965900000000 ] - [ 0.0012965700000000, -0.0004208600000000, -0.0005172500000000 ] - [ 0.0026733600000000, -0.0014522500000000, 0.0010972000000000 ] - [ -0.0043543100000000, -0.0086813400000000, 0.0146251100000000 ] - [ 0.0006731300000000, 0.0000664100000000, 0.0002058300000000 ] - [ 0.0020877100000000, 0.0008883700000000, 0.0004058700000000 ] - [ 0.0011398200000000, 0.0006317700000000, -0.0005367100000000 ] - [ -0.0013395800000000, 0.0002083700000000, 0.0015417500000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003128600000000, 0.0001510500000000, -0.0005193400000000 ] - [ -0.0020178600000000, -0.0044164700000000, -0.0002486500000000 ] - [ -0.0001478800000000, -0.0001424000000000, -0.0002572000000000 ] - [ -0.0001100000000000, 0.0002697400000000, 0.0001446500000000 ] - [ -0.0000820100000000, 0.0001219200000000, -0.0002895900000000 ] - [ -0.0004053200000000, -0.0002639000000000, 0.0001565100000000 ] - [ -0.0001073300000000, -0.0001175300000000, -0.0003085500000000 ] - [ -0.0004107000000000, 0.0002640400000000, 0.0001534800000000 ] - [ -0.0003105900000000, 0.0001524700000000, -0.0002035400000000 ] - [ -0.0000490700000000, -0.0001316200000000, -0.0005528700000000 ] - [ 0.0028572000000000, 0.0364621000000000, -0.0022685300000000 ] - [ -0.0011446700000000, -0.0039180100000000, 0.0010436400000000 ] - [ -0.0002451700000000, 0.0001131800000000, -0.0003380100000000 ] - [ -0.0000891200000000, -0.0001182300000000, -0.0004157700000000 ] - [ -0.0003658200000000, 0.0002687200000000, 0.0000957700000000 ] - [ -0.0003747800000000, -0.0002694400000000, 0.0001012100000000 ] - [ 0.0007749900000000, -0.0011206200000000, -0.0012756200000000 ] - [ -0.0200358600000000, -0.3597496200000000, 0.0121179600000000 ] - [ 0.0020221800000000, 0.0012216800000000, 0.0003185200000000 ] - [ -0.0005183900000000, 0.0005166000000000, 0.0008296600000000 ] - [ -0.0000721100000000, 0.0002129900000000, -0.0008396400000000 ] - [ -0.0001478500000000, 0.0001147000000000, -0.0003344300000000 ] - [ -0.0002113600000000, -0.0001366700000000, -0.0002248300000000 ] - [ -0.0004985500000000, -0.0005251400000000, 0.0008246800000000 ] - [ 0.0008305400000000, -0.0000594300000000, 0.0009418700000000 ] - [ 0.0001605000000000, -0.0002215100000000, 0.0002374600000000 ] - [ -0.0001954000000000, 0.0003520700000000, 0.0000090000000000 ] - [ -0.0001905800000000, -0.0003542100000000, 0.0000403500000000 ] - [ 0.0001426300000000, -0.0000555100000000, 0.0001027500000000 ] - [ 0.0000825500000000, 0.0002260900000000, 0.0002261500000000 ] - [ 0.0004662000000000, 0.0187738800000000, 0.0036297400000000 ] - [ -0.0002054000000000, -0.0001118600000000, -0.0001508300000000 ] - [ -0.0002103000000000, -0.0000625400000000, -0.0000666400000000 ] - [ 0.0004309300000000, -0.0007920900000000, 0.0003877600000000 ] - [ 0.0004343100000000, 0.0007916100000000, 0.0003894500000000 ] - [ 0.0108100100000000, 0.0325324100000000, -0.0205324400000000 ] - [ 0.0000929600000000, -0.0000689200000000, -0.0001710100000000 ] - [ 0.0003431700000000, -0.0005961300000000, -0.0000350500000000 ] - [ 0.0000357800000000, -0.0000575900000000, 0.0000357300000000 ] - [ 0.0004605900000000, -0.0054597500000000, 0.0000133100000000 ] - [ 0.0000682900000000, 0.0000686700000000, -0.0001338400000000 ] - [ 0.0000861900000000, 0.0000261700000000, -0.0001283500000000 ] - [ 0.0015678900000000, 0.0118553300000000, 0.0098911800000000 ] - [ 0.0002647700000000, -0.0005170000000000, 0.0000593500000000 ] - [ -0.0000459800000000, 0.0001513600000000, -0.0002799200000000 ] - [ -0.0013233500000000, -0.0011734800000000, 0.0006575800000000 ] - [ -0.0002112300000000, 0.0000642600000000, -0.0000578800000000 ] - [ -0.0004250200000000, -0.0001334900000000, -0.0003434700000000 ] - [ -0.0001421600000000, -0.0020364300000000, -0.0031930300000000 ] - [ -0.0002068200000000, -0.0003694600000000, -0.0003414800000000 ] - [ -0.0001160900000000, -0.0000833200000000, -0.0000340700000000 ] - [ -0.0001659900000000, -0.0001685400000000, 0.0005750900000000 ] - [ 0.0002570800000000, 0.0001537900000000, 0.0001717100000000 ] - [ -0.0000412000000000, 0.0003847700000000, 0.0031099400000000 ] - [ 0.0000923900000000, -0.0002968300000000, -0.0000978300000000 ] - [ -0.0000053800000000, 0.0000462400000000, -0.0001838800000000 ] - [ -0.0003042900000000, 0.0000844900000000, 0.0012275400000000 ] - [ -0.0003799100000000, 0.0001508700000000, 0.0003883700000000 ] - [ -0.0006424600000000, 0.0002476300000000, -0.0002366200000000 ] - [ -0.0003771500000000, -0.0001471300000000, 0.0003947400000000 ] - [ 0.0895679600000000, 0.1780210700000000, 0.0783346000000000 ] - [ -0.0004166600000000, 0.0006780800000000, 0.0008275900000000 ] - [ 0.0001459500000000, 0.0000340900000000, -0.0003653600000000 ] - [ -0.0807507800000000, 0.0912814900000000, -0.0538107100000000 ] - [ 0.0002978800000000, -0.0000890300000000, 0.0000689800000000 ] - [ 0.0002879100000000, -0.0001376100000000, 0.0001568900000000 ] - [ 0.0002125900000000, 0.0003796500000000, -0.0000721000000000 ] - [ -0.0011934300000000, -0.0020715000000000, -0.0003672700000000 ] - [ -0.0000832200000000, -0.0005340300000000, 0.0003571000000000 ] - [ 0.0003778200000000, 0.0002188700000000, -0.0003193700000000 ] - [ -0.0001786400000000, -0.0001376200000000, -0.0004716600000000 ] - [ 0.0002437000000000, 0.0003701100000000, -0.0002475700000000 ] - [ 0.0002299900000000, 0.0001865900000000, -0.0000690300000000 ] - [ 0.0001578400000000, -0.0000675500000000, -0.0000825300000000 ] - [ 0.0156240600000000, 0.0321079200000000, -0.0229117600000000 ] - [ 0.0001225300000000, -0.0004684400000000, 0.0003478300000000 ] - [ 0.0004290500000000, -0.0001217700000000, -0.0001452400000000 ] - [ -0.0002321300000000, -0.0002807100000000, -0.0004778500000000 ] - [ 0.0000972300000000, 0.0002983100000000, -0.0001156600000000 ] - [ -0.0003089500000000, 0.0008527300000000, 0.0000820100000000 ] - [ 0.0004486900000000, 0.0001357300000000, -0.0002437600000000 ] - [ -0.0000532200000000, 0.0004057000000000, 0.0007804200000000 ] - [ -0.0001568600000000, -0.0004726000000000, 0.0001639300000000 ] - [ -0.0013051500000000, 0.0018670900000000, 0.0005473500000000 ] - [ 0.0004984500000000, 0.0005591500000000, -0.0003168600000000 ] - [ 0.0002076500000000, -0.0003811800000000, -0.0000686600000000 ] - [ -0.0000598800000000, -0.0004028300000000, 0.0007815300000000 ] - [ -0.0000681600000000, 0.0004095500000000, 0.0000665500000000 ] - [ -0.0006540800000000, 0.0000035000000000, -0.0000933300000000 ] - [ 0.0023367800000000, -0.0020734800000000, -0.0004313400000000 ] - [ 0.0003434700000000, -0.0003765100000000, -0.0002633700000000 ] - [ 0.0001263300000000, 0.0004684700000000, 0.0003485900000000 ] - [ 0.0000332900000000, 0.0000852400000000, -0.0000366000000000 ] - [ 0.0000060100000000, -0.0000383500000000, -0.0001571300000000 ] - [ -0.0004553600000000, -0.0007178200000000, 0.0000940300000000 ] - [ -0.0001740800000000, 0.0001586300000000, 0.0005609400000000 ] - [ -0.0004412900000000, 0.0001498900000000, -0.0003543300000000 ] - [ -0.0001521100000000, -0.0003958900000000, -0.0001941800000000 ] - [ -0.0000969600000000, -0.0001083200000000, 0.0000261100000000 ] - [ -0.0004262200000000, -0.0022136100000000, -0.0010214400000000 ] - [ 0.0004811500000000, -0.0000405100000000, 0.0000877300000000 ] - [ -0.0003349000000000, 0.0000395300000000, -0.0004522600000000 ] - [ -0.0016238100000000, -0.0004226500000000, 0.0002712200000000 ] - [ 0.0000377300000000, -0.0000297800000000, -0.0001019500000000 ] - [ 0.0003123100000000, 0.0000076300000000, 0.0001557500000000 ] - [ -0.0018050700000000, 0.0001019900000000, -0.0000658800000000 ] - [ 0.0000512200000000, 0.0000893200000000, -0.0004813300000000 ] - [ -0.0089459800000000, -0.0070966100000000, -0.0005636000000000 ] - [ 0.0004078300000000, -0.0006308100000000, 0.0004088200000000 ] - [ 0.0004085400000000, 0.0006305100000000, 0.0004086000000000 ] - [ 0.0001046100000000, 0.0000504800000000, -0.0001914800000000 ] - [ 0.0000516700000000, -0.0000898100000000, -0.0004817100000000 ] - [ 0.0001081600000000, -0.0000719300000000, -0.0001477400000000 ] - [ 0.0010141600000000, -0.0002997500000000, 0.0013446600000000 ] - [ -0.0008481700000000, -0.0025690300000000, 0.0022195600000000 ] - [ 0.0002876900000000, -0.0000206500000000, -0.0000059300000000 ] - [ -0.0004377600000000, -0.0001506400000000, -0.0003475600000000 ] - [ 0.0002905900000000, 0.0001266200000000, -0.0003424100000000 ] - [ -0.0001962800000000, -0.0000761000000000, -0.0002997100000000 ] - [ 0.0003978200000000, 0.0003950500000000, -0.0001606700000000 ] - [ 0.0003182700000000, 0.0001032900000000, 0.0001076500000000 ] - [ 0.0000955200000000, -0.0000404100000000, -0.0002647800000000 ] - [ 0.0003144300000000, -0.0000073300000000, 0.0001533600000000 ] - [ 0.0005187000000000, -0.0003710400000000, -0.0014766200000000 ] - [ 0.0003052400000000, -0.0000636300000000, -0.0002463800000000 ] - [ 0.0003118200000000, -0.0001595900000000, -0.0002767600000000 ] - [ 0.0003913700000000, 0.0002533300000000, 0.0000235000000000 ] - [ -0.0001763000000000, 0.0004067600000000, -0.0001819600000000 ] - [ 0.0005028000000000, 0.0001560300000000, -0.0001929600000000 ] - [ -0.0132196900000000, -0.0118866500000000, -0.0072341400000000 ] - [ -0.0002495000000000, -0.0003639800000000, 0.0001847300000000 ] - [ -0.0003305700000000, -0.0000371500000000, -0.0004577800000000 ] - [ 0.0002859800000000, -0.0000061000000000, -0.0002802300000000 ] - [ 0.0031636600000000, 0.0040723700000000, -0.0032815200000000 ] - [ -0.0012060200000000, 0.0005310500000000, 0.0011390900000000 ] - [ -0.0000521100000000, 0.0004283400000000, 0.0000871700000000 ] - [ 0.0003032300000000, 0.0000213400000000, -0.0000052400000000 ] - [ 0.0002880400000000, 0.0000019400000000, -0.0002885400000000 ] - [ 0.0004780000000000, -0.0003044200000000, -0.0003564600000000 ] - [ 0.0041259800000000, -0.0024203200000000, 0.0076225400000000 ] - [ -0.0001041200000000, 0.0001288000000000, -0.0000680300000000 ] - [ 0.0005460500000000, -0.0003020100000000, -0.0008824100000000 ] - [ -0.0002255200000000, 0.0000614400000000, -0.0002811200000000 ] - [ -0.0001698800000000, 0.0001681300000000, 0.0000831600000000 ]- atom: 18 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002744800000000, 0.0000855100000000, -0.0000779600000000 ] - [ 0.0013206800000000, 0.0038853700000000, 0.0005724300000000 ] - [ 0.0001142000000000, -0.0000949200000000, -0.0003406800000000 ] - [ -0.0005705900000000, 0.0002470600000000, 0.0001894300000000 ] - [ 0.0000448100000000, 0.0001150000000000, -0.0003075200000000 ] - [ -0.0002858900000000, -0.0002550200000000, 0.0001749800000000 ] - [ 0.0000717900000000, -0.0001199400000000, -0.0002893000000000 ] - [ -0.0002803500000000, 0.0002542900000000, 0.0001776900000000 ] - [ 0.0005130700000000, 0.0001493500000000, -0.0004954300000000 ] - [ 0.0002447100000000, -0.0001702000000000, -0.0001490300000000 ] - [ -0.0027811900000000, -0.0358770800000000, 0.0025309900000000 ] - [ 0.0011140700000000, 0.0035279800000000, -0.0007525500000000 ] - [ 0.0004430900000000, 0.0001873800000000, -0.0003675000000000 ] - [ 0.0002887900000000, -0.0001848800000000, -0.0002793400000000 ] - [ 0.0001567800000000, 0.0002415400000000, 0.0001050300000000 ] - [ 0.0001653900000000, -0.0002412200000000, 0.0000994000000000 ] - [ -0.0007745100000000, 0.0010169700000000, 0.0011619500000000 ] - [ 0.0124783400000000, 0.3525178400000000, -0.0201950400000000 ] - [ -0.0006947500000000, 0.0004023500000000, 0.0004737800000000 ] - [ -0.0000692100000000, 0.0006281500000000, 0.0008361900000000 ] - [ 0.0008855700000000, -0.0002625700000000, 0.0005070900000000 ] - [ 0.0002374200000000, 0.0000558400000000, -0.0001327900000000 ] - [ 0.0005947700000000, -0.0000275500000000, 0.0000229600000000 ] - [ -0.0000892700000000, -0.0006196200000000, 0.0008406800000000 ] - [ -0.0000364900000000, 0.0001200500000000, -0.0012505200000000 ] - [ 0.0005166300000000, -0.0002187600000000, 0.0001430700000000 ] - [ 0.0002458000000000, 0.0003413900000000, -0.0000497800000000 ] - [ 0.0002410300000000, -0.0003389300000000, -0.0000812000000000 ] - [ 0.0002409600000000, 0.0002225900000000, -0.0003110400000000 ] - [ 0.0005952500000000, 0.0002142600000000, 0.0001553900000000 ] - [ -0.0004230500000000, -0.0186437300000000, -0.0036796300000000 ] - [ 0.0002973300000000, -0.0000579000000000, -0.0003170000000000 ] - [ 0.0001704900000000, -0.0000394300000000, -0.0000318200000000 ] - [ 0.0008123400000000, -0.0008225800000000, 0.0004377300000000 ] - [ 0.0008088600000000, 0.0008229100000000, 0.0004357700000000 ] - [ -0.0116748900000000, -0.0313609800000000, 0.0217944400000000 ] - [ 0.0007083300000000, 0.0000158700000000, -0.0001567400000000 ] - [ -0.0002658300000000, 0.0007742700000000, -0.0004184900000000 ] - [ 0.0003428100000000, -0.0001082000000000, -0.0002441100000000 ] - [ -0.0009471400000000, 0.0043415500000000, 0.0016605300000000 ] - [ 0.0007313300000000, -0.0000151500000000, -0.0001957900000000 ] - [ 0.0006124700000000, -0.0004696700000000, 0.0005161000000000 ] - [ -0.0016928700000000, -0.0111745100000000, -0.0098781000000000 ] - [ -0.0001773100000000, -0.0001714700000000, -0.0001420900000000 ] - [ 0.0004339700000000, 0.0000139500000000, 0.0000781300000000 ] - [ 0.0019783700000000, 0.0016050400000000, -0.0002872000000000 ] - [ 0.0001710000000000, 0.0000377000000000, -0.0000405800000000 ] - [ 0.0005293100000000, -0.0000295700000000, -0.0001378300000000 ] - [ -0.0008709700000000, 0.0022952300000000, 0.0024965700000000 ] - [ -0.0003556300000000, -0.0005637900000000, 0.0000167700000000 ] - [ -0.0002090600000000, -0.0001518300000000, -0.0000086700000000 ] - [ -0.0003031000000000, -0.0001075100000000, 0.0005729200000000 ] - [ 0.0000306900000000, 0.0002814600000000, 0.0002399600000000 ] - [ -0.0008078800000000, -0.0003212300000000, -0.0040671200000000 ] - [ -0.0001613200000000, -0.0001539400000000, -0.0000322200000000 ] - [ -0.0001199900000000, 0.0000750400000000, -0.0001336300000000 ] - [ 0.0007610400000000, -0.0000374500000000, -0.0008486100000000 ] - [ -0.0006644900000000, 0.0002231400000000, 0.0003193400000000 ] - [ 0.0005226400000000, -0.0001452700000000, -0.0007367700000000 ] - [ -0.0006674800000000, -0.0002265500000000, 0.0003130400000000 ] - [ -0.0837609800000000, -0.1709463600000000, -0.0721347000000000 ] - [ 0.0010562900000000, 0.0006259400000000, 0.0000026000000000 ] - [ -0.0000756000000000, 0.0000529300000000, -0.0000629200000000 ] - [ 0.0845692500000000, -0.0944739100000000, 0.0559153800000000 ] - [ 0.0000437200000000, -0.0002659600000000, -0.0000586500000000 ] - [ -0.0000001600000000, -0.0002975800000000, 0.0002546300000000 ] - [ 0.0000559800000000, 0.0004205500000000, -0.0000404600000000 ] - [ 0.0013943600000000, 0.0019976000000000, 0.0002477000000000 ] - [ -0.0009571500000000, 0.0002587500000000, -0.0010415400000000 ] - [ -0.0000862400000000, 0.0000666900000000, -0.0003869700000000 ] - [ -0.0004885600000000, 0.0001016500000000, -0.0000808400000000 ] - [ 0.0000981500000000, 0.0002990400000000, -0.0003415600000000 ] - [ 0.0001115200000000, 0.0001680200000000, 0.0000808300000000 ] - [ -0.0000844900000000, -0.0000194600000000, -0.0003493600000000 ] - [ -0.0154811100000000, -0.0323808300000000, 0.0237623200000000 ] - [ -0.0000502500000000, -0.0005447500000000, 0.0003735600000000 ] - [ 0.0002035700000000, -0.0000594800000000, -0.0002829900000000 ] - [ 0.0005294300000000, -0.0000038800000000, -0.0002227300000000 ] - [ -0.0001666800000000, 0.0001517300000000, -0.0000143300000000 ] - [ -0.0002455300000000, 0.0000754300000000, -0.0004059800000000 ] - [ 0.0001817900000000, 0.0000448700000000, -0.0001840300000000 ] - [ -0.0003032500000000, 0.0002973500000000, 0.0007430900000000 ] - [ -0.0002339000000000, -0.0004437400000000, 0.0001093900000000 ] - [ 0.0004306600000000, -0.0019170300000000, -0.0015657900000000 ] - [ -0.0001139200000000, -0.0006427400000000, -0.0002009200000000 ] - [ 0.0000610400000000, -0.0004190000000000, -0.0000438700000000 ] - [ -0.0002965100000000, -0.0003004900000000, 0.0007418300000000 ] - [ -0.0003238700000000, 0.0005073500000000, 0.0002061700000000 ] - [ 0.0008675900000000, 0.0000376700000000, -0.0000477000000000 ] - [ -0.0019095100000000, 0.0021588200000000, -0.0000895400000000 ] - [ -0.0000027300000000, -0.0002928400000000, -0.0003260400000000 ] - [ -0.0000540200000000, 0.0005449300000000, 0.0003722100000000 ] - [ -0.0003583200000000, 0.0001503400000000, -0.0000089200000000 ] - [ -0.0001312700000000, -0.0000830100000000, -0.0001608000000000 ] - [ -0.0002027000000000, 0.0007554900000000, -0.0006422900000000 ] - [ -0.0002950600000000, 0.0001172500000000, 0.0005870400000000 ] - [ -0.0005952500000000, 0.0001207800000000, -0.0003397200000000 ] - [ -0.0004064500000000, -0.0005350700000000, -0.0001294200000000 ] - [ -0.0002284100000000, -0.0001270400000000, -0.0000715200000000 ] - [ -0.0000349200000000, 0.0019465100000000, 0.0021681200000000 ] - [ -0.0002172600000000, 0.0004931700000000, 0.0003187800000000 ] - [ -0.0005017200000000, 0.0000146000000000, -0.0005194800000000 ] - [ 0.0015765600000000, -0.0000449700000000, -0.0004214900000000 ] - [ -0.0001696600000000, 0.0001544000000000, -0.0002161000000000 ] - [ 0.0001710100000000, 0.0000407400000000, 0.0001799600000000 ] - [ 0.0007382800000000, 0.0002769700000000, 0.0007920900000000 ] - [ -0.0001386100000000, 0.0000302700000000, -0.0004896600000000 ] - [ 0.0079817900000000, 0.0067073700000000, 0.0012364000000000 ] - [ 0.0002628900000000, -0.0006714700000000, 0.0004041600000000 ] - [ 0.0002623600000000, 0.0006717200000000, 0.0004043200000000 ] - [ -0.0000334100000000, 0.0000368000000000, -0.0002382100000000 ] - [ -0.0001387400000000, -0.0000298700000000, -0.0004893400000000 ] - [ 0.0002376000000000, -0.0002826000000000, 0.0001542300000000 ] - [ -0.0007041700000000, -0.0001206200000000, -0.0009207100000000 ] - [ 0.0010671800000000, 0.0034051600000000, -0.0022785800000000 ] - [ -0.0000614700000000, -0.0000250500000000, -0.0001112700000000 ] - [ -0.0005991600000000, -0.0001199200000000, -0.0003469100000000 ] - [ 0.0000057300000000, 0.0001590100000000, -0.0003603500000000 ] - [ -0.0004677900000000, 0.0000406600000000, -0.0002505100000000 ] - [ -0.0000682500000000, 0.0002688100000000, -0.0004364900000000 ] - [ 0.0000190500000000, 0.0002517200000000, -0.0000918600000000 ] - [ -0.0000226300000000, -0.0000463000000000, -0.0001658800000000 ] - [ 0.0001691500000000, -0.0000408300000000, 0.0001823100000000 ] - [ -0.0004839000000000, -0.0006573700000000, 0.0022177500000000 ] - [ 0.0003300300000000, -0.0001190500000000, -0.0001839800000000 ] - [ -0.0000199800000000, -0.0001259000000000, -0.0004279600000000 ] - [ -0.0004815100000000, 0.0001838400000000, -0.0001328600000000 ] - [ -0.0003820900000000, 0.0005240900000000, -0.0001424200000000 ] - [ 0.0001249500000000, 0.0000229300000000, -0.0002327200000000 ] - [ 0.0129642000000000, 0.0125176200000000, 0.0088827900000000 ] - [ -0.0001382500000000, -0.0005505200000000, 0.0000832200000000 ] - [ -0.0005060400000000, -0.0000168100000000, -0.0005137200000000 ] - [ 0.0001075600000000, -0.0000784800000000, -0.0002450600000000 ] - [ -0.0028977300000000, -0.0048316400000000, 0.0031582600000000 ] - [ 0.0007804100000000, -0.0012057700000000, 0.0003856700000000 ] - [ -0.0003427600000000, 0.0004904800000000, 0.0001909000000000 ] - [ -0.0000759900000000, 0.0000248400000000, -0.0001118800000000 ] - [ 0.0001057100000000, 0.0000824100000000, -0.0002371900000000 ] - [ -0.0001274600000000, -0.0003701300000000, -0.0002246600000000 ] - [ -0.0041837900000000, 0.0037300100000000, -0.0069705200000000 ] - [ -0.0002203900000000, 0.0001066100000000, 0.0000254700000000 ] - [ -0.0006617700000000, 0.0001878800000000, 0.0005685400000000 ] - [ -0.0004382400000000, -0.0000258300000000, -0.0002702900000000 ] - [ -0.0003135200000000, 0.0001068800000000, 0.0010776500000000 ]- atom: 18 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0002147000000000, 0.0001822700000000, -0.0013617600000000 ] - [ 0.0056990300000000, -0.0002978200000000, -0.0015709300000000 ] - [ 0.0002192300000000, -0.0000787200000000, 0.0005794000000000 ] - [ -0.0008445600000000, 0.0000209000000000, 0.0018783200000000 ] - [ 0.0000870300000000, 0.0001061100000000, -0.0003659200000000 ] - [ -0.0002669200000000, -0.0002555600000000, 0.0001541900000000 ] - [ 0.0000857500000000, -0.0001262500000000, -0.0002317300000000 ] - [ -0.0002533300000000, 0.0002510400000000, 0.0002056100000000 ] - [ -0.0013939100000000, 0.0001580600000000, 0.0001526800000000 ] - [ 0.0023764100000000, -0.0001784700000000, -0.0007795700000000 ] - [ 0.0049532200000000, -0.0012510000000000, 0.0253575700000000 ] - [ -0.0085384100000000, 0.0077182200000000, 0.0385820100000000 ] - [ 0.0009884900000000, 0.0003738300000000, 0.0000197400000000 ] - [ -0.0000818200000000, -0.0000050000000000, -0.0006521400000000 ] - [ 0.0002309200000000, 0.0002398800000000, 0.0000834900000000 ] - [ 0.0002840500000000, -0.0002329200000000, 0.0001199600000000 ] - [ 0.0006885400000000, 0.0008655500000000, 0.0074350700000000 ] - [ -0.0097267500000000, 0.0145387900000000, -0.3428757600000000 ] - [ 0.0023836200000000, 0.0009141700000000, 0.0147166000000000 ] - [ -0.0000492300000000, 0.0006235000000000, 0.0008269500000000 ] - [ 0.0061777500000000, 0.0005634700000000, 0.0015307700000000 ] - [ 0.0007059000000000, -0.0000384600000000, -0.0007452900000000 ] - [ -0.0004740400000000, -0.0005376600000000, -0.0014544100000000 ] - [ 0.0000478600000000, -0.0006667600000000, 0.0008530000000000 ] - [ -0.0064598400000000, 0.0008263100000000, 0.0005402900000000 ] - [ 0.0008806100000000, -0.0001708200000000, 0.0003029700000000 ] - [ 0.0003417800000000, 0.0003187300000000, -0.0001997200000000 ] - [ 0.0003002500000000, -0.0003547800000000, 0.0000399300000000 ] - [ 0.0013391700000000, -0.0005727900000000, 0.0013651300000000 ] - [ 0.0003859400000000, 0.0002471900000000, -0.0000133600000000 ] - [ -0.0041758000000000, -0.0063771900000000, -0.0214514000000000 ] - [ -0.0000437100000000, -0.0001273900000000, 0.0002687100000000 ] - [ 0.0002203500000000, -0.0000400300000000, 0.0000007400000000 ] - [ 0.0008759200000000, -0.0008301300000000, 0.0004118900000000 ] - [ 0.0008838900000000, 0.0008280100000000, 0.0004797000000000 ] - [ 0.0233500200000000, -0.0023936600000000, 0.0107465800000000 ] - [ 0.0006901600000000, 0.0000019600000000, -0.0001844200000000 ] - [ -0.0006743600000000, 0.0005100100000000, -0.0025305800000000 ] - [ 0.0007577500000000, -0.0001525500000000, -0.0005252900000000 ] - [ -0.0137555800000000, -0.0088821800000000, 0.0190854200000000 ] - [ 0.0009852600000000, -0.0000581000000000, -0.0001772500000000 ] - [ -0.0024748200000000, 0.0006397400000000, 0.0031431000000000 ] - [ -0.0089590100000000, -0.0051225900000000, -0.0201155300000000 ] - [ 0.0029189000000000, -0.0015374500000000, 0.0100807000000000 ] - [ 0.0002055700000000, -0.0001091200000000, 0.0004049000000000 ] - [ 0.0054715800000000, 0.0015293200000000, -0.0033189000000000 ] - [ 0.0002625300000000, 0.0000277800000000, -0.0000619900000000 ] - [ 0.0008071600000000, -0.0001451600000000, 0.0018610000000000 ] - [ 0.0007777900000000, 0.0016741000000000, 0.0029399800000000 ] - [ 0.0011785600000000, 0.0003961300000000, -0.0007889900000000 ] - [ -0.0006133400000000, -0.0002572800000000, -0.0004042500000000 ] - [ -0.0003065100000000, -0.0001340900000000, 0.0006391900000000 ] - [ -0.0001207900000000, 0.0003512800000000, 0.0002813200000000 ] - [ -0.0028414900000000, -0.0008508500000000, -0.0060224700000000 ] - [ -0.0002718500000000, -0.0000856000000000, 0.0000498200000000 ] - [ -0.0001602000000000, 0.0001202200000000, -0.0002897600000000 ] - [ 0.0014093400000000, 0.0005504100000000, -0.0087954100000000 ] - [ -0.0007170400000000, 0.0002423500000000, 0.0002838200000000 ] - [ -0.0003422600000000, -0.0032347200000000, -0.0066098100000000 ] - [ -0.0007193500000000, -0.0002314100000000, 0.0003211900000000 ] - [ 0.0514817800000000, 0.0880442200000000, 0.0721564900000000 ] - [ 0.0001815300000000, 0.0044305700000000, -0.0065390100000000 ] - [ 0.0002042600000000, 0.0000054800000000, -0.0013330100000000 ] - [ 0.0574129200000000, -0.0545483000000000, 0.0679866500000000 ] - [ 0.0001996000000000, 0.0000595000000000, 0.0004563400000000 ] - [ 0.0000550800000000, -0.0002787000000000, 0.0002405900000000 ] - [ 0.0000386500000000, 0.0004288100000000, -0.0000434600000000 ] - [ -0.0051026400000000, -0.0004160500000000, -0.0017419400000000 ] - [ -0.0015353700000000, 0.0006588400000000, -0.0021965700000000 ] - [ 0.0014396900000000, 0.0002607200000000, 0.0003199500000000 ] - [ 0.0009709600000000, -0.0007769200000000, -0.0011918900000000 ] - [ -0.0003813600000000, 0.0002580500000000, -0.0004104000000000 ] - [ -0.0000941600000000, 0.0005256300000000, -0.0004502800000000 ] - [ -0.0002801000000000, -0.0000828100000000, 0.0009641300000000 ] - [ -0.1052756900000000, -0.0302198200000000, 0.1629931500000000 ] - [ -0.0000913900000000, -0.0005607000000000, 0.0003565800000000 ] - [ -0.0001232600000000, 0.0000731000000000, 0.0000917200000000 ] - [ -0.0016360100000000, -0.0000700200000000, -0.0012845900000000 ] - [ -0.0001464800000000, 0.0001703600000000, -0.0000645000000000 ] - [ -0.0022663800000000, 0.0015198000000000, 0.0004081800000000 ] - [ 0.0004509900000000, 0.0001457300000000, -0.0005240700000000 ] - [ -0.0003364600000000, 0.0002843100000000, 0.0007424900000000 ] - [ -0.0006594600000000, -0.0007115100000000, 0.0003477300000000 ] - [ 0.0037294500000000, -0.0052766900000000, 0.0038486100000000 ] - [ -0.0004126700000000, -0.0006393100000000, -0.0013672200000000 ] - [ 0.0000206500000000, -0.0004258400000000, -0.0000324600000000 ] - [ -0.0003525400000000, -0.0002753900000000, 0.0007326500000000 ] - [ 0.0000264100000000, 0.0002772300000000, -0.0000106000000000 ] - [ 0.0048609400000000, -0.0001438100000000, -0.0014093900000000 ] - [ 0.0010929400000000, 0.0024430700000000, 0.0015523100000000 ] - [ 0.0003520100000000, -0.0002971500000000, -0.0002982900000000 ] - [ -0.0000771900000000, 0.0005546600000000, 0.0004005600000000 ] - [ 0.0001923900000000, -0.0000632100000000, 0.0003191100000000 ] - [ -0.0001327900000000, -0.0000539300000000, 0.0000021800000000 ] - [ -0.0023175400000000, -0.0008707700000000, 0.0004494200000000 ] - [ -0.0003388100000000, 0.0000686200000000, 0.0005193100000000 ] - [ -0.0006349500000000, 0.0001140700000000, -0.0003183400000000 ] - [ -0.0004939600000000, -0.0005849200000000, -0.0001391100000000 ] - [ -0.0001892700000000, -0.0001763400000000, -0.0001047200000000 ] - [ -0.0025987400000000, -0.0008882300000000, 0.0090479500000000 ] - [ 0.0039117900000000, -0.0021441000000000, -0.0007270900000000 ] - [ -0.0005195200000000, 0.0000088300000000, -0.0005321500000000 ] - [ 0.0017466600000000, 0.0002612400000000, 0.0016569000000000 ] - [ 0.0002331800000000, 0.0005907600000000, -0.0018573600000000 ] - [ 0.0001537500000000, 0.0000454300000000, 0.0001717300000000 ] - [ -0.0051731200000000, 0.0014573500000000, -0.0054429200000000 ] - [ -0.0001738500000000, 0.0000146100000000, -0.0005108000000000 ] - [ 0.0127660800000000, 0.0021647500000000, 0.0069365300000000 ] - [ 0.0002414600000000, -0.0006689900000000, 0.0004229800000000 ] - [ 0.0002311900000000, 0.0006898100000000, 0.0003810100000000 ] - [ 0.0000246900000000, -0.0000140000000000, -0.0004633300000000 ] - [ -0.0001722400000000, -0.0000228300000000, -0.0004740800000000 ] - [ -0.0000435200000000, -0.0001601900000000, 0.0014751000000000 ] - [ -0.0055835000000000, -0.0041294300000000, 0.0007342600000000 ] - [ -0.0041931700000000, 0.0013749000000000, -0.0086675100000000 ] - [ -0.0000711400000000, -0.0000216500000000, -0.0000931200000000 ] - [ -0.0006195400000000, -0.0001142000000000, -0.0003664900000000 ] - [ -0.0002175500000000, 0.0002243500000000, -0.0003389300000000 ] - [ -0.0005598700000000, 0.0000814200000000, -0.0002661600000000 ] - [ 0.0013499400000000, 0.0006249600000000, -0.0000846200000000 ] - [ 0.0001359900000000, 0.0003615200000000, -0.0012082700000000 ] - [ -0.0001395400000000, -0.0001045800000000, 0.0000688800000000 ] - [ 0.0001356400000000, -0.0000467900000000, 0.0002028800000000 ] - [ 0.0009010400000000, -0.0021945200000000, -0.0093758100000000 ] - [ 0.0004061000000000, -0.0000457500000000, 0.0001603000000000 ] - [ 0.0000887400000000, -0.0000528800000000, -0.0004862400000000 ] - [ -0.0004858100000000, 0.0008388300000000, -0.0022098500000000 ] - [ -0.0003790200000000, 0.0005213000000000, -0.0001135700000000 ] - [ 0.0000243800000000, 0.0000581900000000, -0.0005814800000000 ] - [ -0.0100811100000000, -0.0066184200000000, 0.0004643300000000 ] - [ -0.0001723000000000, -0.0007888700000000, 0.0005296500000000 ] - [ -0.0005488500000000, -0.0000156900000000, -0.0005239700000000 ] - [ 0.0000957300000000, -0.0000794200000000, -0.0002564700000000 ] - [ 0.0115342000000000, 0.0041972500000000, -0.0116531900000000 ] - [ 0.0002949100000000, 0.0014924000000000, -0.0040186600000000 ] - [ -0.0003376000000000, 0.0002466200000000, -0.0002285200000000 ] - [ -0.0001955900000000, 0.0000305900000000, -0.0001687000000000 ] - [ 0.0000511000000000, 0.0001098200000000, -0.0002109700000000 ] - [ -0.0015459500000000, 0.0001925400000000, -0.0006741300000000 ] - [ -0.0041338800000000, -0.0010817400000000, 0.0126246500000000 ] - [ -0.0003074600000000, 0.0000581100000000, 0.0000493500000000 ] - [ -0.0007254700000000, 0.0008976800000000, 0.0023855500000000 ] - [ -0.0004332400000000, -0.0000217200000000, -0.0002440800000000 ] - [ 0.0007625600000000, -0.0006626300000000, -0.0051770400000000 ]- atom: 18 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0001717800000000, 0.0000552600000000, 0.0007581500000000 ] - [ -0.0063896200000000, -0.0002211300000000, 0.0018651700000000 ] - [ -0.0002465300000000, -0.0001583900000000, -0.0011732400000000 ] - [ 0.0001669200000000, 0.0004975200000000, -0.0015329500000000 ] - [ -0.0001212100000000, 0.0001309100000000, -0.0002314200000000 ] - [ -0.0004225400000000, -0.0002633600000000, 0.0001776800000000 ] - [ -0.0001202100000000, -0.0001111900000000, -0.0003660300000000 ] - [ -0.0004360800000000, 0.0002672800000000, 0.0001259600000000 ] - [ 0.0015973000000000, 0.0001449200000000, -0.0008455000000000 ] - [ -0.0021669000000000, -0.0001238700000000, 0.0000734000000000 ] - [ -0.0049742400000000, 0.0017267000000000, -0.0253286500000000 ] - [ 0.0085498700000000, -0.0082762000000000, -0.0386320400000000 ] - [ -0.0007835400000000, -0.0000709200000000, -0.0007181500000000 ] - [ 0.0002860500000000, -0.0002971200000000, -0.0000499000000000 ] - [ -0.0004340800000000, 0.0002700600000000, 0.0001167100000000 ] - [ -0.0004871300000000, -0.0002775300000000, 0.0000804500000000 ] - [ -0.0006685300000000, -0.0009580100000000, -0.0075119500000000 ] - [ 0.0013358100000000, -0.0183302900000000, 0.3517645100000000 ] - [ -0.0010829900000000, 0.0007184600000000, -0.0138623200000000 ] - [ -0.0005328900000000, 0.0005228300000000, 0.0008387700000000 ] - [ -0.0053421300000000, -0.0006206400000000, -0.0018848500000000 ] - [ -0.0006112800000000, 0.0002086700000000, 0.0002754400000000 ] - [ 0.0008546600000000, 0.0003745300000000, 0.0012508300000000 ] - [ -0.0006297700000000, -0.0004799100000000, 0.0008122300000000 ] - [ 0.0072746800000000, -0.0007771600000000, -0.0008109700000000 ] - [ -0.0001979500000000, -0.0002685900000000, 0.0000770600000000 ] - [ -0.0002857300000000, 0.0003741600000000, 0.0001575800000000 ] - [ -0.0002439300000000, -0.0003379400000000, -0.0000811700000000 ] - [ -0.0009460300000000, 0.0007364200000000, -0.0015686100000000 ] - [ 0.0002950500000000, 0.0001921600000000, 0.0003939800000000 ] - [ 0.0039015700000000, 0.0064554300000000, 0.0215814600000000 ] - [ 0.0001392800000000, -0.0000419700000000, -0.0007338900000000 ] - [ -0.0002549400000000, -0.0000614700000000, -0.0000985700000000 ] - [ 0.0003725900000000, -0.0007848100000000, 0.0004142800000000 ] - [ 0.0003645200000000, 0.0007867100000000, 0.0003465100000000 ] - [ -0.0241151800000000, 0.0035826000000000, -0.0090240300000000 ] - [ 0.0001191600000000, -0.0000546900000000, -0.0001458800000000 ] - [ 0.0007771900000000, -0.0003432300000000, 0.0020593200000000 ] - [ -0.0003691800000000, -0.0000110600000000, 0.0003225200000000 ] - [ 0.0130522300000000, 0.0075706500000000, -0.0172518600000000 ] - [ -0.0001755300000000, 0.0001106600000000, -0.0001521800000000 ] - [ 0.0031446500000000, -0.0010713900000000, -0.0027570700000000 ] - [ 0.0090484300000000, 0.0057671700000000, 0.0200124300000000 ] - [ -0.0028575300000000, 0.0008516700000000, -0.0101068400000000 ] - [ 0.0001801400000000, 0.0002724500000000, -0.0006095900000000 ] - [ -0.0047896300000000, -0.0010983800000000, 0.0037151700000000 ] - [ -0.0002971200000000, 0.0000736600000000, -0.0000360300000000 ] - [ -0.0007143300000000, -0.0000257500000000, -0.0023237900000000 ] - [ -0.0017335800000000, -0.0013901200000000, -0.0036409000000000 ] - [ -0.0017428500000000, -0.0013299100000000, 0.0004569300000000 ] - [ 0.0002843700000000, 0.0000216600000000, 0.0003615600000000 ] - [ -0.0001641000000000, -0.0001414000000000, 0.0005086500000000 ] - [ 0.0004052800000000, 0.0000856400000000, 0.0001312200000000 ] - [ 0.0019674000000000, 0.0009161900000000, 0.0050294200000000 ] - [ 0.0001994500000000, -0.0003631100000000, -0.0001784300000000 ] - [ 0.0000332200000000, 0.0000016000000000, -0.0000274400000000 ] - [ -0.0009493600000000, -0.0005087500000000, 0.0091394200000000 ] - [ -0.0003317700000000, 0.0001323800000000, 0.0004223800000000 ] - [ 0.0002243700000000, 0.0033487200000000, 0.0056327600000000 ] - [ -0.0003295200000000, -0.0001429000000000, 0.0003853600000000 ] - [ -0.0495506300000000, -0.0871752100000000, -0.0713073800000000 ] - [ 0.0004672400000000, -0.0031334600000000, 0.0073579600000000 ] - [ -0.0001360900000000, 0.0000810600000000, 0.0008997000000000 ] - [ -0.0558467200000000, 0.0527455700000000, -0.0686614200000000 ] - [ 0.0001411500000000, -0.0004144900000000, -0.0004448800000000 ] - [ 0.0002301900000000, -0.0001577500000000, 0.0001713600000000 ] - [ 0.0002275000000000, 0.0003723900000000, -0.0000686300000000 ] - [ 0.0053175000000000, 0.0003619100000000, 0.0016556300000000 ] - [ 0.0004777700000000, -0.0009253800000000, 0.0015013400000000 ] - [ -0.0011476900000000, 0.0000268900000000, -0.0010277900000000 ] - [ -0.0016376300000000, 0.0007413400000000, 0.0006290300000000 ] - [ 0.0007192100000000, 0.0004099200000000, -0.0001792500000000 ] - [ 0.0004327500000000, -0.0001683500000000, 0.0004594800000000 ] - [ 0.0003537700000000, -0.0000044000000000, -0.0013920800000000 ] - [ 0.1124101200000000, 0.0319001000000000, -0.1706325700000000 ] - [ 0.0001612800000000, -0.0004530200000000, 0.0003658000000000 ] - [ 0.0007535500000000, -0.0002535200000000, -0.0005187400000000 ] - [ 0.0019247000000000, -0.0002147600000000, 0.0005817000000000 ] - [ 0.0000739900000000, 0.0002777700000000, -0.0000648800000000 ] - [ 0.0017034100000000, -0.0005859700000000, -0.0007239500000000 ] - [ 0.0001778200000000, 0.0000343400000000, 0.0000942800000000 ] - [ -0.0000235800000000, 0.0004171300000000, 0.0007813800000000 ] - [ 0.0002656500000000, -0.0002059700000000, -0.0000720900000000 ] - [ -0.0045933900000000, 0.0052862900000000, -0.0049332500000000 ] - [ 0.0007838200000000, 0.0005440400000000, 0.0008503000000000 ] - [ 0.0002454900000000, -0.0003754000000000, -0.0000794400000000 ] - [ -0.0000074400000000, -0.0004263000000000, 0.0007910400000000 ] - [ -0.0004188200000000, 0.0006390000000000, 0.0002826500000000 ] - [ -0.0046802000000000, 0.0001965700000000, 0.0012608700000000 ] - [ -0.0006261300000000, -0.0024039600000000, -0.0020914900000000 ] - [ -0.0000126400000000, -0.0003711400000000, -0.0002920700000000 ] - [ 0.0001471700000000, 0.0004592400000000, 0.0003213200000000 ] - [ -0.0005154400000000, 0.0002975300000000, -0.0003645500000000 ] - [ 0.0000062200000000, -0.0000677700000000, -0.0003190300000000 ] - [ 0.0016461200000000, 0.0009028000000000, -0.0009885900000000 ] - [ -0.0001320400000000, 0.0002064800000000, 0.0006281500000000 ] - [ -0.0004045600000000, 0.0001553700000000, -0.0003759800000000 ] - [ -0.0000675100000000, -0.0003480300000000, -0.0001840500000000 ] - [ -0.0001362900000000, -0.0000582900000000, 0.0000618800000000 ] - [ 0.0021156900000000, 0.0006406200000000, -0.0079152400000000 ] - [ -0.0036071200000000, 0.0025692800000000, 0.0011346800000000 ] - [ -0.0003192000000000, 0.0000454600000000, -0.0004402900000000 ] - [ -0.0018424000000000, -0.0006900400000000, -0.0017708200000000 ] - [ -0.0003581900000000, -0.0004693200000000, 0.0015380800000000 ] - [ 0.0003275300000000, 0.0000031700000000, 0.0001651200000000 ] - [ 0.0041109000000000, -0.0010788900000000, 0.0061495100000000 ] - [ 0.0000834400000000, 0.0001036300000000, -0.0004609900000000 ] - [ -0.0138263000000000, -0.0025822300000000, -0.0061662500000000 ] - [ 0.0004270000000000, -0.0006344900000000, 0.0003889800000000 ] - [ 0.0004373900000000, 0.0006137300000000, 0.0004305700000000 ] - [ 0.0000464500000000, 0.0001009900000000, 0.0000313300000000 ] - [ 0.0000820700000000, -0.0000955200000000, -0.0004974900000000 ] - [ 0.0003821600000000, -0.0001963800000000, -0.0014652000000000 ] - [ 0.0058836500000000, 0.0037029900000000, -0.0003337700000000 ] - [ 0.0045132100000000, -0.0006622600000000, 0.0085719400000000 ] - [ 0.0002935100000000, -0.0000243500000000, -0.0000247300000000 ] - [ -0.0004198800000000, -0.0001552200000000, -0.0003283900000000 ] - [ 0.0005080000000000, 0.0000614700000000, -0.0003660800000000 ] - [ -0.0001071100000000, -0.0001154500000000, -0.0002840100000000 ] - [ -0.0010056500000000, 0.0000443800000000, -0.0005030300000000 ] - [ 0.0002047600000000, -0.0000049800000000, 0.0012161500000000 ] - [ 0.0002098700000000, 0.0000178200000000, -0.0004999400000000 ] - [ 0.0003457500000000, -0.0000016600000000, 0.0001340800000000 ] - [ -0.0008371800000000, 0.0011780500000000, 0.0100638800000000 ] - [ 0.0002202200000000, -0.0001334000000000, -0.0005881300000000 ] - [ 0.0002026100000000, -0.0002330200000000, -0.0002180700000000 ] - [ 0.0004123100000000, -0.0003924800000000, 0.0020796400000000 ] - [ -0.0001825100000000, 0.0004115100000000, -0.0002092700000000 ] - [ 0.0006058100000000, 0.0001223800000000, 0.0001520600000000 ] - [ 0.0098098900000000, 0.0073103500000000, 0.0008694700000000 ] - [ -0.0002224200000000, -0.0001289800000000, -0.0002535700000000 ] - [ -0.0002899900000000, -0.0000383400000000, -0.0004485200000000 ] - [ 0.0002957600000000, -0.0000055100000000, -0.0002686700000000 ] - [ -0.0111340300000000, -0.0049346300000000, 0.0114727600000000 ] - [ -0.0006956900000000, -0.0021456600000000, 0.0055247800000000 ] - [ -0.0000547500000000, 0.0006694000000000, 0.0005008500000000 ] - [ 0.0004184600000000, 0.0000159500000000, 0.0000500700000000 ] - [ 0.0003401300000000, -0.0000249600000000, -0.0003145800000000 ] - [ 0.0018823800000000, -0.0008579100000000, 0.0000816200000000 ] - [ 0.0041038700000000, 0.0022792900000000, -0.0119731300000000 ] - [ -0.0000192700000000, 0.0001770800000000, -0.0000935300000000 ] - [ 0.0005951500000000, -0.0010200900000000, -0.0027025800000000 ] - [ -0.0002339800000000, 0.0000556100000000, -0.0003056700000000 ] - [ -0.0012299600000000, 0.0009341800000000, 0.0063015500000000 ]- atom: 20 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0011121800000000, 0.0000686300000000, -0.0004976300000000 ] - [ 0.0005015100000000, -0.0002027600000000, 0.0002246600000000 ] - [ 0.0009211600000000, -0.0001113500000000, -0.0001047400000000 ] - [ 0.0005121200000000, 0.0001905900000000, 0.0003926300000000 ] - [ 0.0013038100000000, 0.0000764900000000, 0.0001819300000000 ] - [ 0.0001012100000000, -0.0002530400000000, 0.0012446900000000 ] - [ 0.0008178900000000, -0.0001232600000000, -0.0007109100000000 ] - [ 0.0003639500000000, 0.0002746400000000, -0.0008227900000000 ] - [ 0.0052585500000000, 0.0011672100000000, 0.0015995800000000 ] - [ 0.0021806700000000, 0.0002001400000000, -0.0015220500000000 ] - [ 0.0033951300000000, 0.0000780800000000, 0.0000910100000000 ] - [ 0.0036308800000000, -0.0000567100000000, 0.0001537800000000 ] - [ 0.0043036900000000, 0.0004103900000000, -0.0005549500000000 ] - [ 0.0028233800000000, -0.0004012800000000, 0.0000454800000000 ] - [ -0.0073743500000000, 0.0020978400000000, 0.0029051900000000 ] - [ 0.0139530300000000, 0.0093130900000000, -0.0193800100000000 ] - [ 0.0024796900000000, 0.0000993600000000, 0.0002124000000000 ] - [ 0.0032178200000000, -0.0010321500000000, 0.0006938800000000 ] - [ 0.0031728000000000, 0.0010125000000000, 0.0007895800000000 ] - [ -0.3175427000000000, -0.0029098000000000, 0.0200584200000000 ] - [ 0.0042614100000000, 0.0004244200000000, -0.0004610000000000 ] - [ 0.0011078500000000, 0.0000288400000000, -0.0079579800000000 ] - [ 0.0044717700000000, 0.0002627600000000, -0.0005778800000000 ] - [ -0.0088948500000000, -0.0001093800000000, -0.0011727300000000 ] - [ 0.0052601900000000, -0.0006436400000000, -0.0001776400000000 ] - [ -0.0042597300000000, -0.0001974600000000, 0.0007886300000000 ] - [ -0.0164083900000000, 0.0120432200000000, -0.0195772200000000 ] - [ -0.0259492200000000, -0.0052318900000000, 0.0114424200000000 ] - [ 0.0015520300000000, -0.0008422100000000, 0.0009362300000000 ] - [ 0.0228277500000000, 0.0100929900000000, -0.0168529200000000 ] - [ 0.0026838400000000, -0.0001391700000000, 0.0000520400000000 ] - [ 0.0011830800000000, -0.0021723300000000, 0.0076064800000000 ] - [ -0.0001332300000000, -0.0001122300000000, -0.0017441800000000 ] - [ -0.0070524000000000, 0.0104243100000000, 0.0240003600000000 ] - [ -0.0032981300000000, 0.0001014400000000, -0.0130488400000000 ] - [ 0.0026794000000000, 0.0013133200000000, 0.0009092400000000 ] - [ 0.0024730200000000, 0.0002920500000000, -0.0000011900000000 ] - [ 0.0027931400000000, -0.0002769900000000, 0.0000052400000000 ] - [ 0.0034166200000000, 0.0008779300000000, 0.0008881500000000 ] - [ 0.0025841800000000, -0.0012670100000000, 0.0009070900000000 ] - [ 0.0069156500000000, -0.0004742100000000, -0.0011962700000000 ] - [ 0.0031919200000000, -0.0001468400000000, -0.0003296900000000 ] - [ 0.0029735800000000, 0.0002600600000000, -0.0005846500000000 ] - [ 0.0029889000000000, -0.0002554600000000, -0.0006500900000000 ] - [ 0.0025124400000000, -0.0005069900000000, -0.0001213700000000 ] - [ 0.0034132000000000, 0.0001218800000000, -0.0002402200000000 ] - [ 0.0090748200000000, 0.0002715700000000, 0.0052188800000000 ] - [ 0.0030506800000000, 0.0003212200000000, -0.0004471200000000 ] - [ -0.0016454300000000, -0.0000747900000000, -0.0002305500000000 ] - [ -0.0019962800000000, -0.0014264200000000, 0.0001018700000000 ] - [ -0.0007516900000000, -0.0002245100000000, -0.0000166500000000 ] - [ 0.0062938800000000, -0.0053309800000000, 0.0151428200000000 ] - [ 0.0038777700000000, -0.0021151300000000, 0.0000636700000000 ] - [ -0.0015267500000000, -0.0001306900000000, -0.0009021000000000 ] - [ 0.0023575000000000, -0.0035440800000000, 0.0023252500000000 ] - [ 0.0016921200000000, -0.0009384100000000, -0.0009290500000000 ] - [ -0.0006917400000000, 0.0002390100000000, 0.0003153200000000 ] - [ 0.0188036800000000, -0.0002984200000000, 0.0065286000000000 ] - [ -0.0013271200000000, -0.0003459500000000, -0.0005885400000000 ] - [ 0.0106472400000000, 0.0026545500000000, 0.0046103900000000 ] - [ -0.0006416800000000, -0.0009034600000000, 0.0004191200000000 ] - [ -0.0006647800000000, 0.0009519700000000, 0.0003279100000000 ] - [ -0.0005390000000000, -0.0001172400000000, -0.0008216200000000 ] - [ -0.0013427700000000, 0.0003418700000000, -0.0005010500000000 ] - [ -0.0017981400000000, -0.0005454100000000, 0.0047558400000000 ] - [ -0.0053569800000000, -0.0080151300000000, 0.0068766100000000 ] - [ 0.1008492300000000, -0.0842570400000000, -0.0596913100000000 ] - [ -0.0021695100000000, -0.0000319800000000, -0.0006443300000000 ] - [ -0.0015479200000000, 0.0000651500000000, -0.0003639700000000 ] - [ -0.0026340900000000, 0.0003185300000000, -0.0008944600000000 ] - [ -0.0021121400000000, 0.0007372900000000, -0.0001874600000000 ] - [ 0.0018946800000000, 0.0015067700000000, 0.0010781400000000 ] - [ -0.0001444600000000, 0.0011714800000000, -0.0030755900000000 ] - [ -0.0012329900000000, -0.0002466000000000, 0.0007608400000000 ] - [ -0.0007660300000000, -0.0002568000000000, 0.0003865900000000 ] - [ 0.0049196800000000, 0.0024065800000000, 0.0001777300000000 ] - [ -0.0005490900000000, 0.0005494500000000, 0.0010369000000000 ] - [ -0.0012908900000000, 0.0000895900000000, -0.0009882600000000 ] - [ 0.0064544600000000, 0.0060078300000000, -0.0105435100000000 ] - [ -0.0017172800000000, 0.0012584100000000, 0.0002882800000000 ] - [ -0.0006402100000000, -0.0000241900000000, -0.0015310000000000 ] - [ 0.1516827700000000, 0.0776458000000000, 0.0328624600000000 ] - [ -0.0014733800000000, -0.0017444200000000, 0.0021005300000000 ] - [ -0.0016326600000000, 0.0001234000000000, -0.0009103700000000 ] - [ -0.0009494100000000, -0.0005203100000000, -0.0000301000000000 ] - [ 0.0037902500000000, 0.0002042000000000, -0.0011315900000000 ] - [ 0.0040996300000000, -0.0025819600000000, 0.0026854000000000 ] - [ -0.0006883400000000, -0.0001331000000000, -0.0015141500000000 ] - [ -0.0025565000000000, 0.0000666800000000, -0.0009196200000000 ] - [ -0.0011216400000000, 0.0006150600000000, 0.0000905200000000 ] - [ -0.0076012000000000, 0.0021259600000000, -0.0027727000000000 ] - [ 0.0413651500000000, -0.0169120000000000, 0.0127287500000000 ] - [ -0.0012934900000000, -0.0000370900000000, -0.0000701300000000 ] - [ -0.0021265500000000, 0.0012451300000000, 0.0076712200000000 ] - [ -0.0018238800000000, -0.0006087100000000, 0.0000284100000000 ] - [ 0.0037399100000000, 0.0013991500000000, -0.0003201000000000 ] - [ -0.0025475400000000, -0.0008390700000000, -0.0010786300000000 ] - [ -0.0024835900000000, -0.0017199100000000, 0.0006506000000000 ] - [ -0.0008073700000000, -0.0000631900000000, 0.0000376400000000 ] - [ -0.0011242600000000, 0.0002359300000000, 0.0006217700000000 ] - [ -0.0015842100000000, 0.0011767900000000, 0.0007520000000000 ] - [ 0.0000136100000000, 0.0003424100000000, -0.0002211700000000 ] - [ -0.0017543500000000, 0.0007297700000000, 0.0004837200000000 ] - [ -0.0008935900000000, 0.0003129000000000, 0.0000334800000000 ] - [ 0.0002633300000000, 0.0001133900000000, 0.0030454500000000 ] - [ -0.0024868000000000, 0.0006902200000000, -0.0001619300000000 ] - [ 0.0014326800000000, 0.0013648500000000, 0.0042123100000000 ] - [ -0.0024617500000000, -0.0006979900000000, -0.0001531700000000 ] - [ 0.0002066300000000, -0.0046490600000000, -0.0039193700000000 ] - [ 0.0017053200000000, -0.0011229900000000, 0.0036165500000000 ] - [ -0.0009198100000000, 0.0000457700000000, 0.0003943900000000 ] - [ 0.0032284800000000, -0.0003772100000000, -0.0035159800000000 ] - [ -0.0011123600000000, -0.0008718400000000, -0.0002042600000000 ] - [ -0.0016717600000000, -0.0012194500000000, 0.0007780600000000 ] - [ -0.0009170200000000, 0.0006714000000000, 0.0001266700000000 ] - [ -0.0002700400000000, -0.0003039100000000, -0.0011961100000000 ] - [ -0.0007156000000000, -0.0002610600000000, 0.0000830800000000 ] - [ -0.0024205300000000, -0.0000259200000000, -0.0011856900000000 ] - [ -0.0026124400000000, 0.0009790200000000, 0.0005847100000000 ] - [ -0.0015102100000000, -0.0002303300000000, -0.0008528900000000 ] - [ -0.0009638600000000, 0.0006225400000000, 0.0001689200000000 ] - [ -0.0008614100000000, 0.0000005700000000, -0.0005403100000000 ] - [ -0.0018722100000000, 0.0006445300000000, -0.0079176700000000 ] - [ -0.0011591500000000, -0.0010253300000000, 0.0005261200000000 ] - [ -0.0011027700000000, 0.0003926900000000, -0.0004683800000000 ] - [ -0.0012957200000000, -0.0001047300000000, -0.0007112700000000 ] - [ -0.0017960500000000, -0.0007537800000000, 0.0005268500000000 ] - [ -0.0011753500000000, 0.0009262400000000, -0.0001770900000000 ] - [ -0.0012838700000000, -0.0004641700000000, -0.0001938100000000 ] - [ -0.0018697000000000, -0.0003752400000000, 0.0005105200000000 ] - [ -0.0012176200000000, -0.0006711200000000, 0.0003554000000000 ] - [ -0.0046092200000000, -0.0002622500000000, -0.0020490100000000 ] - [ -0.0001927800000000, -0.0001720200000000, 0.0000746000000000 ] - [ -0.0008909200000000, -0.0006626500000000, 0.0001333900000000 ] - [ -0.0018017700000000, 0.0003524900000000, 0.0005038000000000 ] - [ -0.0014980500000000, 0.0008502400000000, 0.0005505400000000 ] - [ -0.0038754100000000, -0.0001206700000000, -0.0002226600000000 ] - [ -0.0021716700000000, 0.0012073000000000, 0.0001449300000000 ] - [ -0.0018053400000000, 0.0002461100000000, -0.0008726300000000 ] - [ -0.0011736500000000, 0.0010201200000000, 0.0005347800000000 ] - [ -0.0012398400000000, 0.0002102500000000, -0.0001738000000000 ] - [ -0.0009137400000000, -0.0003356300000000, -0.0000688400000000 ] - [ -0.0013479200000000, -0.0003122200000000, -0.0006153100000000 ] - [ -0.0011046700000000, -0.0002116200000000, 0.0006508400000000 ]- atom: 20 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0011435600000000, 0.0001684100000000, -0.0000981600000000 ] - [ -0.0011882000000000, -0.0003158600000000, 0.0001079300000000 ] - [ -0.0009520100000000, -0.0001258700000000, -0.0004942100000000 ] - [ -0.0011991800000000, 0.0003276000000000, -0.0000612700000000 ] - [ -0.0013338000000000, 0.0001596500000000, -0.0007764900000000 ] - [ -0.0007947100000000, -0.0002653800000000, -0.0009083800000000 ] - [ -0.0008502700000000, -0.0001140100000000, 0.0001108400000000 ] - [ -0.0010499500000000, 0.0002427500000000, 0.0011465900000000 ] - [ -0.0050584300000000, -0.0008686100000000, -0.0023103300000000 ] - [ -0.0019559400000000, -0.0005072700000000, 0.0008286500000000 ] - [ -0.0035862700000000, 0.0004316700000000, 0.0001097300000000 ] - [ -0.0038236700000000, -0.0004529400000000, 0.0000461200000000 ] - [ -0.0040848900000000, -0.0001078600000000, -0.0001466000000000 ] - [ -0.0026142900000000, 0.0000983400000000, -0.0007434700000000 ] - [ 0.0071793300000000, -0.0015916500000000, -0.0027266500000000 ] - [ -0.0141282800000000, -0.0097177400000000, 0.0194759600000000 ] - [ -0.0025081900000000, -0.0001997400000000, -0.0003092000000000 ] - [ -0.0019644200000000, -0.0005838300000000, 0.0001336700000000 ] - [ -0.0019193900000000, 0.0006036300000000, 0.0000370500000000 ] - [ 0.3102462000000000, 0.0010021000000000, -0.0173857400000000 ] - [ -0.0034364600000000, -0.0004747300000000, 0.0001328300000000 ] - [ -0.0009686000000000, 0.0001328800000000, 0.0075495200000000 ] - [ -0.0040841000000000, -0.0004213900000000, 0.0003856400000000 ] - [ 0.0083329200000000, -0.0010468400000000, 0.0028271000000000 ] - [ -0.0044418200000000, 0.0006951900000000, -0.0001506100000000 ] - [ 0.0049964300000000, -0.0002250500000000, -0.0004259900000000 ] - [ 0.0166414600000000, -0.0115186500000000, 0.0194936800000000 ] - [ 0.0262406000000000, 0.0046013500000000, -0.0115089800000000 ] - [ -0.0011468600000000, 0.0010055000000000, -0.0011460800000000 ] - [ -0.0223824200000000, -0.0098802600000000, 0.0174043200000000 ] - [ -0.0027138400000000, 0.0002399500000000, -0.0001477500000000 ] - [ -0.0010750600000000, 0.0020112900000000, -0.0081311100000000 ] - [ 0.0000949700000000, 0.0000141700000000, 0.0016403700000000 ] - [ 0.0079767300000000, -0.0120710000000000, -0.0232438400000000 ] - [ 0.0044652600000000, 0.0015110500000000, 0.0138816300000000 ] - [ -0.0032571400000000, -0.0001643500000000, 0.0007557100000000 ] - [ -0.0016646600000000, -0.0003455100000000, -0.0003263600000000 ] - [ -0.0026883500000000, 0.0004468400000000, -0.0004701100000000 ] - [ -0.0030166300000000, -0.0010384000000000, -0.0010873200000000 ] - [ -0.0031621700000000, 0.0001180500000000, 0.0007578800000000 ] - [ -0.0060839400000000, 0.0005342900000000, 0.0008627300000000 ] - [ -0.0025030100000000, -0.0002886100000000, 0.0007087100000000 ] - [ -0.0029102700000000, 0.0004291500000000, 0.0005420100000000 ] - [ -0.0029254700000000, -0.0004337200000000, 0.0006068900000000 ] - [ -0.0021182000000000, 0.0006701300000000, -0.0000847700000000 ] - [ -0.0027229200000000, 0.0003133200000000, 0.0006195600000000 ] - [ -0.0090680300000000, -0.0001901700000000, -0.0052283500000000 ] - [ -0.0029439700000000, -0.0004909100000000, -0.0000209300000000 ] - [ 0.0006042400000000, 0.0003449200000000, -0.0004641700000000 ] - [ 0.0014313800000000, 0.0004917900000000, -0.0004236600000000 ] - [ 0.0004214700000000, -0.0000100200000000, -0.0000252800000000 ] - [ -0.0069141200000000, 0.0051719800000000, -0.0139771500000000 ] - [ -0.0036177500000000, 0.0025616900000000, 0.0003603800000000 ] - [ 0.0006859000000000, 0.0001848600000000, -0.0000715300000000 ] - [ -0.0025011700000000, 0.0031657900000000, -0.0024025300000000 ] - [ -0.0018362600000000, 0.0010630200000000, 0.0006290200000000 ] - [ 0.0011726200000000, -0.0001910900000000, 0.0000227900000000 ] - [ -0.0198357700000000, 0.0007310600000000, -0.0058791100000000 ] - [ 0.0012356400000000, 0.0004639900000000, -0.0003840900000000 ] - [ -0.0117119700000000, -0.0030118100000000, -0.0038937800000000 ] - [ 0.0013089700000000, -0.0003997500000000, 0.0003920100000000 ] - [ 0.0013325600000000, 0.0003511900000000, 0.0004841500000000 ] - [ 0.0006032600000000, 0.0002045900000000, 0.0003968300000000 ] - [ 0.0012513100000000, -0.0004600400000000, -0.0004722300000000 ] - [ 0.0021352100000000, 0.0001831500000000, -0.0047853100000000 ] - [ 0.0054293200000000, 0.0073930400000000, -0.0066151900000000 ] - [ -0.0993506800000000, 0.0825125600000000, 0.0571365400000000 ] - [ 0.0023844100000000, -0.0000151500000000, 0.0005217500000000 ] - [ 0.0005061000000000, -0.0003351900000000, -0.0003300100000000 ] - [ 0.0029208300000000, -0.0000352500000000, 0.0001862700000000 ] - [ 0.0014412100000000, -0.0007698000000000, -0.0003620200000000 ] - [ -0.0015840500000000, -0.0008548400000000, -0.0016822400000000 ] - [ 0.0004759900000000, -0.0008154200000000, 0.0031058400000000 ] - [ 0.0013010700000000, 0.0001621300000000, -0.0011975000000000 ] - [ 0.0012473400000000, 0.0002091700000000, -0.0000488700000000 ] - [ -0.0048632300000000, -0.0034169400000000, 0.0005533200000000 ] - [ 0.0011639000000000, -0.0007263100000000, -0.0014785300000000 ] - [ 0.0015702700000000, -0.0003762400000000, 0.0002828700000000 ] - [ -0.0066413900000000, -0.0056185600000000, 0.0104864300000000 ] - [ 0.0011499100000000, -0.0003223700000000, -0.0006109600000000 ] - [ 0.0012629900000000, 0.0002002800000000, 0.0011071700000000 ] - [ -0.1460699200000000, -0.0714667600000000, -0.0294181100000000 ] - [ 0.0010746500000000, 0.0008312900000000, -0.0018318500000000 ] - [ 0.0007926400000000, -0.0001774100000000, -0.0000634500000000 ] - [ 0.0013371200000000, 0.0004333500000000, -0.0004935900000000 ] - [ -0.0035303800000000, -0.0010042600000000, 0.0010251000000000 ] - [ -0.0044619600000000, 0.0018815300000000, -0.0011583000000000 ] - [ 0.0002903000000000, 0.0010592200000000, 0.0018069100000000 ] - [ 0.0027745000000000, -0.0000192800000000, 0.0007981400000000 ] - [ 0.0015104200000000, -0.0005288300000000, -0.0006159400000000 ] - [ 0.0079500300000000, -0.0027904100000000, 0.0021902700000000 ] - [ -0.0413589300000000, 0.0181620500000000, -0.0123486400000000 ] - [ 0.0009660400000000, 0.0002742200000000, 0.0000257300000000 ] - [ 0.0020185300000000, -0.0013439300000000, -0.0080399400000000 ] - [ 0.0011495700000000, 0.0006400400000000, -0.0005786500000000 ] - [ -0.0042375900000000, -0.0011534400000000, 0.0014441600000000 ] - [ 0.0015021400000000, 0.0011066600000000, 0.0003759400000000 ] - [ 0.0019157600000000, 0.0007834600000000, -0.0009703200000000 ] - [ 0.0004800500000000, -0.0001715600000000, -0.0000794800000000 ] - [ 0.0006508700000000, -0.0005082700000000, 0.0005233900000000 ] - [ 0.0018673200000000, -0.0007392400000000, -0.0003402800000000 ] - [ -0.0008491700000000, -0.0002856500000000, -0.0007461900000000 ] - [ 0.0016753700000000, -0.0011742800000000, -0.0006092400000000 ] - [ 0.0007648200000000, -0.0001922900000000, -0.0003473900000000 ] - [ 0.0002333000000000, -0.0000711400000000, -0.0027123600000000 ] - [ 0.0014336700000000, -0.0003164000000000, 0.0008676900000000 ] - [ -0.0015078100000000, -0.0012392600000000, -0.0051539200000000 ] - [ 0.0014088800000000, 0.0003245700000000, 0.0008589400000000 ] - [ 0.0005325600000000, 0.0034085400000000, 0.0047545100000000 ] - [ -0.0010008000000000, 0.0024139200000000, -0.0027886000000000 ] - [ 0.0009855400000000, 0.0000408000000000, -0.0008219900000000 ] - [ -0.0032456700000000, 0.0002160400000000, 0.0025802500000000 ] - [ 0.0014485000000000, 0.0005125000000000, 0.0002121800000000 ] - [ 0.0019545700000000, 0.0007818100000000, -0.0003660000000000 ] - [ 0.0011804000000000, 0.0001297100000000, -0.0002406400000000 ] - [ 0.0004994600000000, 0.0002570000000000, 0.0010759300000000 ] - [ -0.0003225600000000, -0.0000106600000000, -0.0007741400000000 ] - [ 0.0027001100000000, 0.0003104900000000, 0.0004774800000000 ] - [ 0.0019356100000000, -0.0010116800000000, -0.0011318800000000 ] - [ 0.0018439300000000, 0.0008952100000000, 0.0002606200000000 ] - [ 0.0013007900000000, -0.0002645500000000, -0.0001582700000000 ] - [ 0.0009277200000000, -0.0000867500000000, 0.0001070600000000 ] - [ 0.0024488800000000, -0.0005637500000000, 0.0081700600000000 ] - [ 0.0012261600000000, 0.0000108800000000, 0.0001980000000000 ] - [ 0.0017284600000000, -0.0005710900000000, 0.0000363000000000 ] - [ 0.0015832000000000, -0.0001808200000000, 0.0000066900000000 ] - [ 0.0017172500000000, 0.0011980400000000, -0.0006525900000000 ] - [ 0.0006132200000000, 0.0000067900000000, -0.0001470800000000 ] - [ 0.0019082400000000, 0.0006421200000000, -0.0002366800000000 ] - [ 0.0015068100000000, 0.0010756400000000, 0.0010154800000000 ] - [ 0.0008232100000000, -0.0002466200000000, -0.0000789800000000 ] - [ 0.0037233100000000, 0.0001964100000000, 0.0010510500000000 ] - [ 0.0005842900000000, 0.0000859500000000, -0.0005975300000000 ] - [ 0.0011541900000000, -0.0001386700000000, -0.0002473600000000 ] - [ 0.0014386000000000, -0.0010528900000000, 0.0010219000000000 ] - [ 0.0011015900000000, 0.0000686200000000, -0.0002729600000000 ] - [ 0.0040959000000000, 0.0001695600000000, 0.0001056400000000 ] - [ 0.0025599700000000, -0.0011146500000000, -0.0006713700000000 ] - [ 0.0021371800000000, -0.0009109900000000, 0.0002806300000000 ] - [ 0.0012406100000000, -0.0000056700000000, 0.0001889800000000 ] - [ 0.0009092000000000, 0.0000259200000000, 0.0001301800000000 ] - [ 0.0007848800000000, 0.0002149400000000, -0.0002454900000000 ] - [ 0.0006790000000000, 0.0003464600000000, 0.0000618900000000 ] - [ 0.0006314300000000, 0.0004840700000000, 0.0004945400000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002812800000000, 0.0001142400000000, -0.0003839400000000 ] - [ -0.0001393600000000, -0.0002472600000000, 0.0001639600000000 ] - [ 0.0001430100000000, -0.0001105400000000, -0.0002321500000000 ] - [ -0.0001384600000000, 0.0002405500000000, 0.0002404000000000 ] - [ 0.0004175800000000, 0.0001053300000000, -0.0000464600000000 ] - [ -0.0002717300000000, -0.0001747800000000, 0.0006573300000000 ] - [ 0.0000694000000000, -0.0001176000000000, -0.0005305700000000 ] - [ -0.0006068400000000, 0.0001495900000000, -0.0004377500000000 ] - [ 0.0019057000000000, 0.0007834600000000, 0.0008556000000000 ] - [ 0.0004667300000000, -0.0000240500000000, -0.0008918900000000 ] - [ 0.0007319400000000, 0.0002127900000000, 0.0000902200000000 ] - [ 0.0008383500000000, -0.0002035000000000, 0.0001196800000000 ] - [ 0.0013228400000000, 0.0002046100000000, -0.0005084000000000 ] - [ 0.0005952600000000, -0.0002158200000000, -0.0001371900000000 ] - [ -0.0008758000000000, -0.0004394000000000, 0.0022302200000000 ] - [ 0.0071556600000000, 0.0244346700000000, -0.0104804100000000 ] - [ 0.0005646200000000, -0.0000169000000000, 0.0000287400000000 ] - [ 0.0012635900000000, -0.0008634400000000, 0.0004723000000000 ] - [ 0.0012405800000000, 0.0008549000000000, 0.0005149300000000 ] - [ -0.0061896200000000, -0.3284734300000000, -0.0179574100000000 ] - [ 0.0012492200000000, 0.0000719800000000, -0.0002862500000000 ] - [ 0.0001268200000000, 0.0017764100000000, -0.0028144000000000 ] - [ 0.0011606800000000, -0.0005608700000000, -0.0005805100000000 ] - [ -0.0007241100000000, 0.0002680600000000, 0.0004843400000000 ] - [ 0.0016896500000000, -0.0001622800000000, -0.0001017300000000 ] - [ -0.0011874200000000, -0.0013116000000000, 0.0001389400000000 ] - [ 0.0089363500000000, -0.0255922600000000, 0.0053174500000000 ] - [ -0.0122244300000000, 0.0138073300000000, -0.0026347300000000 ] - [ 0.0001609400000000, -0.0000317100000000, -0.0000030000000000 ] - [ 0.0137259200000000, 0.0178717800000000, -0.0124170300000000 ] - [ 0.0006653000000000, 0.0000020300000000, -0.0000387900000000 ] - [ -0.0018315900000000, -0.0032375300000000, 0.0027246200000000 ] - [ -0.0011924500000000, 0.0004297300000000, 0.0001893500000000 ] - [ -0.0088064500000000, 0.0311151500000000, -0.0027077400000000 ] - [ -0.0041978800000000, -0.0041039900000000, 0.0086070800000000 ] - [ 0.0004455500000000, 0.0007598300000000, 0.0008510000000000 ] - [ 0.0004430700000000, -0.0000024200000000, 0.0003967600000000 ] - [ 0.0006969200000000, -0.0000011700000000, -0.0001100100000000 ] - [ 0.0011248900000000, 0.0001764800000000, 0.0002404300000000 ] - [ 0.0003992800000000, -0.0007381400000000, 0.0008513700000000 ] - [ 0.0021055100000000, 0.0001965800000000, -0.0010738300000000 ] - [ 0.0010084500000000, -0.0002029100000000, 0.0000565000000000 ] - [ 0.0007481600000000, 0.0003245000000000, -0.0001501200000000 ] - [ 0.0007520600000000, -0.0003224500000000, -0.0001830300000000 ] - [ 0.0006209600000000, -0.0000214600000000, -0.0002171900000000 ] - [ 0.0011210600000000, 0.0001921000000000, 0.0000906800000000 ] - [ 0.0053893500000000, -0.0019627200000000, 0.0023034100000000 ] - [ 0.0008084800000000, 0.0000172800000000, -0.0003498400000000 ] - [ -0.0008056900000000, 0.0000825000000000, -0.0003041800000000 ] - [ -0.0007251400000000, -0.0007498300000000, -0.0001170000000000 ] - [ -0.0002308400000000, -0.0001452700000000, 0.0000770900000000 ] - [ 0.0035956700000000, 0.0105683100000000, -0.0120563600000000 ] - [ 0.0007819400000000, -0.0000386100000000, 0.0003490000000000 ] - [ -0.0006786200000000, -0.0000097600000000, -0.0005831000000000 ] - [ 0.0004701700000000, 0.0034055800000000, -0.0027189900000000 ] - [ 0.0004401400000000, -0.0002554300000000, -0.0002799400000000 ] - [ 0.0000223600000000, 0.0000735600000000, 0.0001981400000000 ] - [ 0.0082351700000000, -0.0074682800000000, 0.0101829300000000 ] - [ -0.0003546400000000, -0.0000397600000000, -0.0005212400000000 ] - [ -0.0013230800000000, 0.0011976300000000, -0.0007333600000000 ] - [ 0.0000981300000000, -0.0007083000000000, 0.0004178300000000 ] - [ 0.0000882200000000, 0.0007306600000000, 0.0003763200000000 ] - [ -0.0000030000000000, -0.0000082800000000, -0.0004955900000000 ] - [ -0.0003634100000000, 0.0000382800000000, -0.0004811900000000 ] - [ 0.0003113800000000, -0.0006818000000000, 0.0016106000000000 ] - [ -0.0051307700000000, -0.0000179900000000, 0.0045683000000000 ] - [ -0.0785284300000000, 0.1228925500000000, 0.0742584900000000 ] - [ -0.0004119500000000, -0.0000235200000000, -0.0001752500000000 ] - [ -0.0007532700000000, -0.0000891000000000, -0.0003613200000000 ] - [ -0.0007571100000000, 0.0003765700000000, -0.0004224800000000 ] - [ -0.0007749600000000, 0.0001913300000000, -0.0002951200000000 ] - [ 0.0009782900000000, 0.0009567300000000, 0.0003979500000000 ] - [ 0.0005198400000000, 0.0007798200000000, -0.0008945400000000 ] - [ -0.0002872600000000, -0.0000811700000000, 0.0001762900000000 ] - [ -0.0000125500000000, -0.0000821700000000, 0.0002301700000000 ] - [ -0.0000491600000000, -0.0015854300000000, 0.0006351500000000 ] - [ -0.0000264900000000, -0.0000332000000000, 0.0002899600000000 ] - [ -0.0000836400000000, -0.0000927500000000, -0.0004581400000000 ] - [ 0.0038746900000000, -0.0002093800000000, -0.0007722900000000 ] - [ -0.0006083500000000, 0.0006479600000000, -0.0000280000000000 ] - [ 0.0006161700000000, 0.0003257500000000, -0.0007120300000000 ] - [ 0.0850980300000000, 0.0809632900000000, 0.0269181000000000 ] - [ -0.0006210700000000, -0.0011728700000000, 0.0009085800000000 ] - [ -0.0007258200000000, 0.0000074900000000, -0.0005928900000000 ] - [ -0.0000625700000000, -0.0001512900000000, -0.0002138100000000 ] - [ 0.0004383800000000, -0.0004244100000000, -0.0003554200000000 ] - [ -0.0000097900000000, -0.0002527000000000, 0.0003581800000000 ] - [ 0.0001621700000000, 0.0002234500000000, -0.0006510500000000 ] - [ -0.0005856900000000, 0.0000406600000000, -0.0003101400000000 ] - [ -0.0001420100000000, 0.0001921900000000, -0.0001639700000000 ] - [ -0.0060762000000000, -0.0001040000000000, -0.0013810500000000 ] - [ -0.0146715900000000, 0.0792823200000000, -0.0759520900000000 ] - [ -0.0004718700000000, -0.0000189200000000, -0.0000020700000000 ] - [ -0.0024945900000000, -0.0002729600000000, 0.0050507900000000 ] - [ -0.0006888400000000, -0.0001350000000000, -0.0001678500000000 ] - [ 0.0014609400000000, 0.0003914300000000, 0.0034318600000000 ] - [ -0.0014330100000000, -0.0006351200000000, -0.0005199200000000 ] - [ -0.0009391500000000, -0.0008570000000000, 0.0002185400000000 ] - [ -0.0002498100000000, -0.0000845900000000, 0.0000048400000000 ] - [ -0.0004558000000000, -0.0000423800000000, 0.0005806600000000 ] - [ -0.0002672400000000, 0.0004462900000000, 0.0003342800000000 ] - [ -0.0002301000000000, -0.0001077200000000, -0.0010545500000000 ] - [ -0.0004539600000000, 0.0000081500000000, 0.0000647600000000 ] - [ -0.0002628000000000, 0.0001190800000000, -0.0000989900000000 ] - [ 0.0013270200000000, -0.0002358800000000, -0.0008678100000000 ] - [ -0.0010060600000000, 0.0003077500000000, 0.0002272300000000 ] - [ 0.0006369300000000, 0.0020239000000000, 0.0009539700000000 ] - [ -0.0009962900000000, -0.0003120100000000, 0.0002301200000000 ] - [ 0.0014396800000000, -0.0033819500000000, 0.0009405500000000 ] - [ 0.0034806500000000, -0.0028344400000000, -0.0012025000000000 ] - [ -0.0001869200000000, 0.0000543700000000, 0.0000534000000000 ] - [ 0.0010823800000000, -0.0022391100000000, -0.0009583800000000 ] - [ -0.0001673900000000, -0.0003810000000000, -0.0000943500000000 ] - [ -0.0003115400000000, -0.0004684200000000, 0.0003496100000000 ] - [ -0.0001269200000000, 0.0004676300000000, -0.0000133600000000 ] - [ 0.0000834700000000, -0.0000510500000000, -0.0006684800000000 ] - [ -0.0001939100000000, -0.0002129400000000, -0.0002302900000000 ] - [ -0.0005827700000000, 0.0000699800000000, -0.0005818500000000 ] - [ -0.0010785100000000, 0.0002200100000000, 0.0002323600000000 ] - [ -0.0002052100000000, 0.0001971700000000, -0.0004340700000000 ] - [ -0.0000838700000000, 0.0002527900000000, 0.0000949200000000 ] - [ -0.0002023500000000, -0.0000231100000000, -0.0004130000000000 ] - [ 0.0021466700000000, -0.0067354900000000, 0.0014460800000000 ] - [ -0.0002549500000000, -0.0006338300000000, 0.0004009100000000 ] - [ -0.0000193800000000, 0.0000227300000000, -0.0003166300000000 ] - [ -0.0000658300000000, -0.0001513200000000, -0.0004016200000000 ] - [ -0.0004708400000000, -0.0000173800000000, 0.0000869000000000 ] - [ -0.0003901300000000, 0.0005038700000000, -0.0003117200000000 ] - [ -0.0000944800000000, -0.0000529600000000, -0.0001717700000000 ] - [ -0.0006004800000000, 0.0001706100000000, 0.0007030200000000 ] - [ -0.0004105300000000, -0.0004872500000000, 0.0001582400000000 ] - [ -0.0042060200000000, 0.0003820500000000, -0.0001884500000000 ] - [ 0.0005268700000000, -0.0000099100000000, -0.0002833200000000 ] - [ -0.0001145100000000, -0.0004635000000000, -0.0000107000000000 ] - [ -0.0005684100000000, -0.0001814700000000, 0.0006999900000000 ] - [ -0.0005495600000000, 0.0005772500000000, 0.0002726100000000 ] - [ -0.0009177100000000, -0.0003820600000000, 0.0002251300000000 ] - [ -0.0010763100000000, 0.0011039200000000, 0.0001734400000000 ] - [ -0.0003488700000000, -0.0001898300000000, -0.0004342100000000 ] - [ -0.0002626500000000, 0.0006318200000000, 0.0004049400000000 ] - [ -0.0005049400000000, 0.0001647900000000, -0.0000709200000000 ] - [ -0.0002753600000000, -0.0001296200000000, -0.0001461100000000 ] - [ -0.0004362900000000, 0.0000353800000000, -0.0005648700000000 ] - [ -0.0004451300000000, 0.0000547000000000, 0.0005951800000000 ]- atom: 20 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003155000000000, 0.0001227800000000, -0.0002126400000000 ] - [ -0.0005499300000000, -0.0002717000000000, 0.0001678700000000 ] - [ -0.0001782400000000, -0.0001266400000000, -0.0003664000000000 ] - [ -0.0005513500000000, 0.0002779600000000, 0.0000908400000000 ] - [ -0.0004541700000000, 0.0001314900000000, -0.0005528300000000 ] - [ -0.0004193000000000, -0.0003442300000000, -0.0003299000000000 ] - [ -0.0001026400000000, -0.0001197500000000, -0.0000655400000000 ] - [ -0.0000795900000000, 0.0003684100000000, 0.0007745300000000 ] - [ -0.0017135900000000, -0.0004847000000000, -0.0015576300000000 ] - [ -0.0002573000000000, -0.0002797700000000, 0.0001927500000000 ] - [ -0.0009341800000000, 0.0002974600000000, 0.0001093500000000 ] - [ -0.0010417000000000, -0.0003065700000000, 0.0000795300000000 ] - [ -0.0011225900000000, 0.0000979600000000, -0.0001892600000000 ] - [ -0.0003907200000000, -0.0000865200000000, -0.0005633600000000 ] - [ 0.0007317100000000, 0.0009396300000000, -0.0020728300000000 ] - [ -0.0071138200000000, -0.0249336300000000, 0.0106984900000000 ] - [ -0.0006002900000000, -0.0000844100000000, -0.0001258300000000 ] - [ -0.0000166500000000, -0.0007518800000000, 0.0003545500000000 ] - [ 0.0000063700000000, 0.0007604900000000, 0.0003115200000000 ] - [ -0.0023412100000000, 0.3320622000000000, 0.0192704900000000 ] - [ -0.0004394500000000, -0.0001250000000000, -0.0000443100000000 ] - [ -0.0000118700000000, -0.0016154200000000, 0.0023696500000000 ] - [ -0.0007736200000000, 0.0004006900000000, 0.0003880600000000 ] - [ 0.0002139400000000, -0.0014191500000000, 0.0011376600000000 ] - [ -0.0008833600000000, 0.0002159400000000, -0.0002271000000000 ] - [ 0.0018958000000000, 0.0008694400000000, 0.0002088200000000 ] - [ -0.0086901200000000, 0.0260582900000000, -0.0053216600000000 ] - [ 0.0121632400000000, -0.0143935600000000, 0.0024021400000000 ] - [ 0.0002261900000000, 0.0001974600000000, -0.0002099900000000 ] - [ -0.0132980500000000, -0.0176482900000000, 0.0129178800000000 ] - [ -0.0007012500000000, 0.0000995900000000, -0.0000574400000000 ] - [ 0.0019194400000000, 0.0030692700000000, -0.0032133700000000 ] - [ 0.0011714500000000, -0.0005265000000000, -0.0002822000000000 ] - [ 0.0100203800000000, -0.0327764900000000, 0.0035474100000000 ] - [ 0.0054594800000000, 0.0056970800000000, -0.0077027900000000 ] - [ -0.0010313900000000, 0.0003877600000000, 0.0008136200000000 ] - [ 0.0003729600000000, -0.0000500700000000, -0.0007314700000000 ] - [ -0.0006018500000000, 0.0001725900000000, -0.0003573300000000 ] - [ -0.0007408100000000, -0.0003409700000000, -0.0004456800000000 ] - [ -0.0009849200000000, -0.0004095300000000, 0.0008132100000000 ] - [ -0.0012998700000000, -0.0001471600000000, 0.0007581200000000 ] - [ -0.0003289600000000, -0.0002329900000000, 0.0003241700000000 ] - [ -0.0006940000000000, 0.0003654400000000, 0.0001094000000000 ] - [ -0.0006979000000000, -0.0003676000000000, 0.0001431400000000 ] - [ -0.0002331500000000, 0.0001850600000000, 0.0000144900000000 ] - [ -0.0004422500000000, 0.0002438400000000, 0.0002896000000000 ] - [ -0.0054806400000000, 0.0020667700000000, -0.0023971900000000 ] - [ -0.0007134100000000, -0.0001890700000000, -0.0001157900000000 ] - [ -0.0002326500000000, 0.0001888800000000, -0.0003898300000000 ] - [ 0.0001644300000000, -0.0001826500000000, -0.0002065700000000 ] - [ -0.0000957900000000, -0.0000886200000000, -0.0001154100000000 ] - [ -0.0040826900000000, -0.0106467700000000, 0.0130980300000000 ] - [ -0.0005233400000000, 0.0004900400000000, 0.0000742800000000 ] - [ -0.0001580400000000, 0.0000651700000000, -0.0003896000000000 ] - [ -0.0006003700000000, -0.0037768400000000, 0.0026212700000000 ] - [ -0.0005714600000000, 0.0003690300000000, -0.0000142600000000 ] - [ 0.0004612800000000, -0.0000267500000000, 0.0001411600000000 ] - [ -0.0091992800000000, 0.0078114100000000, -0.0093586300000000 ] - [ 0.0002668000000000, 0.0001577300000000, -0.0004524200000000 ] - [ 0.0002123100000000, -0.0015696000000000, 0.0014430100000000 ] - [ 0.0005720000000000, -0.0005951500000000, 0.0003927200000000 ] - [ 0.0005823400000000, 0.0005729600000000, 0.0004347300000000 ] - [ 0.0000711800000000, 0.0000954200000000, 0.0000659000000000 ] - [ 0.0002755400000000, -0.0001562400000000, -0.0004927600000000 ] - [ 0.0000234000000000, 0.0003203400000000, -0.0016061900000000 ] - [ 0.0053198900000000, -0.0006480100000000, -0.0042422700000000 ] - [ 0.0822795500000000, -0.1253033800000000, -0.0784232200000000 ] - [ 0.0006372800000000, -0.0000239600000000, 0.0000553200000000 ] - [ -0.0002850000000000, -0.0001822800000000, -0.0003323300000000 ] - [ 0.0010480300000000, -0.0000925200000000, -0.0002838500000000 ] - [ 0.0001074600000000, -0.0002251500000000, -0.0002561900000000 ] - [ -0.0006490700000000, -0.0002935200000000, -0.0009885000000000 ] - [ -0.0001784900000000, -0.0004254700000000, 0.0009182400000000 ] - [ 0.0003562800000000, -0.0000043000000000, -0.0006137600000000 ] - [ 0.0004962800000000, 0.0000356200000000, 0.0001090200000000 ] - [ 0.0000856600000000, 0.0005549200000000, 0.0001166600000000 ] - [ 0.0006481100000000, -0.0001441600000000, -0.0007261400000000 ] - [ 0.0003728100000000, -0.0001945600000000, -0.0002435200000000 ] - [ -0.0039500300000000, 0.0006479100000000, 0.0006616100000000 ] - [ 0.0000455500000000, 0.0002857700000000, -0.0002952000000000 ] - [ 0.0000183200000000, -0.0001448400000000, 0.0002839800000000 ] - [ -0.0813682500000000, -0.0778646000000000, -0.0243165000000000 ] - [ 0.0002253100000000, 0.0002578800000000, -0.0006303300000000 ] - [ -0.0001103200000000, -0.0000625900000000, -0.0003801000000000 ] - [ 0.0004545200000000, 0.0000660800000000, -0.0003109100000000 ] - [ -0.0002057500000000, -0.0003894300000000, 0.0002626700000000 ] - [ -0.0003849500000000, -0.0004298300000000, 0.0011676700000000 ] - [ -0.0005525300000000, 0.0006955700000000, 0.0009305200000000 ] - [ 0.0008133200000000, 0.0000072200000000, 0.0001904700000000 ] - [ 0.0005342300000000, -0.0001073000000000, -0.0003622000000000 ] - [ 0.0064255500000000, -0.0005456500000000, 0.0007917500000000 ] - [ 0.0151216300000000, -0.0796026400000000, 0.0799908200000000 ] - [ 0.0001456100000000, 0.0002557300000000, -0.0000417400000000 ] - [ 0.0023837400000000, 0.0001673500000000, -0.0054060300000000 ] - [ 0.0000183200000000, 0.0001677700000000, -0.0003827700000000 ] - [ -0.0019328300000000, -0.0001192300000000, -0.0022419000000000 ] - [ 0.0004014000000000, 0.0009146600000000, -0.0001739900000000 ] - [ 0.0003776000000000, -0.0000754700000000, -0.0005450200000000 ] - [ -0.0000772300000000, -0.0001502600000000, -0.0000456000000000 ] - [ -0.0000147000000000, -0.0002310000000000, 0.0005640100000000 ] - [ 0.0005552200000000, -0.0000115100000000, 0.0000754500000000 ] - [ -0.0006139600000000, 0.0001614300000000, 0.0000816800000000 ] - [ 0.0003805200000000, -0.0004555700000000, -0.0001914400000000 ] - [ 0.0001361400000000, 0.0000007400000000, -0.0002153500000000 ] - [ -0.0008409600000000, 0.0002771200000000, 0.0011916800000000 ] - [ -0.0000417600000000, 0.0000638700000000, 0.0004800300000000 ] - [ -0.0007428300000000, -0.0018961600000000, -0.0019370800000000 ] - [ -0.0000511700000000, -0.0000590500000000, 0.0004773700000000 ] - [ -0.0007252500000000, 0.0021190100000000, -0.0000827200000000 ] - [ -0.0027874100000000, 0.0041183100000000, 0.0019702300000000 ] - [ 0.0002557400000000, 0.0000320000000000, -0.0004885400000000 ] - [ -0.0011455300000000, 0.0021019400000000, 0.0000294700000000 ] - [ 0.0005078200000000, 0.0000246300000000, 0.0001043100000000 ] - [ 0.0005998100000000, 0.0000338800000000, 0.0000602800000000 ] - [ 0.0003931400000000, 0.0003332100000000, -0.0001018100000000 ] - [ 0.0001370200000000, 0.0000050500000000, 0.0005548700000000 ] - [ -0.0008490300000000, -0.0000578800000000, -0.0004626900000000 ] - [ 0.0008744600000000, 0.0002164800000000, -0.0001216700000000 ] - [ 0.0004119500000000, -0.0002541000000000, -0.0007877700000000 ] - [ 0.0005439400000000, 0.0004689700000000, -0.0001562300000000 ] - [ 0.0004235200000000, 0.0001047700000000, -0.0000859300000000 ] - [ 0.0002714900000000, -0.0000632300000000, -0.0000187600000000 ] - [ -0.0016516400000000, 0.0067681100000000, -0.0011516500000000 ] - [ 0.0003256300000000, -0.0003788400000000, 0.0003227200000000 ] - [ 0.0006495500000000, -0.0002027500000000, -0.0001144800000000 ] - [ 0.0003545500000000, -0.0001344600000000, -0.0003023100000000 ] - [ 0.0003979700000000, 0.0004648400000000, -0.0002143400000000 ] - [ -0.0001737200000000, 0.0004304000000000, -0.0000098400000000 ] - [ 0.0007249900000000, 0.0002332700000000, -0.0002604500000000 ] - [ 0.0002419000000000, 0.0005313500000000, 0.0008249300000000 ] - [ 0.0000186100000000, -0.0004297600000000, 0.0001189000000000 ] - [ 0.0033844800000000, -0.0004326600000000, -0.0008000000000000 ] - [ -0.0001395500000000, -0.0000772100000000, -0.0002401900000000 ] - [ 0.0003805900000000, -0.0003374500000000, -0.0001044000000000 ] - [ 0.0002097300000000, -0.0005204800000000, 0.0008276200000000 ] - [ 0.0001582600000000, 0.0003392100000000, 0.0000035200000000 ] - [ 0.0011317800000000, 0.0004304000000000, -0.0003511300000000 ] - [ 0.0014800900000000, -0.0010285900000000, -0.0007058900000000 ] - [ 0.0006885500000000, -0.0004764000000000, -0.0001557300000000 ] - [ 0.0003333200000000, 0.0003809100000000, 0.0003184400000000 ] - [ 0.0001790800000000, 0.0000700900000000, 0.0000300400000000 ] - [ 0.0001488400000000, 0.0000099600000000, -0.0001677600000000 ] - [ -0.0002347900000000, -0.0000031300000000, 0.0000165100000000 ] - [ -0.0000253700000000, 0.0002185600000000, 0.0005492200000000 ]- atom: 20 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0003115600000000, 0.0000682200000000, -0.0004079300000000 ] - [ -0.0003883800000000, -0.0002603500000000, 0.0001661500000000 ] - [ 0.0002840500000000, -0.0001657300000000, -0.0001954500000000 ] - [ -0.0002812700000000, 0.0002566500000000, 0.0001695400000000 ] - [ 0.0002896800000000, 0.0001062000000000, -0.0002444500000000 ] - [ 0.0008356400000000, -0.0001755200000000, 0.0007736000000000 ] - [ -0.0002910100000000, -0.0001189600000000, -0.0003373600000000 ] - [ -0.0014802400000000, 0.0002260000000000, -0.0002799600000000 ] - [ 0.0012266500000000, 0.0001707600000000, -0.0015431500000000 ] - [ -0.0007367100000000, -0.0001709400000000, 0.0010493700000000 ] - [ -0.0000864400000000, 0.0002598800000000, 0.0001189900000000 ] - [ -0.0000275100000000, -0.0002453400000000, 0.0000798500000000 ] - [ -0.0000611300000000, 0.0001377200000000, -0.0005411900000000 ] - [ 0.0003260500000000, -0.0001577600000000, -0.0001611600000000 ] - [ 0.0040440500000000, -0.0010937400000000, 0.0123438400000000 ] - [ -0.0192967400000000, 0.0069781200000000, -0.0123799600000000 ] - [ 0.0000637700000000, -0.0000574000000000, 0.0000147300000000 ] - [ 0.0006422700000000, -0.0008077400000000, 0.0004051800000000 ] - [ 0.0006703800000000, 0.0008126800000000, 0.0004304900000000 ] - [ 0.0210435700000000, -0.0129075000000000, -0.3673556800000000 ] - [ 0.0004180500000000, 0.0000051100000000, 0.0002549900000000 ] - [ -0.0074438400000000, 0.0023313300000000, 0.0011305900000000 ] - [ -0.0012825000000000, -0.0005136800000000, -0.0026849000000000 ] - [ -0.0021451100000000, -0.0002613500000000, 0.0182920400000000 ] - [ 0.0004979200000000, 0.0000496000000000, -0.0005930800000000 ] - [ -0.0001134300000000, 0.0009078800000000, 0.0104304600000000 ] - [ -0.0186045100000000, 0.0088902900000000, 0.0473609600000000 ] - [ 0.0208573300000000, -0.0038722700000000, 0.0181201100000000 ] - [ 0.0014073300000000, -0.0003026600000000, 0.0022281800000000 ] - [ -0.0025663600000000, 0.0029182800000000, -0.0216689500000000 ] - [ -0.0000341600000000, 0.0000398400000000, -0.0001082600000000 ] - [ 0.0077695700000000, 0.0024685400000000, -0.0000209600000000 ] - [ -0.0027033500000000, 0.0003561900000000, 0.0031856200000000 ] - [ 0.0332275600000000, -0.0221801100000000, 0.0103718200000000 ] - [ -0.0076275300000000, 0.0016316500000000, 0.0186752800000000 ] - [ -0.0002554900000000, 0.0005818600000000, 0.0008181900000000 ] - [ 0.0008095800000000, 0.0000850000000000, 0.0017546000000000 ] - [ 0.0001572600000000, 0.0000500700000000, -0.0002224600000000 ] - [ 0.0003214500000000, -0.0001673700000000, -0.0003217100000000 ] - [ -0.0002561600000000, -0.0005830400000000, 0.0008474900000000 ] - [ -0.0003358800000000, 0.0002469500000000, -0.0025548600000000 ] - [ 0.0003834100000000, -0.0002100300000000, 0.0002305300000000 ] - [ 0.0000732100000000, 0.0003402400000000, -0.0000373800000000 ] - [ 0.0000550200000000, -0.0003481800000000, -0.0000170200000000 ] - [ 0.0001385000000000, -0.0000334700000000, 0.0001348900000000 ] - [ 0.0003662500000000, 0.0002255100000000, 0.0001375000000000 ] - [ 0.0044896000000000, 0.0002479100000000, -0.0047384300000000 ] - [ 0.0000023400000000, -0.0001119100000000, -0.0002419500000000 ] - [ -0.0004712300000000, 0.0001416900000000, -0.0003009900000000 ] - [ -0.0004812500000000, -0.0005673900000000, -0.0000001500000000 ] - [ -0.0003551600000000, -0.0003548600000000, -0.0008257100000000 ] - [ 0.0079165400000000, -0.0005098100000000, 0.0019506200000000 ] - [ 0.0020563500000000, -0.0001298600000000, -0.0046827400000000 ] - [ -0.0004150900000000, 0.0000044600000000, -0.0005464400000000 ] - [ 0.0076254500000000, -0.0073645100000000, -0.0083242800000000 ] - [ -0.0014627200000000, 0.0029191700000000, -0.0054507000000000 ] - [ 0.0002271600000000, 0.0000313900000000, 0.0001580300000000 ] - [ -0.0105496700000000, 0.0076882400000000, -0.0061986000000000 ] - [ -0.0000726800000000, 0.0000491200000000, -0.0004899300000000 ] - [ -0.0040969400000000, -0.0037385300000000, -0.0084825900000000 ] - [ 0.0003296500000000, -0.0006534300000000, 0.0004075200000000 ] - [ 0.0003148800000000, 0.0006594100000000, 0.0004004900000000 ] - [ -0.0001570100000000, -0.0000540900000000, -0.0005908400000000 ] - [ -0.0000485100000000, -0.0000569100000000, -0.0004863800000000 ] - [ 0.0019156600000000, 0.0001128300000000, 0.0017668000000000 ] - [ -0.0056848200000000, -0.0050167600000000, 0.0145054500000000 ] - [ -0.0661423700000000, 0.0846477900000000, 0.1004945500000000 ] - [ 0.0001581100000000, -0.0000316300000000, -0.0001076300000000 ] - [ -0.0005938700000000, -0.0001201000000000, -0.0003919900000000 ] - [ 0.0005736100000000, 0.0004724300000000, 0.0002802200000000 ] - [ -0.0005996700000000, 0.0001245900000000, -0.0000378200000000 ] - [ -0.0007981600000000, -0.0007616900000000, -0.0025572200000000 ] - [ -0.0012769500000000, 0.0004677000000000, -0.0014569100000000 ] - [ 0.0002364700000000, -0.0001271900000000, 0.0001447600000000 ] - [ 0.0002316400000000, -0.0000215200000000, 0.0001874700000000 ] - [ -0.0007226000000000, -0.0028157900000000, -0.0085236900000000 ] - [ 0.0024773100000000, -0.0008402500000000, -0.0003923800000000 ] - [ -0.0003392400000000, 0.0001084300000000, -0.0009551200000000 ] - [ -0.0060099600000000, -0.0014250500000000, 0.0027159100000000 ] - [ -0.0001291500000000, 0.0004045100000000, -0.0003102500000000 ] - [ -0.0017154500000000, -0.0005926700000000, -0.0002208500000000 ] - [ 0.0305098600000000, 0.0206257900000000, 0.0476537900000000 ] - [ 0.0011851100000000, 0.0000432400000000, -0.0009032900000000 ] - [ -0.0004494600000000, -0.0000490100000000, -0.0004334700000000 ] - [ 0.0001639400000000, -0.0000271200000000, -0.0003162000000000 ] - [ 0.0020120000000000, 0.0026985000000000, -0.0062697600000000 ] - [ -0.0005199600000000, 0.0000065500000000, -0.0043552800000000 ] - [ -0.0016650900000000, 0.0007823000000000, 0.0012747700000000 ] - [ 0.0000046100000000, 0.0000157200000000, -0.0000297600000000 ] - [ 0.0001985800000000, 0.0000727700000000, -0.0002006500000000 ] - [ -0.0003824300000000, -0.0017414400000000, 0.0020138500000000 ] - [ 0.0197395100000000, -0.0878708700000000, 0.1667999600000000 ] - [ 0.0000223000000000, -0.0001969700000000, 0.0008687100000000 ] - [ 0.0042678600000000, 0.0041184100000000, 0.0065836400000000 ] - [ -0.0001057800000000, 0.0001296800000000, -0.0005071500000000 ] - [ -0.0012498100000000, -0.0028183000000000, -0.0088390200000000 ] - [ -0.0013935500000000, 0.0003616300000000, 0.0005512100000000 ] - [ 0.0000755000000000, -0.0003000500000000, 0.0001035800000000 ] - [ -0.0001011800000000, -0.0001101400000000, -0.0001306900000000 ] - [ -0.0002472800000000, -0.0001355600000000, 0.0005816700000000 ] - [ 0.0001192400000000, 0.0002284000000000, 0.0002052600000000 ] - [ -0.0005065600000000, -0.0007571500000000, -0.0029581000000000 ] - [ -0.0000728400000000, -0.0002004400000000, -0.0000561900000000 ] - [ -0.0000668400000000, 0.0000697700000000, -0.0001805800000000 ] - [ 0.0028584400000000, 0.0000310800000000, -0.0059474100000000 ] - [ -0.0005498600000000, 0.0001913700000000, 0.0003469800000000 ] - [ 0.0028099500000000, 0.0005319500000000, -0.0027605100000000 ] - [ -0.0005480800000000, -0.0001934200000000, 0.0003462900000000 ] - [ -0.0043885300000000, -0.0005188500000000, -0.0039944800000000 ] - [ 0.0029540300000000, -0.0002086000000000, -0.0022064400000000 ] - [ 0.0001677000000000, 0.0000553700000000, -0.0003041600000000 ] - [ -0.0077732000000000, 0.0043468100000000, -0.0036394500000000 ] - [ 0.0001366900000000, -0.0001776500000000, 0.0000274800000000 ] - [ 0.0001241500000000, -0.0002308700000000, 0.0002198100000000 ] - [ 0.0001159300000000, 0.0004089700000000, -0.0000482900000000 ] - [ -0.0016575000000000, -0.0000687500000000, -0.0016721300000000 ] - [ 0.0002031800000000, 0.0000665600000000, -0.0009683600000000 ] - [ 0.0003062600000000, 0.0001025400000000, -0.0001346000000000 ] - [ -0.0001217500000000, -0.0001128000000000, 0.0001186400000000 ] - [ 0.0001146000000000, 0.0003233600000000, -0.0003341000000000 ] - [ 0.0001725400000000, 0.0001956300000000, -0.0000213100000000 ] - [ -0.0001201600000000, -0.0000328000000000, -0.0001390300000000 ] - [ -0.0032581700000000, 0.0024795000000000, 0.0101936400000000 ] - [ 0.0000185200000000, -0.0005165000000000, 0.0003543900000000 ] - [ 0.0002222500000000, -0.0000598200000000, -0.0002204300000000 ] - [ -0.0000857300000000, -0.0001828600000000, -0.0005804900000000 ] - [ -0.0000426100000000, 0.0002237400000000, -0.0000589900000000 ] - [ -0.0005886800000000, 0.0006291600000000, -0.0003802200000000 ] - [ 0.0003759500000000, 0.0001113800000000, -0.0002152800000000 ] - [ -0.0002009400000000, 0.0003408700000000, 0.0007683900000000 ] - [ -0.0002323300000000, -0.0004726900000000, 0.0001022400000000 ] - [ -0.0001750800000000, -0.0008688800000000, 0.0033309000000000 ] - [ 0.0011602300000000, 0.0001382000000000, -0.0009369600000000 ] - [ 0.0001229800000000, -0.0004008200000000, -0.0000591600000000 ] - [ -0.0002000200000000, -0.0003425400000000, 0.0007521800000000 ] - [ -0.0001838300000000, 0.0004476800000000, 0.0001801900000000 ] - [ 0.0025064700000000, -0.0000170000000000, 0.0012190200000000 ] - [ -0.0008749200000000, 0.0002224500000000, 0.0006615000000000 ] - [ 0.0001831600000000, -0.0003293300000000, -0.0002672400000000 ] - [ 0.0000226600000000, 0.0005086400000000, 0.0003735100000000 ] - [ -0.0002453700000000, 0.0001208500000000, 0.0000957000000000 ] - [ -0.0000803000000000, -0.0000585300000000, -0.0001324700000000 ] - [ -0.0005530800000000, -0.0000570100000000, -0.0006393600000000 ] - [ -0.0002448400000000, 0.0001307200000000, 0.0005663900000000 ]- atom: 20 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0002787500000000, 0.0001686300000000, -0.0001903900000000 ] - [ -0.0002995100000000, -0.0002586300000000, 0.0001652100000000 ] - [ -0.0003172200000000, -0.0000717600000000, -0.0004019200000000 ] - [ -0.0004065700000000, 0.0002617100000000, 0.0001622300000000 ] - [ -0.0003238800000000, 0.0001308100000000, -0.0003562500000000 ] - [ -0.0015203400000000, -0.0003443800000000, -0.0004476200000000 ] - [ 0.0002601400000000, -0.0001184500000000, -0.0002571800000000 ] - [ 0.0007952000000000, 0.0002912800000000, 0.0006203300000000 ] - [ -0.0010121200000000, 0.0001358100000000, 0.0008504500000000 ] - [ 0.0009421100000000, -0.0001305900000000, -0.0017510700000000 ] - [ -0.0001096100000000, 0.0002501000000000, 0.0000799000000000 ] - [ -0.0001680000000000, -0.0002643000000000, 0.0001190100000000 ] - [ 0.0002643500000000, 0.0001651300000000, -0.0001561100000000 ] - [ -0.0001122400000000, -0.0001450800000000, -0.0005401900000000 ] - [ -0.0041704400000000, 0.0016011800000000, -0.0121590300000000 ] - [ 0.0190740600000000, -0.0074330500000000, 0.0127322100000000 ] - [ -0.0000934100000000, -0.0000436600000000, -0.0001111900000000 ] - [ 0.0006104100000000, -0.0008081900000000, 0.0004218800000000 ] - [ 0.0005821000000000, 0.0008032300000000, 0.0003968600000000 ] - [ -0.0254834500000000, 0.0241599400000000, 0.3626463800000000 ] - [ 0.0003980100000000, -0.0000573800000000, -0.0005860100000000 ] - [ 0.0075468000000000, -0.0021609500000000, -0.0015964800000000 ] - [ 0.0016744800000000, 0.0003465700000000, 0.0024760400000000 ] - [ 0.0015927500000000, -0.0009015600000000, -0.0166569100000000 ] - [ 0.0003207000000000, 0.0000022000000000, 0.0002627000000000 ] - [ 0.0007923900000000, -0.0013259700000000, -0.0100715900000000 ] - [ 0.0185185900000000, -0.0082518800000000, -0.0469800200000000 ] - [ -0.0209271900000000, 0.0033140100000000, -0.0182468200000000 ] - [ -0.0010198000000000, 0.0004654300000000, -0.0024310000000000 ] - [ 0.0033023600000000, -0.0024642600000000, 0.0219433200000000 ] - [ 0.0000050500000000, 0.0000612400000000, 0.0000113700000000 ] - [ -0.0076804700000000, -0.0026503100000000, -0.0004231400000000 ] - [ 0.0026905700000000, -0.0004550200000000, -0.0032690900000000 ] - [ -0.0320217700000000, 0.0204708900000000, -0.0096606100000000 ] - [ 0.0089433300000000, -0.0000354600000000, -0.0178133900000000 ] - [ -0.0003237100000000, 0.0005666700000000, 0.0008466300000000 ] - [ 0.0000244000000000, -0.0001348300000000, -0.0020880100000000 ] - [ -0.0000572700000000, 0.0001200100000000, -0.0002459900000000 ] - [ 0.0000659700000000, 0.0000031900000000, 0.0001148700000000 ] - [ -0.0003229000000000, -0.0005655400000000, 0.0008173000000000 ] - [ 0.0011363500000000, -0.0001958000000000, 0.0022282200000000 ] - [ 0.0003017800000000, -0.0002262400000000, 0.0001496300000000 ] - [ -0.0000126900000000, 0.0003498200000000, -0.0000046900000000 ] - [ 0.0000054400000000, -0.0003420700000000, -0.0000238300000000 ] - [ 0.0002553600000000, 0.0001948100000000, -0.0003341500000000 ] - [ 0.0003174600000000, 0.0002109200000000, 0.0002416000000000 ] - [ -0.0045474300000000, -0.0001423400000000, 0.0046026000000000 ] - [ 0.0000959200000000, -0.0000586000000000, -0.0002233600000000 ] - [ -0.0005710200000000, 0.0001267500000000, -0.0003934300000000 ] - [ -0.0000842900000000, -0.0003688600000000, -0.0003220500000000 ] - [ 0.0000285200000000, 0.0001199300000000, 0.0007843000000000 ] - [ -0.0084535500000000, 0.0003616900000000, -0.0004919300000000 ] - [ -0.0017707900000000, 0.0005681300000000, 0.0050841500000000 ] - [ -0.0004234600000000, 0.0000509900000000, -0.0004256300000000 ] - [ -0.0077519900000000, 0.0069483200000000, 0.0082514500000000 ] - [ 0.0013478600000000, -0.0028178200000000, 0.0051567800000000 ] - [ 0.0002544900000000, 0.0000160700000000, 0.0001815500000000 ] - [ 0.0096367800000000, -0.0073527200000000, 0.0067563100000000 ] - [ -0.0000185400000000, 0.0000675400000000, -0.0004843500000000 ] - [ 0.0030357900000000, 0.0033638800000000, 0.0091725500000000 ] - [ 0.0003380000000000, -0.0006505700000000, 0.0004027800000000 ] - [ 0.0003529600000000, 0.0006450700000000, 0.0004096700000000 ] - [ 0.0002261200000000, 0.0001400700000000, 0.0001555200000000 ] - [ -0.0000427000000000, -0.0000599000000000, -0.0004875600000000 ] - [ -0.0015749000000000, -0.0004728100000000, -0.0017500800000000 ] - [ 0.0059788200000000, 0.0045567500000000, -0.0141058300000000 ] - [ 0.0695516800000000, -0.0879363300000000, -0.1029886000000000 ] - [ 0.0000637500000000, -0.0000153000000000, -0.0000118500000000 ] - [ -0.0004480700000000, -0.0001483600000000, -0.0003032000000000 ] - [ -0.0002896000000000, -0.0001834100000000, -0.0009838600000000 ] - [ -0.0000713600000000, -0.0001554100000000, -0.0005115600000000 ] - [ 0.0011379600000000, 0.0014268300000000, 0.0019694000000000 ] - [ 0.0016172200000000, -0.0001069100000000, 0.0014598300000000 ] - [ -0.0001686800000000, 0.0000409500000000, -0.0005764000000000 ] - [ 0.0002497000000000, -0.0000258300000000, 0.0001525400000000 ] - [ 0.0007723700000000, 0.0018009800000000, 0.0092730800000000 ] - [ -0.0018514100000000, 0.0006611300000000, -0.0000387100000000 ] - [ 0.0006264500000000, -0.0003953100000000, 0.0002506600000000 ] - [ 0.0059174200000000, 0.0018705500000000, -0.0028615200000000 ] - [ -0.0004356300000000, 0.0005310100000000, -0.0000116100000000 ] - [ 0.0023451100000000, 0.0007735100000000, -0.0002142900000000 ] - [ -0.0310666400000000, -0.0200970200000000, -0.0464145100000000 ] - [ -0.0015806900000000, -0.0009620700000000, 0.0011842800000000 ] - [ -0.0003893300000000, -0.0000063800000000, -0.0005385700000000 ] - [ 0.0002254500000000, -0.0000592900000000, -0.0002085500000000 ] - [ -0.0017666100000000, -0.0034976700000000, 0.0061577300000000 ] - [ 0.0001332000000000, -0.0006974200000000, 0.0058809500000000 ] - [ 0.0012742400000000, 0.0001326300000000, -0.0010015200000000 ] - [ 0.0002167500000000, 0.0000316000000000, -0.0000907600000000 ] - [ 0.0001901700000000, 0.0000139200000000, -0.0003244200000000 ] - [ 0.0006726200000000, 0.0010831200000000, -0.0026057200000000 ] - [ -0.0186089700000000, 0.0828438300000000, -0.1575671100000000 ] - [ -0.0003507300000000, 0.0004309200000000, -0.0009100200000000 ] - [ -0.0043800100000000, -0.0042038100000000, -0.0068505800000000 ] - [ -0.0005651600000000, -0.0000982000000000, -0.0000417100000000 ] - [ 0.0007708200000000, 0.0030785000000000, 0.0099976100000000 ] - [ 0.0003583700000000, -0.0000868300000000, -0.0012402900000000 ] - [ -0.0006354700000000, -0.0006323100000000, -0.0004289100000000 ] - [ -0.0002275300000000, -0.0001247000000000, 0.0000883500000000 ] - [ -0.0002251700000000, -0.0001379600000000, 0.0005641500000000 ] - [ 0.0001647100000000, 0.0002083600000000, 0.0002061600000000 ] - [ -0.0003426000000000, 0.0008097000000000, 0.0019801100000000 ] - [ -0.0000042700000000, -0.0002451100000000, -0.0000700900000000 ] - [ -0.0000614400000000, 0.0000514100000000, -0.0001347400000000 ] - [ -0.0023753300000000, 0.0000134500000000, 0.0062610800000000 ] - [ -0.0005031700000000, 0.0001815900000000, 0.0003584600000000 ] - [ -0.0029257400000000, -0.0004251700000000, 0.0017580800000000 ] - [ -0.0005044100000000, -0.0001790800000000, 0.0003595800000000 ] - [ 0.0050606800000000, -0.0007176700000000, 0.0048393700000000 ] - [ -0.0022874300000000, 0.0015181800000000, 0.0029627400000000 ] - [ -0.0000989900000000, 0.0000308500000000, -0.0001331100000000 ] - [ 0.0077217900000000, -0.0045105800000000, 0.0027196700000000 ] - [ 0.0002018600000000, -0.0001794800000000, -0.0000171800000000 ] - [ 0.0001603300000000, -0.0002056600000000, 0.0001917000000000 ] - [ 0.0001470600000000, 0.0003934000000000, -0.0000650700000000 ] - [ 0.0018638800000000, 0.0000209800000000, 0.0015545200000000 ] - [ -0.0012510700000000, -0.0003341000000000, 0.0002719900000000 ] - [ -0.0000154100000000, 0.0001850700000000, -0.0005682100000000 ] - [ -0.0005442400000000, 0.0000789200000000, -0.0006724100000000 ] - [ 0.0002206200000000, 0.0003420800000000, -0.0002569300000000 ] - [ 0.0001647900000000, 0.0001636400000000, 0.0000290600000000 ] - [ 0.0001881500000000, -0.0000534800000000, -0.0002910100000000 ] - [ 0.0037674700000000, -0.0024838800000000, -0.0098256800000000 ] - [ 0.0000493900000000, -0.0004970100000000, 0.0003699600000000 ] - [ 0.0004058500000000, -0.0001202200000000, -0.0002100500000000 ] - [ 0.0003681800000000, -0.0001038400000000, -0.0001257600000000 ] - [ -0.0000337200000000, 0.0002219700000000, -0.0000682500000000 ] - [ 0.0000192400000000, 0.0003089200000000, 0.0000606600000000 ] - [ 0.0002535800000000, 0.0000692600000000, -0.0002173400000000 ] - [ -0.0001619000000000, 0.0003593300000000, 0.0007586200000000 ] - [ -0.0001617000000000, -0.0004448500000000, 0.0001749700000000 ] - [ -0.0006344300000000, 0.0008096100000000, -0.0042940300000000 ] - [ -0.0007770600000000, -0.0002261200000000, 0.0004122800000000 ] - [ 0.0001399900000000, -0.0004016600000000, -0.0000540600000000 ] - [ -0.0001626600000000, -0.0003578100000000, 0.0007744300000000 ] - [ -0.0002084200000000, 0.0004685300000000, 0.0000955400000000 ] - [ -0.0022714600000000, 0.0000670400000000, -0.0013432800000000 ] - [ 0.0012719600000000, -0.0001431400000000, -0.0011849400000000 ] - [ 0.0001543600000000, -0.0003363400000000, -0.0003231400000000 ] - [ 0.0000452400000000, 0.0005048000000000, 0.0003508100000000 ] - [ -0.0000810400000000, 0.0001134100000000, -0.0001366900000000 ] - [ -0.0000478000000000, -0.0000624100000000, -0.0001818300000000 ] - [ -0.0001223200000000, 0.0000859400000000, 0.0000939700000000 ] - [ -0.0002276600000000, 0.0001424800000000, 0.0005788600000000 ]- atom: 21 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0037055000000000, 0.0006697000000000, -0.0092700400000000 ] - [ -0.0120789500000000, 0.0026565200000000, 0.0039908900000000 ] - [ -0.0081016800000000, 0.0001997100000000, 0.0024506900000000 ] - [ -0.0036530000000000, 0.0004507700000000, -0.0028460100000000 ] - [ 0.0015749700000000, 0.0000963000000000, -0.0002637900000000 ] - [ 0.0009254300000000, -0.0001681600000000, 0.0003719000000000 ] - [ 0.0015790700000000, -0.0000939300000000, -0.0002711500000000 ] - [ 0.0009291400000000, 0.0001667900000000, 0.0003853200000000 ] - [ -0.0093948500000000, 0.0010195400000000, 0.0038220200000000 ] - [ 0.0168942900000000, 0.0042204200000000, -0.0125508800000000 ] - [ 0.0309231800000000, -0.0045613700000000, 0.0053513500000000 ] - [ -0.0040229400000000, -0.0000561900000000, -0.0023752700000000 ] - [ 0.0051986600000000, 0.0005110800000000, -0.0002373600000000 ] - [ 0.0053216800000000, -0.0005479300000000, -0.0001806600000000 ] - [ 0.0053590000000000, -0.0000206300000000, 0.0000355200000000 ] - [ 0.0052030600000000, 0.0000257300000000, 0.0002301900000000 ] - [ -0.0028272100000000, 0.0020499300000000, -0.0244495500000000 ] - [ 0.0030020900000000, -0.0012860500000000, 0.0062053700000000 ] - [ 0.0036188700000000, 0.0003842500000000, -0.0063869800000000 ] - [ 0.0035659200000000, 0.0014209400000000, 0.0008980700000000 ] - [ -0.3620109300000000, -0.0131249400000000, 0.0255284200000000 ] - [ 0.0079660100000000, -0.0007103100000000, -0.0056081700000000 ] - [ -0.0036535300000000, -0.0028504200000000, -0.0072928300000000 ] - [ 0.0045691200000000, -0.0018635800000000, 0.0009907200000000 ] - [ -0.0168622400000000, 0.0019807300000000, -0.0003773100000000 ] - [ 0.0070880200000000, 0.0001166600000000, 0.0004741800000000 ] - [ 0.0045205800000000, 0.0000696000000000, -0.0019082700000000 ] - [ 0.0043371500000000, -0.0003477100000000, 0.0001330300000000 ] - [ 0.0215934500000000, -0.0160807100000000, 0.0260729100000000 ] - [ 0.0025307400000000, 0.0003084700000000, -0.0015101000000000 ] - [ -0.0077511000000000, -0.0010690100000000, 0.0088497000000000 ] - [ 0.0006677300000000, -0.0001805000000000, 0.0048616200000000 ] - [ 0.0038957200000000, 0.0002064300000000, 0.0002355800000000 ] - [ 0.0043683200000000, -0.0011170700000000, 0.0007539800000000 ] - [ 0.0045418800000000, 0.0011405900000000, 0.0010517000000000 ] - [ 0.0017887700000000, 0.0006138900000000, 0.0012578300000000 ] - [ 0.0069192400000000, 0.0008113300000000, -0.0004549500000000 ] - [ 0.0044330500000000, -0.0005244000000000, 0.0000148800000000 ] - [ 0.0042811300000000, 0.0010959400000000, 0.0006796900000000 ] - [ 0.0062150000000000, -0.0022809800000000, 0.0001878300000000 ] - [ 0.0068569900000000, -0.0008052200000000, -0.0004343800000000 ] - [ 0.0051042600000000, -0.0001708900000000, -0.0008675700000000 ] - [ 0.0051291000000000, 0.0007547200000000, 0.0005287700000000 ] - [ 0.0038991300000000, 0.0000758700000000, -0.0021687600000000 ] - [ 0.0043415800000000, -0.0010726600000000, 0.0005821500000000 ] - [ 0.0043655900000000, -0.0000162900000000, -0.0001269700000000 ] - [ 0.0038213200000000, -0.0001976600000000, 0.0002082400000000 ] - [ 0.0042432900000000, 0.0004706500000000, -0.0004406800000000 ] - [ 0.0055433600000000, 0.0018580200000000, -0.0013105800000000 ] - [ 0.0065766800000000, 0.0034079300000000, -0.0019089700000000 ] - [ -0.0031713500000000, 0.0023345800000000, -0.0047614600000000 ] - [ -0.0013722900000000, 0.0001219400000000, 0.0011485000000000 ] - [ -0.0032779400000000, 0.0020497200000000, 0.0013010500000000 ] - [ 0.0004226800000000, 0.0079889100000000, 0.0135517500000000 ] - [ -0.0030831300000000, 0.0014824300000000, 0.0013123600000000 ] - [ -0.0015450000000000, 0.0007021700000000, -0.0010671600000000 ] - [ -0.0050675700000000, 0.0000599400000000, 0.0077589200000000 ] - [ -0.0034175800000000, 0.0010065100000000, -0.0005588800000000 ] - [ 0.0002312300000000, 0.0011782300000000, 0.0026313500000000 ] - [ -0.0034398800000000, -0.0008744000000000, -0.0002582700000000 ] - [ -0.0004248800000000, -0.0018871000000000, -0.0034229600000000 ] - [ 0.0005316000000000, -0.0012983400000000, 0.0039838500000000 ] - [ 0.0042084500000000, 0.0012286000000000, -0.0115722600000000 ] - [ -0.0013623600000000, 0.0021383900000000, -0.0057283800000000 ] - [ -0.0000285000000000, 0.0016167000000000, 0.0038482700000000 ] - [ -0.0017244900000000, -0.0013161000000000, 0.0007826000000000 ] - [ -0.0013059600000000, 0.0007888200000000, 0.0001697100000000 ] - [ 0.1512969200000000, 0.0363503300000000, 0.0924476900000000 ] - [ 0.0100406600000000, -0.0062970700000000, -0.0015572900000000 ] - [ 0.0069786700000000, 0.0009147500000000, 0.0033557800000000 ] - [ 0.0065778700000000, -0.0027476300000000, -0.0005160000000000 ] - [ -0.0054518500000000, -0.0007911600000000, -0.0011264400000000 ] - [ -0.0034348400000000, 0.0046207400000000, -0.0053026600000000 ] - [ 0.0004004800000000, -0.0001768100000000, 0.0051776000000000 ] - [ 0.0021886500000000, 0.0003383300000000, -0.0030349700000000 ] - [ -0.0018341900000000, -0.0012907600000000, 0.0004775000000000 ] - [ -0.0038729900000000, 0.0006277900000000, 0.0027704100000000 ] - [ 0.0034275400000000, 0.0096100800000000, -0.0116427600000000 ] - [ -0.0021181800000000, -0.0008645200000000, 0.0002453900000000 ] - [ 0.0959162200000000, -0.0875589400000000, -0.0629894000000000 ] - [ 0.0009087900000000, 0.0001796400000000, -0.0030102400000000 ] - [ -0.0025018800000000, -0.0006492800000000, 0.0003998200000000 ] - [ -0.0051915900000000, -0.0019753000000000, 0.0029859000000000 ] - [ 0.0031176100000000, 0.0001307900000000, 0.0003960000000000 ] - [ 0.0099394500000000, 0.0024453500000000, 0.0010031900000000 ] - [ -0.0015189100000000, -0.0008079100000000, 0.0002706100000000 ] - [ -0.0027941300000000, 0.0007790500000000, 0.0003672000000000 ] - [ 0.0010638700000000, -0.0009303800000000, -0.0014211900000000 ] - [ 0.0083003400000000, -0.0002412600000000, 0.0044058200000000 ] - [ 0.0055164400000000, -0.0018727500000000, -0.0025723900000000 ] - [ 0.0004093500000000, 0.0003522200000000, -0.0009889300000000 ] - [ -0.0016739200000000, 0.0012583800000000, 0.0007432800000000 ] - [ 0.0018557400000000, -0.0005794700000000, 0.0017939400000000 ] - [ -0.0011290000000000, -0.0001963000000000, 0.0011905200000000 ] - [ 0.0601872700000000, 0.0526641700000000, -0.0455494000000000 ] - [ -0.0017263900000000, -0.0006954300000000, 0.0001685300000000 ] - [ -0.0021186300000000, -0.0001657200000000, -0.0002765400000000 ] - [ -0.0026234200000000, -0.0017418900000000, 0.0003700700000000 ] - [ -0.0014431200000000, -0.0001354600000000, -0.0000857200000000 ] - [ -0.0014433100000000, 0.0005424600000000, -0.0002425100000000 ] - [ -0.0029636400000000, 0.0020154500000000, 0.0011551500000000 ] - [ -0.0021701900000000, -0.0002050600000000, -0.0011114900000000 ] - [ -0.0028471700000000, 0.0011794200000000, 0.0006492300000000 ] - [ -0.0013536000000000, 0.0003770600000000, 0.0002579300000000 ] - [ -0.0012200300000000, 0.0003682700000000, 0.0004171500000000 ] - [ -0.0021437800000000, 0.0010496200000000, 0.0006135100000000 ] - [ -0.0019865200000000, -0.0005673800000000, -0.0006158100000000 ] - [ -0.0054775100000000, -0.0007912900000000, -0.0018723600000000 ] - [ -0.0011258400000000, -0.0010380200000000, 0.0004146500000000 ] - [ -0.0011455800000000, 0.0010865600000000, 0.0003002600000000 ] - [ -0.0013433400000000, 0.0000186400000000, 0.0000216500000000 ] - [ -0.0019466900000000, 0.0005169900000000, -0.0005336600000000 ] - [ -0.0016207300000000, -0.0010339400000000, -0.0001778800000000 ] - [ -0.0019387800000000, -0.0012636200000000, 0.0009287100000000 ] - [ -0.0005405100000000, 0.0003893400000000, 0.0006370000000000 ] - [ -0.0035830500000000, -0.0000592600000000, -0.0011178400000000 ] - [ -0.0021376900000000, 0.0001716900000000, -0.0002756600000000 ] - [ -0.0028451200000000, -0.0000117300000000, -0.0012661800000000 ] - [ -0.0027909500000000, 0.0010008000000000, 0.0000455500000000 ] - [ -0.0026914100000000, -0.0005575500000000, -0.0011678000000000 ] - [ -0.0016378200000000, 0.0010159800000000, 0.0001079100000000 ] - [ -0.0013268600000000, -0.0000060000000000, -0.0000275200000000 ] - [ -0.0011875300000000, -0.0003459100000000, 0.0004652200000000 ] - [ -0.0019469500000000, -0.0007606700000000, 0.0018515900000000 ] - [ -0.0019581600000000, 0.0006836900000000, -0.0004244400000000 ] - [ -0.0028818800000000, -0.0000053800000000, -0.0012513500000000 ] - [ -0.0024833100000000, -0.0012486200000000, 0.0009621100000000 ] - [ -0.0026442200000000, 0.0017536000000000, 0.0003754100000000 ] - [ -0.0019061100000000, -0.0006811500000000, -0.0003499400000000 ] - [ -0.0002071100000000, 0.0000182000000000, 0.0000202300000000 ] - [ -0.0019451600000000, -0.0008813600000000, 0.0005727900000000 ] - [ -0.0021279900000000, 0.0002020000000000, -0.0011139800000000 ] - [ -0.0016537100000000, -0.0008291300000000, 0.0001748100000000 ] - [ -0.0026790300000000, -0.0017461800000000, -0.0000686500000000 ] - [ -0.0044669000000000, 0.0018551100000000, 0.0017862100000000 ] - [ -0.0019153400000000, 0.0009359000000000, 0.0006448600000000 ] - [ -0.0035531000000000, 0.0000614400000000, -0.0011283500000000 ] - [ -0.0016290400000000, 0.0008166900000000, 0.0001666500000000 ] - [ -0.0024062000000000, 0.0004797200000000, -0.0011144000000000 ] - [ -0.0014338600000000, 0.0016524500000000, -0.0004425700000000 ] - [ -0.0014285100000000, 0.0001475400000000, -0.0001042800000000 ] - [ -0.0012752500000000, -0.0005395800000000, -0.0001752800000000 ] - [ -0.0028139100000000, -0.0010119100000000, 0.0000553200000000 ] - [ -0.0016731100000000, -0.0002653400000000, 0.0014324500000000 ]- atom: 21 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0036197900000000, -0.0004312700000000, 0.0086572900000000 ] - [ 0.0114350500000000, -0.0031815600000000, -0.0036674300000000 ] - [ 0.0080335600000000, -0.0004307300000000, -0.0030388500000000 ] - [ 0.0029663000000000, 0.0000682900000000, 0.0031706600000000 ] - [ -0.0016011000000000, 0.0001402100000000, -0.0003336600000000 ] - [ -0.0016078700000000, -0.0003502400000000, -0.0000391800000000 ] - [ -0.0016051900000000, -0.0001432100000000, -0.0003263600000000 ] - [ -0.0016112000000000, 0.0003513800000000, -0.0000526100000000 ] - [ 0.0095731100000000, -0.0007110200000000, -0.0044850700000000 ] - [ -0.0167433000000000, -0.0044275200000000, 0.0117116700000000 ] - [ -0.0313001600000000, 0.0050781300000000, -0.0052723900000000 ] - [ 0.0038483900000000, -0.0004580600000000, 0.0025923900000000 ] - [ -0.0049675600000000, -0.0002072700000000, -0.0004612200000000 ] - [ -0.0050910200000000, 0.0002436300000000, -0.0005187900000000 ] - [ -0.0055317400000000, 0.0005287500000000, 0.0001638100000000 ] - [ -0.0053759600000000, -0.0005343100000000, -0.0000300600000000 ] - [ 0.0029038800000000, -0.0020999200000000, 0.0245256800000000 ] - [ -0.0017452700000000, -0.0003279700000000, -0.0053832100000000 ] - [ -0.0023696800000000, 0.0012504600000000, 0.0072635900000000 ] - [ -0.0041319300000000, -0.0002681300000000, 0.0007668000000000 ] - [ 0.3684816200000000, 0.0170283300000000, -0.0173713400000000 ] - [ -0.0078152100000000, 0.0008910700000000, 0.0051052800000000 ] - [ 0.0040394600000000, 0.0026862700000000, 0.0070827200000000 ] - [ -0.0051331100000000, 0.0007101800000000, 0.0006726500000000 ] - [ 0.0176453600000000, -0.0019320200000000, 0.0000948400000000 ] - [ -0.0063740500000000, -0.0005496600000000, -0.0001005900000000 ] - [ -0.0044414600000000, 0.0006156600000000, 0.0018583500000000 ] - [ -0.0042579700000000, -0.0003382100000000, -0.0001750700000000 ] - [ -0.0208346600000000, 0.0161053400000000, -0.0259985300000000 ] - [ -0.0018368400000000, 0.0001242100000000, 0.0018855200000000 ] - [ 0.0077299800000000, 0.0011558200000000, -0.0088585300000000 ] - [ -0.0005500700000000, 0.0000053000000000, -0.0052900700000000 ] - [ -0.0039127800000000, -0.0003061600000000, -0.0003290800000000 ] - [ -0.0031028500000000, -0.0005008000000000, 0.0000747100000000 ] - [ -0.0032760400000000, 0.0004769900000000, -0.0002225000000000 ] - [ -0.0023492800000000, 0.0005435400000000, 0.0004141900000000 ] - [ -0.0060740200000000, -0.0008590400000000, 0.0001264100000000 ] - [ -0.0043108100000000, 0.0006928900000000, -0.0004813100000000 ] - [ -0.0038692800000000, -0.0012533100000000, -0.0008791200000000 ] - [ -0.0067851500000000, 0.0011251900000000, 0.0014704100000000 ] - [ -0.0060118400000000, 0.0008528900000000, 0.0001062300000000 ] - [ -0.0044025400000000, -0.0002605700000000, 0.0012445100000000 ] - [ -0.0050502600000000, -0.0000707000000000, -0.0005798400000000 ] - [ -0.0038236200000000, -0.0007623500000000, 0.0021267000000000 ] - [ -0.0039298200000000, 0.0012295200000000, -0.0007812600000000 ] - [ -0.0036603400000000, 0.0004484700000000, 0.0005043100000000 ] - [ -0.0038386400000000, 0.0002973900000000, -0.0003019600000000 ] - [ -0.0041226400000000, -0.0006401600000000, -0.0000240300000000 ] - [ -0.0065785600000000, -0.0015696500000000, 0.0005881700000000 ] - [ -0.0071116100000000, -0.0043194900000000, 0.0015656900000000 ] - [ 0.0027919500000000, -0.0025583200000000, 0.0046874500000000 ] - [ 0.0008949300000000, -0.0003922900000000, -0.0000027500000000 ] - [ 0.0035544000000000, -0.0016081100000000, -0.0008869100000000 ] - [ -0.0014280400000000, -0.0079516200000000, -0.0147174200000000 ] - [ 0.0029912700000000, -0.0019193900000000, -0.0014303200000000 ] - [ 0.0014096400000000, -0.0005832900000000, 0.0007551700000000 ] - [ 0.0056062000000000, -0.0000112300000000, -0.0074923800000000 ] - [ 0.0023546400000000, -0.0006317700000000, 0.0012616600000000 ] - [ -0.0003361800000000, -0.0010724000000000, -0.0036105800000000 ] - [ 0.0023768400000000, 0.0005004600000000, 0.0009623100000000 ] - [ 0.0010758400000000, 0.0005797600000000, 0.0042339700000000 ] - [ 0.0001344600000000, 0.0026065000000000, -0.0031846700000000 ] - [ -0.0041523300000000, -0.0011270900000000, 0.0110901800000000 ] - [ 0.0012705300000000, -0.0022649800000000, 0.0047692100000000 ] - [ 0.0003678900000000, -0.0019686400000000, -0.0038242100000000 ] - [ 0.0020033800000000, 0.0008763700000000, -0.0003709900000000 ] - [ 0.0015640300000000, 0.0000138800000000, -0.0002845500000000 ] - [ -0.1583262900000000, -0.0386251100000000, -0.0984299900000000 ] - [ -0.0110121200000000, 0.0060126200000000, 0.0009060400000000 ] - [ -0.0066879800000000, -0.0006309500000000, -0.0040638100000000 ] - [ -0.0072259600000000, 0.0026995300000000, -0.0000471000000000 ] - [ 0.0057747000000000, 0.0014487400000000, 0.0005378600000000 ] - [ 0.0037475900000000, -0.0042295700000000, 0.0052772000000000 ] - [ -0.0003235900000000, 0.0000969400000000, -0.0055932700000000 ] - [ -0.0017107500000000, -0.0003871500000000, 0.0033686000000000 ] - [ 0.0018946600000000, 0.0002744800000000, 0.0002488700000000 ] - [ 0.0044832900000000, -0.0008210400000000, -0.0031876800000000 ] - [ -0.0025065300000000, -0.0095156700000000, 0.0110182800000000 ] - [ 0.0020296700000000, 0.0013028300000000, -0.0003687100000000 ] - [ -0.0954629500000000, 0.0855476500000000, 0.0606503600000000 ] - [ -0.0002890000000000, -0.0000040100000000, 0.0025604500000000 ] - [ 0.0021312400000000, 0.0013459400000000, 0.0011271700000000 ] - [ 0.0047621200000000, 0.0010622600000000, -0.0026818300000000 ] - [ -0.0039569600000000, -0.0001719700000000, -0.0014052900000000 ] - [ -0.0096010600000000, -0.0026480800000000, -0.0014571600000000 ] - [ 0.0017766900000000, 0.0000051500000000, -0.0003851600000000 ] - [ 0.0024232900000000, -0.0014759100000000, 0.0011597500000000 ] - [ -0.0014540100000000, 0.0018430800000000, 0.0016855400000000 ] - [ -0.0080861400000000, 0.0002922400000000, -0.0045341300000000 ] - [ -0.0051127800000000, 0.0019395400000000, 0.0020153400000000 ] - [ -0.0000746000000000, -0.0010141900000000, 0.0003916200000000 ] - [ 0.0017349900000000, -0.0002419300000000, -0.0000172900000000 ] - [ -0.0021789100000000, 0.0008187800000000, -0.0018404600000000 ] - [ 0.0009969700000000, 0.0000767400000000, -0.0014976900000000 ] - [ -0.0609232000000000, -0.0517204800000000, 0.0442973600000000 ] - [ 0.0012472800000000, 0.0009634100000000, 0.0009733300000000 ] - [ 0.0010721600000000, 0.0004356700000000, -0.0004163800000000 ] - [ 0.0020487700000000, 0.0008022900000000, -0.0006911700000000 ] - [ 0.0011095300000000, -0.0000995100000000, 0.0000449300000000 ] - [ 0.0009636000000000, -0.0008113600000000, 0.0013860900000000 ] - [ 0.0032410900000000, -0.0015756500000000, -0.0007416600000000 ] - [ 0.0013246300000000, 0.0002592900000000, 0.0001346000000000 ] - [ 0.0027564000000000, -0.0016162800000000, -0.0007684800000000 ] - [ 0.0012209900000000, -0.0002567700000000, -0.0005690900000000 ] - [ 0.0016971900000000, -0.0003205600000000, -0.0000772300000000 ] - [ 0.0010823600000000, -0.0006769800000000, 0.0000856900000000 ] - [ 0.0018898300000000, 0.0006823900000000, -0.0003592100000000 ] - [ 0.0044201700000000, 0.0004161400000000, 0.0025808400000000 ] - [ 0.0017892800000000, -0.0002663000000000, 0.0003960400000000 ] - [ 0.0018091200000000, 0.0002180200000000, 0.0005096900000000 ] - [ 0.0014036600000000, 0.0000673900000000, -0.0004539000000000 ] - [ 0.0018501400000000, -0.0006324600000000, -0.0004407100000000 ] - [ 0.0019509200000000, 0.0006715900000000, 0.0001860200000000 ] - [ 0.0022128000000000, 0.0008210700000000, -0.0005158200000000 ] - [ 0.0007996600000000, 0.0004111000000000, -0.0007570700000000 ] - [ 0.0037869700000000, 0.0000106500000000, 0.0009907600000000 ] - [ 0.0010910300000000, -0.0004418900000000, -0.0004179400000000 ] - [ 0.0031166000000000, 0.0002968000000000, 0.0005564300000000 ] - [ 0.0021081200000000, -0.0010291000000000, -0.0005954500000000 ] - [ 0.0030149500000000, 0.0012182300000000, 0.0005728400000000 ] - [ 0.0019683800000000, -0.0006532400000000, -0.0001003200000000 ] - [ 0.0013868600000000, -0.0000797900000000, -0.0004040100000000 ] - [ 0.0016649900000000, 0.0002984200000000, -0.0001250500000000 ] - [ 0.0020127900000000, -0.0002520500000000, -0.0011235700000000 ] - [ 0.0025752300000000, -0.0008590000000000, -0.0000089600000000 ] - [ 0.0031533900000000, -0.0002800100000000, 0.0005417300000000 ] - [ 0.0023954800000000, 0.0016876600000000, -0.0010852600000000 ] - [ 0.0020696000000000, -0.0008141300000000, -0.0006964000000000 ] - [ 0.0025237800000000, 0.0008568300000000, -0.0000839400000000 ] - [ -0.0001691100000000, 0.0006759500000000, 0.0015010200000000 ] - [ 0.0015438600000000, -0.0000386200000000, -0.0002922700000000 ] - [ 0.0012824000000000, -0.0002560100000000, 0.0001371200000000 ] - [ 0.0020365700000000, 0.0007404000000000, -0.0006978000000000 ] - [ 0.0029393000000000, 0.0009439200000000, -0.0000412000000000 ] - [ 0.0040999500000000, -0.0025552600000000, -0.0002561300000000 ] - [ 0.0015142400000000, -0.0000163000000000, -0.0003651700000000 ] - [ 0.0037577600000000, -0.0000122400000000, 0.0010005500000000 ] - [ 0.0020117300000000, -0.0007279900000000, -0.0006900500000000 ] - [ 0.0027288300000000, -0.0011398600000000, 0.0005189600000000 ] - [ 0.0014903900000000, -0.0006322900000000, 0.0011648600000000 ] - [ 0.0010941300000000, 0.0000879800000000, 0.0000630100000000 ] - [ 0.0011417100000000, 0.0004188100000000, -0.0001358200000000 ] - [ 0.0021310500000000, 0.0010402100000000, -0.0006051100000000 ] - [ 0.0011965600000000, 0.0005345900000000, -0.0002898900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001688900000000, -0.0059270200000000, -0.0008479600000000 ] - [ 0.0004909900000000, 0.0146112900000000, 0.0028268900000000 ] - [ -0.0013944500000000, 0.0020052600000000, -0.0002413800000000 ] - [ -0.0007142000000000, -0.0008458100000000, -0.0005607600000000 ] - [ 0.0001883900000000, 0.0001154900000000, -0.0002949200000000 ] - [ -0.0001822700000000, -0.0002478800000000, 0.0001910000000000 ] - [ 0.0001871300000000, -0.0001155900000000, -0.0002943900000000 ] - [ -0.0001803300000000, 0.0002472500000000, 0.0001955800000000 ] - [ -0.0012030100000000, 0.0002658300000000, 0.0009962900000000 ] - [ 0.0065816000000000, 0.0363260300000000, 0.0010739100000000 ] - [ 0.0038894800000000, -0.0047583100000000, -0.0020660100000000 ] - [ -0.0005793400000000, -0.0001396700000000, -0.0001292600000000 ] - [ 0.0007600500000000, 0.0001999800000000, -0.0003264900000000 ] - [ 0.0007696700000000, -0.0001984200000000, -0.0003407500000000 ] - [ 0.0005958900000000, 0.0002238400000000, 0.0000739300000000 ] - [ 0.0005822300000000, -0.0002157400000000, 0.0001342300000000 ] - [ 0.0091717600000000, 0.0351644000000000, 0.0122069600000000 ] - [ 0.0006895500000000, -0.0005615000000000, 0.0010027600000000 ] - [ 0.0010531500000000, 0.0007152600000000, -0.0003777700000000 ] - [ 0.0001590300000000, 0.0006714300000000, 0.0008720400000000 ] - [ -0.0185125100000000, -0.3395779200000000, -0.0168659100000000 ] - [ -0.0000974100000000, -0.0020863100000000, -0.0003344400000000 ] - [ -0.0000939500000000, -0.0006907700000000, -0.0004680200000000 ] - [ 0.0003779100000000, -0.0007615300000000, 0.0008177700000000 ] - [ -0.0015171400000000, 0.0010220500000000, -0.0003391400000000 ] - [ 0.0011149500000000, -0.0000917000000000, -0.0000102500000000 ] - [ 0.0005320900000000, 0.0003636200000000, -0.0003330000000000 ] - [ 0.0006468400000000, -0.0003477100000000, 0.0000644500000000 ] - [ -0.0005476200000000, -0.0153901600000000, 0.0024029700000000 ] - [ 0.0004392900000000, 0.0001439600000000, 0.0001535700000000 ] - [ -0.0016151100000000, -0.0032965000000000, 0.0016132400000000 ] - [ -0.0005040700000000, 0.0002233200000000, 0.0009215800000000 ] - [ 0.0004891700000000, -0.0000172900000000, -0.0000133300000000 ] - [ 0.0010911800000000, -0.0008501600000000, 0.0004482500000000 ] - [ 0.0011425100000000, 0.0008491600000000, 0.0005047300000000 ] - [ 0.0000318600000000, 0.0005997500000000, 0.0009542600000000 ] - [ 0.0012397800000000, 0.0000800100000000, -0.0002062400000000 ] - [ 0.0006427800000000, -0.0000177000000000, -0.0002304900000000 ] - [ 0.0007281700000000, 0.0000702000000000, 0.0000036600000000 ] - [ 0.0002053800000000, -0.0003936800000000, 0.0006121700000000 ] - [ 0.0012340300000000, -0.0000817200000000, -0.0001953900000000 ] - [ 0.0009024200000000, -0.0002082300000000, 0.0000745200000000 ] - [ 0.0008721500000000, 0.0005262900000000, 0.0000211000000000 ] - [ 0.0005621300000000, -0.0003103900000000, -0.0001595800000000 ] - [ 0.0007178000000000, -0.0000667000000000, -0.0000182300000000 ] - [ 0.0008898800000000, 0.0001810400000000, 0.0001746900000000 ] - [ 0.0004711600000000, 0.0000190700000000, -0.0000158800000000 ] - [ 0.0005732700000000, -0.0000213100000000, -0.0002268300000000 ] - [ 0.0021725000000000, 0.0011875500000000, 0.0019952000000000 ] - [ 0.0005879700000000, -0.0000967600000000, -0.0001243900000000 ] - [ 0.0070187000000000, 0.0021520300000000, 0.0041898400000000 ] - [ -0.0003439700000000, -0.0001349100000000, 0.0006576500000000 ] - [ -0.0003732100000000, 0.0004940000000000, 0.0003777500000000 ] - [ 0.0073984800000000, -0.0093815900000000, -0.0134996500000000 ] - [ -0.0004168200000000, 0.0000577500000000, 0.0001189400000000 ] - [ -0.0003174000000000, 0.0001746800000000, -0.0001741900000000 ] - [ -0.0007666700000000, 0.0004673200000000, 0.0015466600000000 ] - [ -0.0009178700000000, 0.0003064800000000, 0.0002151300000000 ] - [ 0.0002249600000000, 0.0001800800000000, 0.0001995200000000 ] - [ -0.0008599700000000, -0.0002693200000000, 0.0002973700000000 ] - [ 0.0004378300000000, -0.0012235800000000, 0.0000405600000000 ] - [ 0.0006453000000000, -0.0001370700000000, 0.0006037400000000 ] - [ 0.0010816300000000, 0.0013943200000000, -0.0025240500000000 ] - [ 0.0000443700000000, 0.0006120100000000, -0.0008618100000000 ] - [ 0.0004599800000000, 0.0003839100000000, 0.0005578300000000 ] - [ -0.0000375200000000, -0.0002909100000000, 0.0001968400000000 ] - [ -0.0000400500000000, 0.0004430400000000, -0.0000385500000000 ] - [ 0.0247485500000000, 0.0365069700000000, 0.0195068700000000 ] - [ 0.0024980700000000, -0.0017925400000000, 0.0020307300000000 ] - [ 0.0005654300000000, -0.0003475000000000, -0.0006531500000000 ] - [ 0.0003919200000000, -0.0005579900000000, -0.0007743100000000 ] - [ -0.0006016600000000, 0.0001185700000000, -0.0002936100000000 ] - [ -0.0005222700000000, 0.0020464600000000, -0.0016758400000000 ] - [ 0.0002336700000000, -0.0022781000000000, 0.0002599700000000 ] - [ 0.0005384600000000, -0.0000043000000000, -0.0002815100000000 ] - [ -0.0002179500000000, -0.0006088700000000, 0.0003842700000000 ] - [ -0.0021366100000000, 0.0008717400000000, 0.0001818900000000 ] - [ -0.0062004200000000, 0.0110142500000000, -0.0062480200000000 ] - [ -0.0003125200000000, 0.0000667100000000, -0.0000691000000000 ] - [ -0.0699052700000000, 0.1324187100000000, 0.0792024900000000 ] - [ 0.0005074200000000, 0.0000777200000000, -0.0006067800000000 ] - [ -0.0004646300000000, 0.0002282400000000, 0.0007099600000000 ] - [ 0.0012363800000000, -0.0007089900000000, 0.0008205300000000 ] - [ 0.0003454800000000, 0.0002921600000000, 0.0001407300000000 ] - [ -0.0094952600000000, -0.0070514500000000, 0.0045097500000000 ] - [ -0.0000898100000000, -0.0004589200000000, -0.0000001100000000 ] - [ -0.0005295600000000, -0.0001990600000000, 0.0007157900000000 ] - [ 0.0002584200000000, 0.0001055600000000, -0.0005453100000000 ] - [ 0.0009901400000000, -0.0003180800000000, 0.0006174700000000 ] - [ -0.0000768700000000, 0.0007317200000000, -0.0015736500000000 ] - [ 0.0003369900000000, -0.0002061000000000, -0.0006090500000000 ] - [ -0.0001770500000000, 0.0006022700000000, 0.0004071200000000 ] - [ -0.0000250600000000, 0.0004344200000000, -0.0000588100000000 ] - [ -0.0001559100000000, -0.0000492200000000, -0.0000140500000000 ] - [ 0.0440929500000000, 0.1148361000000000, -0.0924458500000000 ] - [ -0.0004563700000000, 0.0000150700000000, 0.0005081100000000 ] - [ -0.0007243500000000, 0.0000962100000000, -0.0003383700000000 ] - [ -0.0005817100000000, -0.0006305100000000, -0.0000942700000000 ] - [ -0.0003257900000000, -0.0001197800000000, -0.0000276400000000 ] - [ -0.0004421500000000, -0.0000481000000000, 0.0004081800000000 ] - [ -0.0001588300000000, 0.0003624600000000, 0.0003255300000000 ] - [ -0.0006460100000000, -0.0000023800000000, -0.0005642100000000 ] - [ -0.0004784200000000, -0.0000150500000000, 0.0000915700000000 ] - [ -0.0002224400000000, 0.0001056900000000, -0.0001198300000000 ] - [ 0.0000496900000000, 0.0000691000000000, 0.0002015500000000 ] - [ -0.0007968400000000, 0.0003447000000000, 0.0003537100000000 ] - [ -0.0002996800000000, -0.0000229100000000, -0.0005050700000000 ] - [ -0.0015996500000000, -0.0002053200000000, -0.0001336000000000 ] - [ 0.0001486900000000, -0.0006992400000000, 0.0004130500000000 ] - [ 0.0001419400000000, 0.0007094400000000, 0.0003870000000000 ] - [ -0.0001393800000000, 0.0000396100000000, -0.0001867700000000 ] - [ -0.0002844900000000, 0.0000128900000000, -0.0004888800000000 ] - [ -0.0000682500000000, -0.0002862800000000, -0.0000098400000000 ] - [ -0.0001398300000000, -0.0003636100000000, 0.0002881700000000 ] - [ 0.0000616400000000, 0.0003678200000000, 0.0000073400000000 ] - [ -0.0003620800000000, -0.0000274600000000, -0.0001926600000000 ] - [ -0.0007283400000000, -0.0000953700000000, -0.0003381400000000 ] - [ -0.0002422700000000, 0.0001224800000000, -0.0004715800000000 ] - [ -0.0006488000000000, 0.0001135900000000, -0.0002351300000000 ] - [ -0.0001693600000000, 0.0002328100000000, -0.0003916300000000 ] - [ -0.0000533400000000, 0.0002852300000000, 0.0000005900000000 ] - [ -0.0001412300000000, -0.0000390400000000, -0.0001884800000000 ] - [ 0.0000599400000000, -0.0000651100000000, 0.0002039400000000 ] - [ -0.0002072200000000, -0.0005512100000000, 0.0004743900000000 ] - [ 0.0000144200000000, 0.0000136400000000, -0.0002356300000000 ] - [ -0.0002392600000000, -0.0001244800000000, -0.0004662400000000 ] - [ -0.0003409900000000, 0.0000509200000000, 0.0000304800000000 ] - [ -0.0005845000000000, 0.0006318000000000, -0.0000910000000000 ] - [ 0.0000335400000000, -0.0000061500000000, -0.0002370600000000 ] - [ -0.0002026900000000, 0.0002583500000000, 0.0006091600000000 ] - [ -0.0004300000000000, -0.0005164900000000, 0.0002036600000000 ] - [ -0.0006378600000000, 0.0000030000000000, -0.0005680800000000 ] - [ -0.0000430000000000, -0.0001439800000000, -0.0002059700000000 ] - [ -0.0002501600000000, -0.0009108600000000, 0.0000847700000000 ] - [ 0.0003503500000000, 0.0004592200000000, 0.0008637900000000 ] - [ -0.0004130200000000, 0.0005148200000000, 0.0001910000000000 ] - [ -0.0003611100000000, 0.0000281400000000, -0.0001984400000000 ] - [ -0.0000379500000000, 0.0001415300000000, -0.0002081900000000 ] - [ -0.0001786700000000, -0.0002181300000000, -0.0004146400000000 ] - [ -0.0001741600000000, 0.0006847700000000, 0.0002352500000000 ] - [ -0.0003270100000000, 0.0001216200000000, -0.0000357200000000 ] - [ -0.0002314000000000, -0.0001325400000000, -0.0001688600000000 ] - [ -0.0006525600000000, -0.0001155500000000, -0.0002302800000000 ] - [ -0.0003835700000000, 0.0000603200000000, 0.0006080600000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001443000000000, 0.0061703700000000, 0.0002612400000000 ] - [ -0.0012340800000000, -0.0151417300000000, -0.0026858500000000 ] - [ 0.0014181900000000, -0.0022516500000000, -0.0003210300000000 ] - [ 0.0000333600000000, 0.0013711900000000, 0.0009338100000000 ] - [ -0.0002223700000000, 0.0001212900000000, -0.0003026200000000 ] - [ -0.0005069400000000, -0.0002709700000000, 0.0001406600000000 ] - [ -0.0002212100000000, -0.0001217500000000, -0.0003032100000000 ] - [ -0.0005086300000000, 0.0002714300000000, 0.0001361500000000 ] - [ 0.0014589000000000, 0.0000383700000000, -0.0016741900000000 ] - [ -0.0062528000000000, -0.0366224100000000, -0.0019449500000000 ] - [ -0.0040099300000000, 0.0051576600000000, 0.0021762000000000 ] - [ 0.0003951100000000, -0.0003715600000000, 0.0003718400000000 ] - [ -0.0005538100000000, 0.0001021000000000, -0.0003729800000000 ] - [ -0.0005642100000000, -0.0001037500000000, -0.0003602800000000 ] - [ -0.0007974300000000, 0.0002861400000000, 0.0001255800000000 ] - [ -0.0007824100000000, -0.0002942100000000, 0.0000659900000000 ] - [ -0.0094833200000000, -0.0353789000000000, -0.0118684300000000 ] - [ 0.0005610400000000, -0.0010378100000000, -0.0001830400000000 ] - [ 0.0001576300000000, 0.0008952000000000, 0.0012129600000000 ] - [ -0.0007414200000000, 0.0004759900000000, 0.0007954600000000 ] - [ 0.0116000600000000, 0.3402228100000000, 0.0254313700000000 ] - [ 0.0001832900000000, 0.0022719300000000, -0.0001270100000000 ] - [ 0.0005192200000000, 0.0005315400000000, 0.0003049500000000 ] - [ -0.0009623700000000, -0.0003851400000000, 0.0008448100000000 ] - [ 0.0023964800000000, -0.0009804900000000, 0.0000551400000000 ] - [ -0.0004350100000000, -0.0003500600000000, 0.0003737500000000 ] - [ -0.0004788100000000, 0.0003281500000000, 0.0002952400000000 ] - [ -0.0005861900000000, -0.0003419400000000, -0.0001090000000000 ] - [ 0.0009611200000000, 0.0156140300000000, -0.0026387300000000 ] - [ 0.0002490200000000, 0.0002920200000000, 0.0002384300000000 ] - [ 0.0016083300000000, 0.0033807800000000, -0.0016510600000000 ] - [ 0.0006235400000000, -0.0003921100000000, -0.0013787400000000 ] - [ -0.0005240600000000, -0.0000839600000000, -0.0000834000000000 ] - [ 0.0001564300000000, -0.0007654500000000, 0.0003785100000000 ] - [ 0.0001053700000000, 0.0007660900000000, 0.0003209700000000 ] - [ -0.0006074200000000, 0.0005535500000000, 0.0007240400000000 ] - [ -0.0004291900000000, -0.0001326600000000, -0.0001232700000000 ] - [ -0.0005434400000000, 0.0001870500000000, -0.0002385300000000 ] - [ -0.0003381600000000, -0.0002337900000000, -0.0002068900000000 ] - [ -0.0008044500000000, -0.0007386500000000, 0.0010390700000000 ] - [ -0.0004230500000000, 0.0001343100000000, -0.0001336600000000 ] - [ -0.0002231000000000, -0.0002287900000000, 0.0003053600000000 ] - [ -0.0008082400000000, 0.0001665500000000, -0.0000694100000000 ] - [ -0.0005093200000000, -0.0003821800000000, 0.0001269700000000 ] - [ -0.0003286000000000, 0.0002300400000000, -0.0001849800000000 ] - [ -0.0002041000000000, 0.0002563800000000, 0.0002064300000000 ] - [ -0.0005061700000000, 0.0000822000000000, -0.0000807900000000 ] - [ -0.0004769100000000, -0.0001499200000000, -0.0002379400000000 ] - [ -0.0032190100000000, -0.0009052700000000, -0.0026861700000000 ] - [ -0.0011781800000000, -0.0008490000000000, -0.0002100600000000 ] - [ -0.0074401700000000, -0.0024047600000000, -0.0042449100000000 ] - [ -0.0001272200000000, -0.0001375400000000, 0.0004857100000000 ] - [ 0.0006616600000000, -0.0000581000000000, 0.0000339500000000 ] - [ -0.0080992600000000, 0.0095242400000000, 0.0123215600000000 ] - [ 0.0003473200000000, -0.0005084800000000, -0.0002469200000000 ] - [ 0.0001878600000000, -0.0000571100000000, -0.0001311600000000 ] - [ 0.0012746600000000, -0.0004262800000000, -0.0011977200000000 ] - [ -0.0001321000000000, 0.0000666800000000, 0.0004917000000000 ] - [ -0.0002918200000000, -0.0000523300000000, -0.0011947400000000 ] - [ -0.0001873100000000, -0.0001028300000000, 0.0004099000000000 ] - [ 0.0002059400000000, -0.0000977600000000, 0.0007631500000000 ] - [ 0.0000421400000000, 0.0014371700000000, 0.0001870600000000 ] - [ -0.0010390800000000, -0.0013183600000000, 0.0021091500000000 ] - [ -0.0001306900000000, -0.0007255800000000, -0.0000881000000000 ] - [ -0.0001212600000000, -0.0007480500000000, -0.0005592100000000 ] - [ 0.0003224200000000, -0.0001449400000000, 0.0002119200000000 ] - [ 0.0003056700000000, 0.0003575000000000, -0.0000761900000000 ] - [ -0.0244012400000000, -0.0362680100000000, -0.0195572700000000 ] - [ -0.0035854600000000, 0.0015719700000000, -0.0026630100000000 ] - [ -0.0003179100000000, 0.0006217600000000, -0.0000862200000000 ] - [ -0.0010892900000000, 0.0005314500000000, 0.0002033900000000 ] - [ 0.0009558700000000, 0.0005483300000000, -0.0002826100000000 ] - [ 0.0008521000000000, -0.0016856700000000, 0.0016839800000000 ] - [ -0.0001652900000000, 0.0022142000000000, -0.0007209900000000 ] - [ -0.0000617100000000, -0.0000478600000000, 0.0006118200000000 ] - [ 0.0002873000000000, -0.0004044000000000, 0.0003403400000000 ] - [ 0.0027772100000000, -0.0010614600000000, -0.0006253600000000 ] - [ 0.0064598900000000, -0.0112205000000000, 0.0055250000000000 ] - [ 0.0002332300000000, 0.0003765600000000, -0.0000571600000000 ] - [ 0.0739933400000000, -0.1368198900000000, -0.0838399800000000 ] - [ 0.0001038500000000, 0.0000967600000000, 0.0001740100000000 ] - [ 0.0001046000000000, 0.0004732100000000, 0.0008155500000000 ] - [ -0.0016228100000000, -0.0002021900000000, -0.0005339600000000 ] - [ -0.0011933600000000, -0.0003386500000000, -0.0011411800000000 ] - [ 0.0098320500000000, 0.0067135300000000, -0.0049251400000000 ] - [ 0.0003558100000000, -0.0003420000000000, -0.0001138000000000 ] - [ 0.0001702000000000, -0.0005027800000000, 0.0008103000000000 ] - [ -0.0006587500000000, 0.0008154600000000, 0.0008130100000000 ] - [ -0.0008000900000000, 0.0003721300000000, -0.0007773200000000 ] - [ 0.0004564400000000, -0.0006468100000000, 0.0010374700000000 ] - [ -0.0000096800000000, -0.0004594800000000, 0.0000114300000000 ] - [ 0.0002467900000000, 0.0004113900000000, 0.0003140800000000 ] - [ -0.0003177000000000, -0.0001848000000000, -0.0000033700000000 ] - [ 0.0000304500000000, -0.0000723700000000, -0.0003080400000000 ] - [ -0.0417115200000000, -0.1102518000000000, 0.0872706500000000 ] - [ -0.0000153300000000, 0.0002592400000000, 0.0006394500000000 ] - [ -0.0003146200000000, 0.0001744600000000, -0.0003552100000000 ] - [ 0.0000192700000000, -0.0003028800000000, -0.0002289500000000 ] - [ -0.0000008100000000, -0.0001156400000000, -0.0000144300000000 ] - [ -0.0000319700000000, -0.0002253800000000, 0.0007370600000000 ] - [ 0.0004493100000000, 0.0000696500000000, 0.0000857500000000 ] - [ -0.0001921500000000, 0.0000572400000000, -0.0004086600000000 ] - [ 0.0004008000000000, -0.0004299400000000, -0.0002147500000000 ] - [ 0.0000963900000000, 0.0000143400000000, -0.0001950900000000 ] - [ 0.0004330900000000, -0.0000218600000000, 0.0001356000000000 ] - [ -0.0002512800000000, 0.0000283800000000, 0.0003469800000000 ] - [ 0.0002107500000000, 0.0001416300000000, -0.0004675200000000 ] - [ 0.0005400600000000, -0.0001671000000000, 0.0008416500000000 ] - [ 0.0005209100000000, -0.0006029600000000, 0.0003988000000000 ] - [ 0.0005276900000000, 0.0005928000000000, 0.0004246000000000 ] - [ 0.0002082400000000, 0.0000469700000000, -0.0002448700000000 ] - [ 0.0001958900000000, -0.0001317100000000, -0.0004835300000000 ] - [ 0.0004073500000000, -0.0000702200000000, 0.0000206800000000 ] - [ 0.0004234800000000, -0.0000742200000000, 0.0001215500000000 ] - [ 0.0002066200000000, 0.0004293400000000, -0.0001310800000000 ] - [ 0.0005844400000000, -0.0000196700000000, 0.0000728800000000 ] - [ -0.0003107900000000, -0.0001755500000000, -0.0003560100000000 ] - [ 0.0005308500000000, 0.0001626800000000, -0.0002335800000000 ] - [ -0.0000203300000000, -0.0001472000000000, -0.0003155100000000 ] - [ 0.0005085500000000, 0.0004343800000000, -0.0001982400000000 ] - [ 0.0003933700000000, 0.0000717200000000, 0.0000087300000000 ] - [ 0.0002095700000000, -0.0000472300000000, -0.0002423700000000 ] - [ 0.0004231800000000, 0.0000180700000000, 0.0001327700000000 ] - [ 0.0002828900000000, -0.0004581800000000, 0.0002504200000000 ] - [ 0.0006140400000000, -0.0001928200000000, -0.0001943300000000 ] - [ 0.0005282500000000, -0.0001610000000000, -0.0002385800000000 ] - [ 0.0002691200000000, 0.0003980200000000, -0.0001608800000000 ] - [ 0.0000220800000000, 0.0003015200000000, -0.0002320700000000 ] - [ 0.0005959200000000, 0.0001859100000000, -0.0001938200000000 ] - [ -0.0001668300000000, 0.0004385100000000, 0.0009086600000000 ] - [ 0.0000366900000000, -0.0004011600000000, 0.0000729300000000 ] - [ -0.0002005700000000, -0.0000574400000000, -0.0004049800000000 ] - [ 0.0004344600000000, 0.0000591600000000, -0.0003191900000000 ] - [ 0.0005125400000000, 0.0001010200000000, -0.0001877400000000 ] - [ -0.0006770400000000, -0.0011577000000000, 0.0006730300000000 ] - [ 0.0000203500000000, 0.0004022000000000, 0.0000839900000000 ] - [ 0.0005838900000000, 0.0000196300000000, 0.0000779600000000 ] - [ 0.0004292100000000, -0.0000566500000000, -0.0003174200000000 ] - [ 0.0005149700000000, -0.0004474700000000, -0.0001769000000000 ] - [ 0.0002361300000000, 0.0003342900000000, 0.0004816500000000 ] - [ -0.0000005200000000, 0.0001144100000000, -0.0000070400000000 ] - [ 0.0001034600000000, 0.0000118700000000, -0.0001457600000000 ] - [ -0.0000166100000000, 0.0001491800000000, -0.0003202200000000 ] - [ -0.0000850800000000, 0.0002127800000000, 0.0005341300000000 ]- atom: 21 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0072044900000000, -0.0004437200000000, 0.0128744900000000 ] - [ 0.0061330400000000, 0.0020700000000000, 0.0047800300000000 ] - [ 0.0040481800000000, 0.0003379300000000, 0.0030560400000000 ] - [ -0.0012392800000000, 0.0000387500000000, 0.0062581200000000 ] - [ -0.0000976600000000, 0.0001211400000000, -0.0003021200000000 ] - [ -0.0004230200000000, -0.0002654600000000, 0.0001456800000000 ] - [ -0.0001176100000000, -0.0001186300000000, -0.0002985800000000 ] - [ -0.0004112900000000, 0.0002633400000000, 0.0001617300000000 ] - [ 0.0010037300000000, 0.0005500200000000, 0.0054682600000000 ] - [ -0.0211197700000000, 0.0004789100000000, -0.0136863900000000 ] - [ 0.0110357800000000, -0.0062184600000000, -0.0087958200000000 ] - [ -0.0003307400000000, -0.0006280600000000, 0.0059803800000000 ] - [ -0.0001876000000000, 0.0001462100000000, -0.0002757500000000 ] - [ -0.0001951100000000, -0.0001106700000000, -0.0004445100000000 ] - [ -0.0004928900000000, 0.0003134400000000, -0.0000400600000000 ] - [ -0.0003282000000000, -0.0002304900000000, 0.0002248600000000 ] - [ -0.0304155200000000, -0.0037702100000000, -0.0089943700000000 ] - [ 0.0040704200000000, -0.0014731100000000, 0.0020969700000000 ] - [ -0.0054243000000000, -0.0002866000000000, 0.0010940100000000 ] - [ -0.0006407200000000, 0.0004410600000000, 0.0012494800000000 ] - [ 0.0270793100000000, -0.0211495300000000, -0.3272093900000000 ] - [ -0.0044727200000000, 0.0025886900000000, -0.0012734500000000 ] - [ -0.0022039800000000, 0.0005985400000000, 0.0057394600000000 ] - [ -0.0003743400000000, -0.0006173000000000, 0.0004027400000000 ] - [ 0.0004498700000000, 0.0001923400000000, 0.0092086900000000 ] - [ 0.0003829800000000, -0.0007297200000000, -0.0018229100000000 ] - [ -0.0009404900000000, 0.0005026400000000, 0.0002995000000000 ] - [ 0.0004659100000000, -0.0001937600000000, -0.0000166200000000 ] - [ 0.0151398400000000, -0.0121664600000000, 0.0049152500000000 ] - [ 0.0001111200000000, 0.0001048200000000, 0.0022790000000000 ] - [ 0.0074346900000000, 0.0012107900000000, 0.0090731400000000 ] - [ 0.0012485800000000, 0.0003955900000000, 0.0021648500000000 ] - [ -0.0002159400000000, -0.0000642100000000, -0.0000813500000000 ] - [ 0.0002934200000000, -0.0008102800000000, 0.0003861600000000 ] - [ 0.0005162100000000, 0.0007716400000000, 0.0003909200000000 ] - [ -0.0001614600000000, 0.0011361600000000, 0.0027536500000000 ] - [ 0.0000251800000000, -0.0000792900000000, -0.0001837600000000 ] - [ 0.0000827100000000, -0.0000329300000000, -0.0004176400000000 ] - [ 0.0000361200000000, -0.0001392700000000, -0.0000737200000000 ] - [ -0.0014089700000000, 0.0003641400000000, -0.0015687800000000 ] - [ 0.0000466300000000, 0.0000687100000000, -0.0001133100000000 ] - [ -0.0002179900000000, -0.0002180300000000, -0.0000168500000000 ] - [ 0.0009353000000000, 0.0006564000000000, -0.0002914700000000 ] - [ -0.0010801800000000, -0.0005064100000000, 0.0006773600000000 ] - [ -0.0001142800000000, 0.0001535100000000, -0.0002111800000000 ] - [ 0.0003330700000000, 0.0001839000000000, 0.0005391900000000 ] - [ -0.0002621900000000, 0.0000652300000000, -0.0000432700000000 ] - [ -0.0004375100000000, -0.0002279500000000, -0.0000369900000000 ] - [ -0.0037121600000000, -0.0001817400000000, -0.0062671800000000 ] - [ -0.0004458800000000, -0.0001071200000000, -0.0029434200000000 ] - [ -0.0007832100000000, 0.0044955700000000, 0.0076550800000000 ] - [ -0.0000149900000000, -0.0001411700000000, 0.0003645600000000 ] - [ -0.0000312400000000, 0.0004724500000000, 0.0006276900000000 ] - [ 0.0018067700000000, 0.0047065000000000, 0.0190738300000000 ] - [ 0.0010285600000000, -0.0010557100000000, -0.0001304700000000 ] - [ -0.0003976300000000, -0.0000247100000000, 0.0007628000000000 ] - [ 0.0041849500000000, -0.0018280900000000, 0.0026440000000000 ] - [ -0.0006412800000000, 0.0002433800000000, 0.0002709500000000 ] - [ 0.0037935900000000, 0.0014166000000000, -0.0035682400000000 ] - [ -0.0000217700000000, -0.0000311200000000, 0.0005237600000000 ] - [ -0.0001952900000000, -0.0000771100000000, 0.0002324700000000 ] - [ 0.0021012300000000, 0.0008597100000000, -0.0017580000000000 ] - [ -0.0027838200000000, 0.0001141100000000, -0.0025625000000000 ] - [ -0.0025005300000000, 0.0010505400000000, -0.0006749700000000 ] - [ 0.0010498900000000, -0.0006766900000000, -0.0008608100000000 ] - [ 0.0004365400000000, 0.0000486200000000, -0.0003496400000000 ] - [ 0.0002655000000000, 0.0003179900000000, -0.0001858000000000 ] - [ 0.0662553000000000, 0.0241566100000000, 0.0974576100000000 ] - [ 0.0063259900000000, -0.0019234000000000, -0.0003423200000000 ] - [ -0.0008945700000000, -0.0005442600000000, -0.0030738800000000 ] - [ -0.0006250900000000, -0.0008047300000000, -0.0043688600000000 ] - [ 0.0009092600000000, -0.0002568500000000, 0.0023527600000000 ] - [ -0.0016553200000000, 0.0022707300000000, -0.0017516600000000 ] - [ 0.0013228800000000, -0.0000835400000000, -0.0024672500000000 ] - [ -0.0004640500000000, -0.0006914500000000, -0.0016594300000000 ] - [ 0.0000485500000000, -0.0004653600000000, 0.0005300200000000 ] - [ 0.0058390100000000, -0.0018340600000000, -0.0011411300000000 ] - [ -0.0090262300000000, 0.0007652400000000, 0.0043961400000000 ] - [ -0.0005298800000000, -0.0001520800000000, -0.0002395100000000 ] - [ -0.0468845700000000, 0.0714759100000000, 0.0844609800000000 ] - [ -0.0009880000000000, -0.0003839000000000, -0.0014496200000000 ] - [ -0.0000045900000000, 0.0004385600000000, 0.0007112500000000 ] - [ 0.0018699300000000, 0.0011810000000000, 0.0024534300000000 ] - [ -0.0013585900000000, 0.0015544800000000, -0.0054583100000000 ] - [ 0.0113967400000000, 0.0067116200000000, 0.0049014100000000 ] - [ 0.0001673700000000, -0.0004375500000000, 0.0000422100000000 ] - [ -0.0000939500000000, -0.0003789900000000, 0.0008576500000000 ] - [ 0.0000532500000000, 0.0000118400000000, -0.0016150700000000 ] - [ -0.0004317500000000, 0.0004518400000000, -0.0044869200000000 ] - [ -0.0007371100000000, -0.0010998100000000, -0.0046573400000000 ] - [ -0.0001472300000000, -0.0000511800000000, -0.0015039900000000 ] - [ 0.0002285700000000, 0.0004607000000000, 0.0001232000000000 ] - [ 0.0003026100000000, 0.0007948100000000, -0.0027404900000000 ] - [ 0.0004654700000000, -0.0002367500000000, -0.0012914700000000 ] - [ -0.0375159700000000, -0.0742265700000000, 0.1108317500000000 ] - [ -0.0003652800000000, 0.0001190000000000, 0.0006699700000000 ] - [ -0.0004232600000000, 0.0001519900000000, -0.0003551200000000 ] - [ -0.0001454100000000, -0.0003924600000000, -0.0002026700000000 ] - [ -0.0000800900000000, -0.0001124800000000, 0.0000142100000000 ] - [ -0.0004602200000000, -0.0000859000000000, 0.0003077700000000 ] - [ 0.0005821200000000, -0.0001320200000000, 0.0003389500000000 ] - [ -0.0003241600000000, 0.0000475600000000, -0.0004319300000000 ] - [ -0.0003904800000000, -0.0000339400000000, 0.0002964300000000 ] - [ 0.0001300800000000, -0.0000456900000000, -0.0000921200000000 ] - [ 0.0002986000000000, 0.0000013600000000, 0.0001913100000000 ] - [ 0.0003398200000000, -0.0000018300000000, -0.0001818500000000 ] - [ 0.0000225500000000, 0.0000897900000000, -0.0004855200000000 ] - [ -0.0024571000000000, -0.0001300200000000, 0.0001401100000000 ] - [ 0.0004360400000000, -0.0006214700000000, 0.0004330900000000 ] - [ 0.0004022200000000, 0.0006333800000000, 0.0003845200000000 ] - [ 0.0001248600000000, 0.0000435800000000, -0.0002326900000000 ] - [ 0.0001128300000000, -0.0000971600000000, -0.0004784700000000 ] - [ 0.0002005600000000, -0.0001318100000000, 0.0000436600000000 ] - [ 0.0001519000000000, -0.0002756700000000, -0.0000260100000000 ] - [ 0.0007717900000000, -0.0001383400000000, -0.0013342900000000 ] - [ 0.0003377500000000, -0.0000216100000000, 0.0000150600000000 ] - [ -0.0004312800000000, -0.0001554900000000, -0.0003458400000000 ] - [ 0.0002837500000000, 0.0001457100000000, -0.0003225500000000 ] - [ -0.0001895400000000, -0.0000787500000000, -0.0003092500000000 ] - [ 0.0004698600000000, 0.0004729600000000, -0.0001156000000000 ] - [ 0.0003438400000000, 0.0001242600000000, -0.0000477800000000 ] - [ 0.0000973500000000, -0.0000457200000000, -0.0002218400000000 ] - [ 0.0003509000000000, -0.0000082000000000, 0.0001124400000000 ] - [ 0.0012336800000000, 0.0005511200000000, 0.0012171100000000 ] - [ 0.0003650000000000, -0.0000994300000000, -0.0001741200000000 ] - [ 0.0003469900000000, -0.0001536100000000, -0.0002801800000000 ] - [ 0.0004523900000000, 0.0005701400000000, -0.0004431500000000 ] - [ -0.0001475100000000, 0.0003922900000000, -0.0001826000000000 ] - [ 0.0005124900000000, 0.0001648200000000, -0.0002399500000000 ] - [ -0.0008763600000000, 0.0001361700000000, -0.0002675100000000 ] - [ -0.0001657800000000, -0.0004636100000000, 0.0001956600000000 ] - [ -0.0003182000000000, -0.0000338400000000, -0.0004714300000000 ] - [ 0.0002945200000000, 0.0000008300000000, -0.0002812900000000 ] - [ -0.0006761700000000, -0.0016046300000000, 0.0014623500000000 ] - [ 0.0017270600000000, -0.0000662000000000, 0.0033107300000000 ] - [ -0.0000390700000000, 0.0003979300000000, 0.0000293500000000 ] - [ 0.0003029400000000, 0.0000223200000000, -0.0000154100000000 ] - [ 0.0003068200000000, -0.0000046700000000, -0.0002932500000000 ] - [ 0.0001974300000000, -0.0002923600000000, -0.0003758500000000 ] - [ -0.0007204600000000, 0.0012936000000000, -0.0006498000000000 ] - [ -0.0001032500000000, 0.0001233900000000, -0.0000474000000000 ] - [ -0.0001082200000000, -0.0001402400000000, -0.0002847400000000 ] - [ -0.0001991700000000, 0.0000736000000000, -0.0002805400000000 ] - [ 0.0001037400000000, 0.0002331000000000, 0.0005611500000000 ]- atom: 21 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0073184000000000, 0.0006925500000000, -0.0136382000000000 ] - [ -0.0068451400000000, -0.0026193900000000, -0.0044187500000000 ] - [ -0.0040402800000000, -0.0005697500000000, -0.0036489300000000 ] - [ 0.0005448300000000, 0.0004730100000000, -0.0058930100000000 ] - [ 0.0000665400000000, 0.0001155700000000, -0.0002953100000000 ] - [ -0.0002633800000000, -0.0002532000000000, 0.0001864900000000 ] - [ 0.0000865000000000, -0.0001186400000000, -0.0002990700000000 ] - [ -0.0002751700000000, 0.0002548100000000, 0.0001703400000000 ] - [ -0.0007411500000000, -0.0002448700000000, -0.0061690300000000 ] - [ 0.0212523900000000, -0.0007738500000000, 0.0129904800000000 ] - [ -0.0111611300000000, 0.0067110500000000, 0.0089981300000000 ] - [ 0.0001170500000000, 0.0001253300000000, -0.0057786000000000 ] - [ 0.0004022000000000, 0.0001572000000000, -0.0004233300000000 ] - [ 0.0004101400000000, -0.0001926900000000, -0.0002546000000000 ] - [ 0.0003020800000000, 0.0001958300000000, 0.0002399200000000 ] - [ 0.0001382100000000, -0.0002790600000000, -0.0000253400000000 ] - [ 0.0300303100000000, 0.0036600200000000, 0.0087398300000000 ] - [ -0.0028319400000000, -0.0001414800000000, -0.0012515100000000 ] - [ 0.0066332400000000, 0.0018935600000000, -0.0002827500000000 ] - [ 0.0000667200000000, 0.0007097500000000, 0.0004164400000000 ] - [ -0.0264785700000000, 0.0206973300000000, 0.3315185500000000 ] - [ 0.0045758700000000, -0.0024149200000000, 0.0008309900000000 ] - [ 0.0026452500000000, -0.0007515200000000, -0.0059184200000000 ] - [ -0.0002038400000000, -0.0005316900000000, 0.0012609800000000 ] - [ 0.0004138200000000, -0.0001446500000000, -0.0095426600000000 ] - [ 0.0002997700000000, 0.0002920100000000, 0.0021927600000000 ] - [ 0.0010039800000000, 0.0001874900000000, -0.0003381600000000 ] - [ -0.0003994500000000, -0.0004946200000000, -0.0000304900000000 ] - [ -0.0146750600000000, 0.0123364400000000, -0.0051831700000000 ] - [ 0.0005887800000000, 0.0003296800000000, -0.0018927200000000 ] - [ -0.0075587400000000, -0.0011258500000000, -0.0091993600000000 ] - [ -0.0011208600000000, -0.0005667200000000, -0.0026407300000000 ] - [ 0.0001881100000000, -0.0000365800000000, -0.0000142300000000 ] - [ 0.0009626500000000, -0.0008059200000000, 0.0004420800000000 ] - [ 0.0007391400000000, 0.0008442800000000, 0.0004357900000000 ] - [ -0.0004254500000000, 0.0000115500000000, -0.0010838900000000 ] - [ 0.0007978900000000, 0.0000280200000000, -0.0001464300000000 ] - [ 0.0000241900000000, 0.0002026600000000, -0.0000479400000000 ] - [ 0.0003601800000000, -0.0000219300000000, -0.0001278100000000 ] - [ 0.0008426300000000, -0.0015196100000000, 0.0032229100000000 ] - [ 0.0007764500000000, -0.0000174200000000, -0.0002167800000000 ] - [ 0.0009092400000000, -0.0002178900000000, 0.0003932000000000 ] - [ -0.0008668000000000, 0.0000358100000000, 0.0002549100000000 ] - [ 0.0011392700000000, -0.0001824600000000, -0.0007246700000000 ] - [ 0.0005109600000000, 0.0000074300000000, 0.0000093600000000 ] - [ 0.0003556600000000, 0.0002510000000000, -0.0001580000000000 ] - [ 0.0002342900000000, 0.0000354700000000, -0.0000522000000000 ] - [ 0.0005424000000000, 0.0000572600000000, -0.0004301400000000 ] - [ 0.0027132200000000, 0.0004497300000000, 0.0056279200000000 ] - [ -0.0001407900000000, -0.0008370700000000, 0.0026211500000000 ] - [ 0.0004379700000000, -0.0047336700000000, -0.0076734700000000 ] - [ -0.0004594900000000, -0.0001293400000000, 0.0007777000000000 ] - [ 0.0003177500000000, -0.0000358200000000, -0.0002173200000000 ] - [ -0.0027301300000000, -0.0045494900000000, -0.0199769000000000 ] - [ -0.0011060500000000, 0.0006106200000000, 0.0000039800000000 ] - [ 0.0002682700000000, 0.0001428500000000, -0.0010668900000000 ] - [ -0.0036769900000000, 0.0018609500000000, -0.0022852800000000 ] - [ -0.0004131400000000, 0.0001297300000000, 0.0004353500000000 ] - [ -0.0038519900000000, -0.0012837800000000, 0.0025946600000000 ] - [ -0.0010318500000000, -0.0003419200000000, 0.0001817900000000 ] - [ 0.0008634200000000, -0.0012344100000000, 0.0005472500000000 ] - [ -0.0014220800000000, 0.0004370200000000, 0.0025678400000000 ] - [ 0.0027995500000000, -0.0000290600000000, 0.0021625300000000 ] - [ 0.0024232200000000, -0.0011685800000000, -0.0003162200000000 ] - [ -0.0007198300000000, 0.0003051400000000, 0.0008522300000000 ] - [ -0.0001568400000000, -0.0004875300000000, 0.0007607700000000 ] - [ -0.0000031600000000, 0.0004835300000000, 0.0000711300000000 ] - [ -0.0694845300000000, -0.0250662400000000, -0.0992071800000000 ] - [ -0.0072817300000000, 0.0016188800000000, -0.0001545900000000 ] - [ 0.0011437900000000, 0.0008201000000000, 0.0023508000000000 ] - [ -0.0000714600000000, 0.0007759500000000, 0.0038070000000000 ] - [ -0.0005600700000000, 0.0009159800000000, -0.0029369800000000 ] - [ 0.0019915800000000, -0.0019165800000000, 0.0017758300000000 ] - [ -0.0012768000000000, 0.0000141900000000, 0.0020071700000000 ] - [ 0.0009606400000000, 0.0006476300000000, 0.0019816800000000 ] - [ 0.0000176100000000, -0.0005486700000000, 0.0001953800000000 ] - [ -0.0052220300000000, 0.0016474900000000, 0.0006854700000000 ] - [ 0.0094070900000000, -0.0009708100000000, -0.0049941700000000 ] - [ 0.0004465600000000, 0.0005931300000000, 0.0001169800000000 ] - [ 0.0481040800000000, -0.0730670200000000, -0.0857477100000000 ] - [ 0.0015977200000000, 0.0005562900000000, 0.0010230100000000 ] - [ -0.0003600700000000, 0.0002609000000000, 0.0008154000000000 ] - [ -0.0022483100000000, -0.0020844700000000, -0.0021785500000000 ] - [ 0.0005293500000000, -0.0016147900000000, 0.0044947100000000 ] - [ -0.0109990900000000, -0.0068923200000000, -0.0051338100000000 ] - [ 0.0000959000000000, -0.0003639700000000, -0.0001569300000000 ] - [ -0.0002693900000000, -0.0003212500000000, 0.0006690900000000 ] - [ -0.0004616000000000, 0.0009136100000000, 0.0018975200000000 ] - [ 0.0006461400000000, -0.0004019800000000, 0.0043550500000000 ] - [ 0.0011436800000000, 0.0011878100000000, 0.0041627600000000 ] - [ 0.0004672500000000, -0.0006117100000000, 0.0009092300000000 ] - [ -0.0001628400000000, 0.0005537600000000, 0.0005998800000000 ] - [ -0.0006515300000000, -0.0005459700000000, 0.0026928200000000 ] - [ -0.0005947800000000, 0.0001157000000000, 0.0009715300000000 ] - [ 0.0388175200000000, 0.0780480000000000, -0.1138158100000000 ] - [ -0.0001081800000000, 0.0001541400000000, 0.0004765000000000 ] - [ -0.0006188700000000, 0.0001192500000000, -0.0003378800000000 ] - [ -0.0004214600000000, -0.0005429300000000, -0.0001198000000000 ] - [ -0.0002492900000000, -0.0001230200000000, -0.0000551200000000 ] - [ -0.0000137800000000, -0.0001849600000000, 0.0008306500000000 ] - [ -0.0003018400000000, 0.0005712800000000, 0.0000734000000000 ] - [ -0.0005166000000000, 0.0000073000000000, -0.0005431100000000 ] - [ 0.0003086100000000, -0.0004094400000000, -0.0004204400000000 ] - [ -0.0002592100000000, 0.0001653800000000, -0.0002196100000000 ] - [ 0.0001820800000000, 0.0000456500000000, 0.0001474600000000 ] - [ -0.0013860500000000, 0.0003741300000000, 0.0008899800000000 ] - [ -0.0001143900000000, 0.0000275400000000, -0.0004880500000000 ] - [ 0.0013927900000000, -0.0002423200000000, 0.0005584100000000 ] - [ 0.0002310000000000, -0.0006817700000000, 0.0003778600000000 ] - [ 0.0002650100000000, 0.0006698800000000, 0.0004264200000000 ] - [ -0.0000595200000000, 0.0000430100000000, -0.0001994500000000 ] - [ -0.0002046500000000, -0.0000202400000000, -0.0004950100000000 ] - [ 0.0001356900000000, -0.0002271700000000, -0.0000351400000000 ] - [ 0.0001327700000000, -0.0001605500000000, 0.0004366500000000 ] - [ -0.0005033400000000, 0.0009368400000000, 0.0012179000000000 ] - [ -0.0001217600000000, -0.0000260800000000, -0.0001374100000000 ] - [ -0.0006108100000000, -0.0001156900000000, -0.0003477500000000 ] - [ -0.0000009400000000, 0.0001393900000000, -0.0003840200000000 ] - [ -0.0004852900000000, 0.0000467500000000, -0.0002415500000000 ] - [ -0.0001376100000000, 0.0001910200000000, -0.0004767500000000 ] - [ -0.0000075700000000, 0.0002350000000000, 0.0000577800000000 ] - [ -0.0000321900000000, -0.0000404800000000, -0.0002099700000000 ] - [ 0.0001299000000000, -0.0000386600000000, 0.0002260500000000 ] - [ -0.0011642100000000, -0.0015574000000000, -0.0004825600000000 ] - [ 0.0002596600000000, -0.0000783300000000, -0.0002580600000000 ] - [ -0.0000645600000000, -0.0001315700000000, -0.0004261400000000 ] - [ -0.0005300700000000, -0.0001257400000000, 0.0003182800000000 ] - [ -0.0004194700000000, 0.0005430800000000, -0.0001398200000000 ] - [ 0.0001128900000000, 0.0000132300000000, -0.0001921500000000 ] - [ 0.0005216900000000, 0.0005656800000000, 0.0017922400000000 ] - [ -0.0002300500000000, -0.0004544600000000, 0.0000826300000000 ] - [ -0.0005228600000000, -0.0000206400000000, -0.0005036000000000 ] - [ 0.0000936100000000, -0.0000866900000000, -0.0002430600000000 ] - [ 0.0009313700000000, 0.0007969400000000, -0.0015758000000000 ] - [ -0.0021003600000000, -0.0006280500000000, -0.0017651000000000 ] - [ -0.0003565200000000, 0.0005202700000000, 0.0002488100000000 ] - [ -0.0000862900000000, 0.0000259100000000, -0.0001074600000000 ] - [ 0.0000811300000000, 0.0000905400000000, -0.0002315200000000 ] - [ 0.0001358500000000, -0.0003716800000000, -0.0002163600000000 ] - [ 0.0007869600000000, -0.0002774500000000, 0.0013677200000000 ] - [ -0.0002268400000000, 0.0001127900000000, 0.0000059900000000 ] - [ -0.0000210200000000, 0.0000193500000000, -0.0000295200000000 ] - [ -0.0004758000000000, -0.0000416500000000, -0.0002703000000000 ] - [ -0.0005774700000000, 0.0000397100000000, 0.0005870400000000 ]- atom: 22 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0064231000000000, -0.0000711800000000, 0.0031564900000000 ] - [ 0.0010852500000000, -0.0001114700000000, 0.0007464800000000 ] - [ -0.0003206100000000, 0.0000085000000000, -0.0013217700000000 ] - [ 0.0000705700000000, 0.0002351800000000, -0.0000948100000000 ] - [ 0.0010674500000000, 0.0001026100000000, -0.0002780200000000 ] - [ 0.0006249100000000, -0.0001858900000000, 0.0003693800000000 ] - [ 0.0010035800000000, -0.0001039600000000, -0.0002800700000000 ] - [ 0.0003817900000000, 0.0002079700000000, 0.0002504100000000 ] - [ -0.0062590500000000, -0.0020500200000000, 0.0002824000000000 ] - [ 0.0143080500000000, -0.0100789400000000, -0.0191369400000000 ] - [ 0.0042783500000000, -0.0000409000000000, 0.0001350600000000 ] - [ 0.0025942500000000, -0.0002161600000000, 0.0001338300000000 ] - [ 0.0034753600000000, 0.0003993800000000, -0.0002755000000000 ] - [ 0.0035437600000000, -0.0004054000000000, -0.0002358800000000 ] - [ 0.0054620200000000, -0.0007702700000000, 0.0022747600000000 ] - [ 0.0018570900000000, -0.0007298000000000, -0.0013252800000000 ] - [ 0.0026330900000000, 0.0002464500000000, -0.0008223100000000 ] - [ 0.0032186100000000, -0.0010012500000000, 0.0011102700000000 ] - [ 0.0031200000000000, 0.0010599300000000, 0.0003611800000000 ] - [ 0.0007387200000000, 0.0006389500000000, -0.0066794900000000 ] - [ 0.0082936200000000, -0.0001630300000000, -0.0045542800000000 ] - [ -0.3240497100000000, 0.0166492500000000, 0.0100067700000000 ] - [ -0.0141515900000000, -0.0068369900000000, 0.0216440500000000 ] - [ 0.0008440600000000, 0.0013071700000000, 0.0086061700000000 ] - [ 0.0010424800000000, 0.0005845000000000, 0.0010274500000000 ] - [ -0.0247958900000000, 0.0041405800000000, 0.0104958800000000 ] - [ 0.0220945000000000, -0.0113770700000000, -0.0189051100000000 ] - [ -0.0046317000000000, -0.0007225200000000, 0.0001745200000000 ] - [ -0.0026246300000000, 0.0026472800000000, -0.0179364400000000 ] - [ -0.0146817500000000, -0.0101065800000000, -0.0190100800000000 ] - [ 0.0025636100000000, 0.0000375400000000, 0.0010712200000000 ] - [ -0.0081091100000000, 0.0007170100000000, -0.0035978000000000 ] - [ 0.0021948800000000, 0.0001197000000000, 0.0005063300000000 ] - [ 0.0047897700000000, -0.0005030100000000, -0.0002542900000000 ] - [ 0.0016113100000000, 0.0012869900000000, 0.0011927400000000 ] - [ 0.0024591000000000, 0.0012249900000000, 0.0009805800000000 ] - [ 0.0047918400000000, 0.0005690900000000, -0.0000719100000000 ] - [ 0.0028958600000000, -0.0003005400000000, -0.0002130000000000 ] - [ 0.0029182000000000, 0.0006763800000000, 0.0003551000000000 ] - [ 0.0027147100000000, -0.0013360100000000, 0.0008306700000000 ] - [ 0.0046019800000000, -0.0005008600000000, -0.0005958400000000 ] - [ 0.0032726300000000, -0.0001396700000000, -0.0002990200000000 ] - [ 0.0029944700000000, 0.0002818700000000, -0.0005399100000000 ] - [ 0.0028753400000000, -0.0002370300000000, -0.0006747800000000 ] - [ 0.0029063300000000, -0.0007003300000000, 0.0004099100000000 ] - [ 0.0032355800000000, 0.0001306200000000, -0.0002536100000000 ] - [ 0.0027902200000000, -0.0001054200000000, -0.0003341600000000 ] - [ 0.0028533800000000, 0.0002852900000000, -0.0002320200000000 ] - [ -0.0019407700000000, -0.0001074900000000, -0.0010961000000000 ] - [ -0.0003398200000000, -0.0005454500000000, -0.0001899800000000 ] - [ 0.0016789900000000, 0.0015431300000000, 0.0038132200000000 ] - [ -0.0018470100000000, -0.0013302500000000, 0.0087554800000000 ] - [ 0.0069014200000000, -0.0052365600000000, -0.0100842300000000 ] - [ -0.0019872800000000, 0.0000771000000000, -0.0004164600000000 ] - [ -0.0053742300000000, 0.0087023000000000, 0.0071443100000000 ] - [ 0.0038645300000000, -0.0010918100000000, -0.0005332400000000 ] - [ -0.0008707000000000, 0.0002434900000000, 0.0006550300000000 ] - [ 0.0014595700000000, -0.0008270600000000, 0.0016158900000000 ] - [ -0.0012443900000000, -0.0002904700000000, -0.0003175400000000 ] - [ -0.0090586700000000, -0.0022084800000000, -0.0015588800000000 ] - [ -0.0007594200000000, -0.0010620500000000, 0.0001169100000000 ] - [ -0.0004898100000000, 0.0007553800000000, 0.0006551600000000 ] - [ -0.0007477600000000, -0.0000973700000000, 0.0043660100000000 ] - [ -0.0014058800000000, 0.0003893000000000, -0.0007820600000000 ] - [ 0.0406193900000000, 0.0140185500000000, 0.0093135100000000 ] - [ 0.0022773500000000, 0.0026441500000000, 0.0026621400000000 ] - [ -0.0010592100000000, 0.0016710600000000, 0.0018222200000000 ] - [ -0.0039465900000000, 0.0001038100000000, -0.0008912100000000 ] - [ -0.0013469100000000, 0.0000153800000000, 0.0004095100000000 ] - [ 0.0038255500000000, 0.0003529500000000, -0.0028019700000000 ] - [ 0.0001762400000000, -0.0002433100000000, -0.0002201000000000 ] - [ 0.0193929900000000, -0.0003335100000000, 0.0048843200000000 ] - [ 0.0052291700000000, -0.0033953600000000, 0.0012139600000000 ] - [ -0.0017144700000000, 0.0004926400000000, -0.0106075600000000 ] - [ -0.0005664600000000, -0.0002461000000000, 0.0000463100000000 ] - [ -0.0000309000000000, -0.0012594200000000, -0.0025580800000000 ] - [ 0.1764514800000000, -0.0728189600000000, 0.0379008000000000 ] - [ 0.0010503400000000, -0.0017265900000000, 0.0051488200000000 ] - [ 0.0036317000000000, 0.0024337300000000, 0.0000215800000000 ] - [ -0.0050402600000000, 0.0021864300000000, 0.0016815800000000 ] - [ 0.0043260900000000, 0.0014727800000000, 0.0016633900000000 ] - [ -0.0012514000000000, -0.0003293300000000, 0.0019790800000000 ] - [ 0.0850158200000000, 0.0673622700000000, -0.0471115800000000 ] - [ -0.0012000400000000, 0.0003701300000000, -0.0013712100000000 ] - [ -0.0012409000000000, -0.0009246500000000, 0.0008128700000000 ] - [ -0.0000890300000000, 0.0001512500000000, -0.0017750400000000 ] - [ -0.0011714300000000, -0.0000581300000000, -0.0006935700000000 ] - [ 0.0035683100000000, 0.0001253400000000, -0.0010319100000000 ] - [ -0.0006607600000000, -0.0000392100000000, -0.0000822700000000 ] - [ -0.0007968100000000, 0.0000718200000000, -0.0008768000000000 ] - [ 0.0100051200000000, -0.0031252600000000, 0.0049380700000000 ] - [ -0.0022517300000000, 0.0010221600000000, 0.0054542000000000 ] - [ 0.0012425200000000, 0.0009533900000000, -0.0045631600000000 ] - [ 0.0066287800000000, 0.0046829700000000, 0.0135590300000000 ] - [ -0.0045905600000000, -0.0011566100000000, 0.0013658500000000 ] - [ 0.0017786800000000, 0.0015799500000000, 0.0003342700000000 ] - [ -0.0016614400000000, -0.0000171100000000, -0.0002014100000000 ] - [ -0.0017859600000000, -0.0012881700000000, 0.0002166200000000 ] - [ -0.0009978100000000, -0.0001330200000000, -0.0000837900000000 ] - [ -0.0010995100000000, 0.0002275800000000, 0.0005844100000000 ] - [ -0.0016289200000000, 0.0012028100000000, 0.0007666300000000 ] - [ -0.0015655400000000, -0.0002494200000000, -0.0012150400000000 ] - [ -0.0017680300000000, 0.0007314500000000, 0.0004939300000000 ] - [ -0.0008894600000000, 0.0003142500000000, -0.0000084500000000 ] - [ -0.0003204300000000, 0.0003053100000000, -0.0004277400000000 ] - [ -0.0023300800000000, 0.0006876400000000, -0.0000906200000000 ] - [ -0.0007250100000000, -0.0003322700000000, -0.0006478600000000 ] - [ -0.0025607100000000, -0.0006835800000000, -0.0002113400000000 ] - [ -0.0008882900000000, -0.0008452600000000, 0.0002559400000000 ] - [ -0.0003924700000000, 0.0009236900000000, 0.0005013500000000 ] - [ -0.0008528200000000, 0.0000244100000000, -0.0000883800000000 ] - [ -0.0021141900000000, 0.0002085400000000, -0.0003133000000000 ] - [ -0.0010206500000000, -0.0007367100000000, -0.0000216700000000 ] - [ -0.0015712000000000, -0.0011620400000000, 0.0007456700000000 ] - [ -0.0008176800000000, 0.0006157800000000, 0.0001185400000000 ] - [ -0.0026705400000000, -0.0000273600000000, -0.0009013300000000 ] - [ -0.0014975600000000, 0.0000946300000000, -0.0003871100000000 ] - [ -0.0018152700000000, 0.0000425600000000, -0.0009240300000000 ] - [ -0.0019328800000000, 0.0006466600000000, -0.0000234700000000 ] - [ -0.0016415700000000, -0.0002306700000000, -0.0008575400000000 ] - [ -0.0010163300000000, 0.0007400100000000, -0.0000149800000000 ] - [ -0.0008863600000000, -0.0000213900000000, -0.0000621400000000 ] - [ -0.0011108300000000, -0.0000849300000000, 0.0012186300000000 ] - [ -0.0011340700000000, -0.0009614600000000, 0.0006271900000000 ] - [ -0.0011810100000000, 0.0004235500000000, -0.0003285500000000 ] - [ -0.0018700500000000, -0.0000511300000000, -0.0009786700000000 ] - [ -0.0017276700000000, -0.0007216600000000, 0.0004985300000000 ] - [ -0.0018921500000000, 0.0013409200000000, 0.0001620400000000 ] - [ -0.0011550200000000, -0.0004153800000000, -0.0003275100000000 ] - [ -0.0016768300000000, -0.0003058100000000, 0.0004333100000000 ] - [ -0.0013465400000000, -0.0007579900000000, 0.0004440100000000 ] - [ -0.0014923000000000, 0.0000145900000000, -0.0006054300000000 ] - [ -0.0009090200000000, -0.0005361900000000, -0.0000642200000000 ] - [ -0.0009592800000000, -0.0007122700000000, 0.0001356900000000 ] - [ -0.0019476100000000, 0.0003983400000000, 0.0005943900000000 ] - [ -0.0013339200000000, 0.0007551800000000, 0.0004527100000000 ] - [ -0.0020322300000000, 0.0000609900000000, -0.0006191300000000 ] - [ -0.0011128000000000, 0.0005683000000000, 0.0001054300000000 ] - [ -0.0016179200000000, 0.0002282700000000, -0.0008506200000000 ] - [ -0.0011588500000000, 0.0010657200000000, 0.0004326500000000 ] - [ -0.0010094200000000, 0.0001334000000000, -0.0000566300000000 ] - [ -0.0008913100000000, -0.0003264500000000, -0.0000318100000000 ] - [ -0.0019955200000000, -0.0006763000000000, -0.0001003700000000 ] - [ -0.0011015300000000, -0.0002089900000000, 0.0006855600000000 ]- atom: 22 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0065262000000000, 0.0003107000000000, -0.0038083400000000 ] - [ -0.0017725000000000, -0.0004071200000000, -0.0004186700000000 ] - [ 0.0002982000000000, -0.0002441500000000, 0.0007268300000000 ] - [ -0.0007512500000000, 0.0002821700000000, 0.0004298700000000 ] - [ -0.0010946000000000, 0.0001340600000000, -0.0003196200000000 ] - [ -0.0013079100000000, -0.0003324900000000, -0.0000366400000000 ] - [ -0.0010310200000000, -0.0001333900000000, -0.0003175400000000 ] - [ -0.0010665300000000, 0.0003099900000000, 0.0000817300000000 ] - [ 0.0064872700000000, 0.0023537900000000, -0.0009718600000000 ] - [ -0.0140912900000000, 0.0098642500000000, 0.0185299700000000 ] - [ -0.0044629800000000, 0.0005505600000000, 0.0000650700000000 ] - [ -0.0027668700000000, -0.0002918900000000, 0.0000667800000000 ] - [ -0.0032484500000000, -0.0000953700000000, -0.0004240700000000 ] - [ -0.0033161800000000, 0.0001014600000000, -0.0004634800000000 ] - [ -0.0056238400000000, 0.0012736500000000, -0.0020604000000000 ] - [ -0.0020485800000000, 0.0002158000000000, 0.0015177700000000 ] - [ -0.0026525500000000, -0.0003473200000000, 0.0007329700000000 ] - [ -0.0019545700000000, -0.0006153400000000, -0.0002851300000000 ] - [ -0.0018556800000000, 0.0005561100000000, 0.0004696100000000 ] - [ -0.0013370700000000, 0.0004994700000000, 0.0082818500000000 ] - [ -0.0074888200000000, 0.0001176900000000, 0.0042670500000000 ] - [ 0.3323281300000000, -0.0206640400000000, -0.0105461100000000 ] - [ 0.0148663500000000, 0.0066699900000000, -0.0217740000000000 ] - [ -0.0014133300000000, -0.0024449300000000, -0.0068790200000000 ] - [ -0.0001745900000000, -0.0005436000000000, -0.0013558500000000 ] - [ 0.0252639100000000, -0.0045134300000000, -0.0100995300000000 ] - [ -0.0217791800000000, 0.0118249400000000, 0.0186587900000000 ] - [ 0.0046578700000000, 0.0000428400000000, -0.0002055100000000 ] - [ 0.0031517100000000, -0.0025214200000000, 0.0177217000000000 ] - [ 0.0152319900000000, 0.0104058000000000, 0.0194190400000000 ] - [ -0.0025816800000000, 0.0000607500000000, -0.0011750200000000 ] - [ 0.0082107200000000, -0.0008931200000000, 0.0031316200000000 ] - [ -0.0022150100000000, -0.0002198100000000, -0.0006001600000000 ] - [ -0.0035146500000000, -0.0011110200000000, 0.0010725500000000 ] - [ -0.0003575200000000, 0.0003318200000000, -0.0003589200000000 ] - [ -0.0030215500000000, -0.0000738200000000, 0.0006849300000000 ] - [ -0.0039525400000000, -0.0006172600000000, -0.0002556500000000 ] - [ -0.0027810600000000, 0.0004674900000000, -0.0002542100000000 ] - [ -0.0025114800000000, -0.0008350200000000, -0.0005564200000000 ] - [ -0.0032794000000000, 0.0001857700000000, 0.0008359300000000 ] - [ -0.0037651000000000, 0.0005496700000000, 0.0002647600000000 ] - [ -0.0025711800000000, -0.0002988600000000, 0.0006769200000000 ] - [ -0.0029191400000000, 0.0004099600000000, 0.0004932500000000 ] - [ -0.0027991300000000, -0.0004552000000000, 0.0006294700000000 ] - [ -0.0024994200000000, 0.0008585500000000, -0.0006101600000000 ] - [ -0.0025339900000000, 0.0003079100000000, 0.0006306800000000 ] - [ -0.0028079200000000, 0.0002058900000000, 0.0002334000000000 ] - [ -0.0027384700000000, -0.0004525000000000, -0.0002351300000000 ] - [ 0.0008973100000000, 0.0003756600000000, 0.0004085800000000 ] - [ -0.0002393000000000, -0.0003972800000000, -0.0001301600000000 ] - [ -0.0020503200000000, -0.0017834700000000, -0.0038532300000000 ] - [ 0.0013535800000000, 0.0010775800000000, -0.0075415400000000 ] - [ -0.0065232000000000, 0.0056219500000000, 0.0104236100000000 ] - [ 0.0011452300000000, -0.0000252000000000, -0.0005628400000000 ] - [ 0.0055258600000000, -0.0093071800000000, -0.0071154200000000 ] - [ -0.0039712900000000, 0.0011853400000000, 0.0002473500000000 ] - [ 0.0013476300000000, -0.0001935800000000, -0.0003188100000000 ] - [ -0.0024947200000000, 0.0011924500000000, -0.0009008400000000 ] - [ 0.0011458900000000, 0.0004054400000000, -0.0006565700000000 ] - [ 0.0079714900000000, 0.0018319500000000, 0.0022521600000000 ] - [ 0.0014229200000000, -0.0002424100000000, 0.0006964300000000 ] - [ 0.0011514700000000, 0.0005512900000000, 0.0001540600000000 ] - [ 0.0007875100000000, 0.0001828100000000, -0.0047838100000000 ] - [ 0.0013085600000000, -0.0005049700000000, -0.0001882900000000 ] - [ -0.0402753500000000, -0.0140678900000000, -0.0089308100000000 ] - [ -0.0019369100000000, -0.0030270100000000, -0.0022903700000000 ] - [ 0.0013213000000000, -0.0008613400000000, -0.0019221200000000 ] - [ 0.0041622500000000, -0.0001528200000000, 0.0007684600000000 ] - [ 0.0002994500000000, -0.0002830500000000, -0.0011089300000000 ] - [ -0.0036247000000000, -0.0000986600000000, 0.0020536300000000 ] - [ -0.0008640800000000, 0.0002165000000000, -0.0003332900000000 ] - [ -0.0190820700000000, 0.0010534900000000, -0.0054322400000000 ] - [ -0.0048882200000000, 0.0037597500000000, -0.0012103300000000 ] - [ 0.0016934200000000, -0.0004741500000000, 0.0102546600000000 ] - [ 0.0010407000000000, 0.0001962300000000, 0.0002945100000000 ] - [ 0.0001004000000000, 0.0002408700000000, 0.0032593800000000 ] - [ -0.1836255400000000, 0.0785626900000000, -0.0406841300000000 ] - [ -0.0008017400000000, 0.0014556800000000, -0.0059096300000000 ] - [ -0.0036931900000000, -0.0019840300000000, -0.0001575000000000 ] - [ 0.0044941600000000, -0.0012378000000000, -0.0020222800000000 ] - [ -0.0037072000000000, -0.0012960000000000, -0.0020917500000000 ] - [ 0.0008906000000000, 0.0010290400000000, -0.0004439500000000 ] - [ -0.0862539500000000, -0.0702080000000000, 0.0493311600000000 ] - [ 0.0003515200000000, -0.0004248100000000, 0.0003990300000000 ] - [ 0.0016262300000000, 0.0008396100000000, -0.0013422600000000 ] - [ 0.0003531800000000, -0.0009464300000000, 0.0016478100000000 ] - [ 0.0008047600000000, -0.0006418000000000, 0.0022076700000000 ] - [ -0.0039650600000000, 0.0007971300000000, 0.0013033900000000 ] - [ 0.0008572200000000, 0.0000864600000000, -0.0000468000000000 ] - [ 0.0011779700000000, 0.0000199900000000, 0.0003595100000000 ] - [ -0.0096675200000000, 0.0024677800000000, -0.0055341600000000 ] - [ 0.0023096800000000, -0.0000070800000000, -0.0046860400000000 ] - [ -0.0016302800000000, -0.0006655200000000, 0.0045162200000000 ] - [ -0.0066231800000000, -0.0047113100000000, -0.0138940700000000 ] - [ 0.0039340700000000, 0.0011780600000000, -0.0019363000000000 ] - [ -0.0022373500000000, -0.0012982100000000, 0.0008048000000000 ] - [ 0.0006153400000000, 0.0002856300000000, -0.0004919000000000 ] - [ 0.0012147200000000, 0.0003500800000000, -0.0005376400000000 ] - [ 0.0006661300000000, -0.0001017900000000, 0.0000404200000000 ] - [ 0.0006230200000000, -0.0005006800000000, 0.0005643700000000 ] - [ 0.0019027400000000, -0.0007601600000000, -0.0003507000000000 ] - [ 0.0007192200000000, 0.0003020500000000, 0.0002379100000000 ] - [ 0.0016838200000000, -0.0011734100000000, -0.0006189000000000 ] - [ 0.0007573100000000, -0.0001906200000000, -0.0003082200000000 ] - [ 0.0007984600000000, -0.0002549900000000, 0.0007598800000000 ] - [ 0.0012671900000000, -0.0003098900000000, 0.0007927600000000 ] - [ 0.0006308600000000, 0.0004471900000000, -0.0003260100000000 ] - [ 0.0014998700000000, 0.0003062000000000, 0.0009146800000000 ] - [ 0.0015491300000000, -0.0004588300000000, 0.0005560200000000 ] - [ 0.0010568000000000, 0.0003820400000000, 0.0003099400000000 ] - [ 0.0009173500000000, 0.0000621100000000, -0.0003425500000000 ] - [ 0.0020121900000000, -0.0003254500000000, -0.0006568600000000 ] - [ 0.0013526600000000, 0.0003766600000000, 0.0000310500000000 ] - [ 0.0018445900000000, 0.0007190400000000, -0.0003293400000000 ] - [ 0.0010764600000000, 0.0001877400000000, -0.0002292200000000 ] - [ 0.0028735900000000, -0.0000188300000000, 0.0007773800000000 ] - [ 0.0004520900000000, -0.0003623500000000, -0.0003081800000000 ] - [ 0.0020923900000000, 0.0002426000000000, 0.0002154600000000 ] - [ 0.0012555600000000, -0.0006763800000000, -0.0005254400000000 ] - [ 0.0019679500000000, 0.0008948500000000, 0.0002637300000000 ] - [ 0.0013481700000000, -0.0003795800000000, 0.0000243700000000 ] - [ 0.0009504100000000, -0.0000648500000000, -0.0003678500000000 ] - [ 0.0015844200000000, 0.0000368200000000, -0.0008737000000000 ] - [ 0.0011961000000000, -0.0000561600000000, 0.0000956500000000 ] - [ 0.0018001800000000, -0.0006006500000000, -0.0001006900000000 ] - [ 0.0021460900000000, -0.0002341100000000, 0.0002696700000000 ] - [ 0.0016436000000000, 0.0011634700000000, -0.0006240700000000 ] - [ 0.0013200100000000, -0.0004024600000000, -0.0004833100000000 ] - [ 0.0017747200000000, 0.0005925800000000, -0.0001022800000000 ] - [ 0.0013051000000000, 0.0010024000000000, 0.0010897700000000 ] - [ 0.0009462800000000, -0.0001606400000000, -0.0001680700000000 ] - [ 0.0006473300000000, -0.0000687600000000, -0.0003671600000000 ] - [ 0.0012933600000000, 0.0004478100000000, -0.0004595700000000 ] - [ 0.0012190500000000, -0.0000906900000000, -0.0002463200000000 ] - [ 0.0015782600000000, -0.0010957000000000, 0.0009273500000000 ] - [ 0.0009335100000000, 0.0001633100000000, -0.0001769000000000 ] - [ 0.0022413800000000, -0.0000140800000000, 0.0004967800000000 ] - [ 0.0014960400000000, -0.0004800900000000, -0.0006284300000000 ] - [ 0.0019445500000000, -0.0008926400000000, 0.0002573700000000 ] - [ 0.0012209700000000, -0.0000488700000000, 0.0002913700000000 ] - [ 0.0006770300000000, 0.0001018200000000, 0.0000132700000000 ] - [ 0.0007591700000000, 0.0002030200000000, -0.0002842800000000 ] - [ 0.0013175700000000, 0.0007056600000000, -0.0004489200000000 ] - [ 0.0006251600000000, 0.0004818400000000, 0.0004622900000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030025400000000, -0.0019211200000000, -0.0019818500000000 ] - [ -0.0005827500000000, -0.0001671000000000, 0.0000224000000000 ] - [ 0.0002672900000000, 0.0000719900000000, -0.0003855200000000 ] - [ -0.0002220400000000, 0.0002300100000000, 0.0001660300000000 ] - [ -0.0001695400000000, 0.0001205200000000, -0.0003051000000000 ] - [ -0.0005083000000000, -0.0002741300000000, 0.0001085400000000 ] - [ -0.0001349200000000, -0.0001200400000000, -0.0002956900000000 ] - [ -0.0004033700000000, 0.0002629100000000, 0.0001841900000000 ] - [ -0.0002748600000000, -0.0008489700000000, -0.0017722600000000 ] - [ -0.0067972600000000, 0.0280612300000000, 0.0079029300000000 ] - [ -0.0007745300000000, 0.0003165700000000, 0.0001408000000000 ] - [ -0.0003655000000000, -0.0002423100000000, 0.0000475800000000 ] - [ -0.0003304200000000, 0.0001194900000000, -0.0003508600000000 ] - [ -0.0003455200000000, -0.0001168600000000, -0.0003735900000000 ] - [ -0.0015180000000000, 0.0008058000000000, -0.0011640600000000 ] - [ -0.0000734900000000, -0.0000862700000000, 0.0007577400000000 ] - [ -0.0001701900000000, -0.0000576900000000, 0.0002675100000000 ] - [ 0.0002502600000000, -0.0007795600000000, 0.0002847300000000 ] - [ 0.0003473000000000, 0.0007818400000000, 0.0004528200000000 ] - [ -0.0003425200000000, 0.0022673600000000, 0.0030707400000000 ] - [ -0.0003764000000000, -0.0022005400000000, 0.0023186000000000 ] - [ 0.0221159400000000, -0.3243291300000000, 0.0087849100000000 ] - [ 0.0144374900000000, 0.0267474600000000, 0.0087381900000000 ] - [ 0.0018190600000000, -0.0037333000000000, -0.0016889200000000 ] - [ 0.0005187300000000, 0.0003301500000000, -0.0006382100000000 ] - [ 0.0142496400000000, 0.0150973700000000, 0.0050535700000000 ] - [ -0.0125162300000000, 0.0175607300000000, 0.0107302200000000 ] - [ 0.0013050600000000, -0.0015212500000000, 0.0006147300000000 ] - [ 0.0077892300000000, -0.0047111900000000, -0.0116529500000000 ] - [ -0.0078562100000000, -0.0254589400000000, -0.0056313200000000 ] - [ -0.0005358700000000, -0.0001024800000000, -0.0004127900000000 ] - [ -0.0007802900000000, 0.0012092900000000, 0.0002987400000000 ] - [ -0.0001213400000000, -0.0000682200000000, -0.0001944000000000 ] - [ -0.0001204400000000, -0.0014935300000000, 0.0008246800000000 ] - [ 0.0010263800000000, 0.0007575700000000, 0.0004837300000000 ] - [ -0.0006417200000000, 0.0004905100000000, 0.0007926800000000 ] - [ -0.0001839100000000, -0.0001256900000000, -0.0002918500000000 ] - [ -0.0003232600000000, 0.0001371400000000, -0.0002372200000000 ] - [ -0.0001640300000000, -0.0001768300000000, -0.0001560400000000 ] - [ -0.0006860900000000, -0.0004742800000000, 0.0008534300000000 ] - [ -0.0001319100000000, 0.0000877400000000, -0.0000305600000000 ] - [ -0.0000369300000000, -0.0002270100000000, 0.0002560200000000 ] - [ -0.0003658200000000, 0.0003513600000000, 0.0000447500000000 ] - [ -0.0003277200000000, -0.0003600100000000, 0.0000657800000000 ] - [ -0.0001483000000000, 0.0001849100000000, -0.0001726100000000 ] - [ -0.0000337400000000, 0.0002289900000000, 0.0002447200000000 ] - [ -0.0004905600000000, 0.0000920900000000, 0.0000947300000000 ] - [ -0.0003080700000000, -0.0001317400000000, -0.0002319400000000 ] - [ -0.0000491100000000, 0.0001468200000000, -0.0000272800000000 ] - [ -0.0006601800000000, -0.0009094700000000, 0.0001130800000000 ] - [ -0.0023545600000000, -0.0037746700000000, 0.0008476500000000 ] - [ 0.0020831500000000, -0.0006053000000000, -0.0040745000000000 ] - [ -0.0044584000000000, 0.0000175400000000, 0.0007734800000000 ] - [ -0.0000966100000000, -0.0000794200000000, -0.0007556700000000 ] - [ 0.0042860900000000, 0.0006552600000000, -0.0034242100000000 ] - [ -0.0016494100000000, 0.0006034700000000, -0.0043863600000000 ] - [ 0.0003746100000000, 0.0000115000000000, 0.0000654900000000 ] - [ -0.0015036500000000, 0.0007819200000000, -0.0003835100000000 ] - [ 0.0000734100000000, 0.0000930200000000, -0.0005091700000000 ] - [ 0.0051314900000000, -0.0002327900000000, 0.0011078900000000 ] - [ 0.0005018100000000, -0.0005868400000000, 0.0004600900000000 ] - [ 0.0004188000000000, 0.0006454300000000, 0.0003640700000000 ] - [ -0.0020588300000000, -0.0003134200000000, 0.0016490500000000 ] - [ 0.0001668500000000, -0.0001247400000000, -0.0004369400000000 ] - [ 0.0110381300000000, 0.0868345100000000, 0.0797292800000000 ] - [ -0.0001781500000000, 0.0034601100000000, 0.0030368100000000 ] - [ 0.0004623700000000, -0.0002698400000000, -0.0007345300000000 ] - [ 0.0007775800000000, 0.0001763200000000, -0.0001126700000000 ] - [ -0.0006327500000000, -0.0000714500000000, -0.0005248900000000 ] - [ -0.0012088300000000, -0.0018309200000000, -0.0006732000000000 ] - [ -0.0004363500000000, 0.0000834600000000, -0.0001353600000000 ] - [ -0.0105605500000000, -0.0089063900000000, -0.0113521500000000 ] - [ 0.0009810600000000, -0.0013131500000000, -0.0001394700000000 ] - [ -0.0027766100000000, -0.0061353900000000, -0.0002167600000000 ] - [ 0.0003486100000000, 0.0000158100000000, 0.0002253700000000 ] - [ -0.0004348400000000, -0.0000367600000000, 0.0011596900000000 ] - [ -0.0881876700000000, 0.0746510700000000, -0.0253246500000000 ] - [ -0.0011748700000000, 0.0023675300000000, -0.0026321600000000 ] - [ -0.0002059000000000, 0.0002589200000000, -0.0004139200000000 ] - [ -0.0006232400000000, 0.0003135500000000, -0.0004898500000000 ] - [ 0.0007492500000000, 0.0003211600000000, 0.0001777800000000 ] - [ 0.0001447700000000, 0.0003972500000000, 0.0002755600000000 ] - [ 0.0669396500000000, 0.1149682300000000, -0.0682708500000000 ] - [ -0.0003546300000000, -0.0001241700000000, -0.0002499800000000 ] - [ 0.0002775500000000, 0.0001760700000000, -0.0005802100000000 ] - [ -0.0004097400000000, -0.0005565100000000, 0.0006701600000000 ] - [ -0.0006758800000000, -0.0000552200000000, 0.0011597200000000 ] - [ 0.0000474800000000, 0.0001307900000000, 0.0001765800000000 ] - [ 0.0000361600000000, 0.0000020400000000, -0.0000480200000000 ] - [ 0.0002792300000000, 0.0001826200000000, -0.0000154000000000 ] - [ 0.0015680300000000, 0.0003309700000000, 0.0017013700000000 ] - [ -0.0000409800000000, -0.0000186100000000, -0.0010393100000000 ] - [ -0.0027404700000000, -0.0001681300000000, -0.0015311900000000 ] - [ -0.0035649300000000, 0.0115012300000000, 0.0129256300000000 ] - [ 0.0027307000000000, 0.0008908500000000, -0.0026392900000000 ] - [ -0.0008851100000000, -0.0005847500000000, 0.0000800000000000 ] - [ -0.0003392200000000, 0.0001441500000000, -0.0003937000000000 ] - [ -0.0000950600000000, -0.0003641600000000, -0.0002222900000000 ] - [ -0.0000601800000000, -0.0001163500000000, -0.0000082300000000 ] - [ -0.0001223700000000, -0.0001845700000000, 0.0005745700000000 ] - [ 0.0003736000000000, 0.0000898800000000, 0.0001302100000000 ] - [ -0.0003082000000000, 0.0001094900000000, -0.0002901300000000 ] - [ 0.0001902700000000, -0.0003488600000000, -0.0001369000000000 ] - [ 0.0000418800000000, 0.0000279300000000, -0.0001770900000000 ] - [ 0.0001646000000000, -0.0000068500000000, 0.0004300300000000 ] - [ -0.0003081200000000, 0.0001217500000000, 0.0004091800000000 ] - [ -0.0001182900000000, 0.0000646400000000, -0.0005126500000000 ] - [ -0.0002446800000000, -0.0001201000000000, 0.0004285700000000 ] - [ 0.0005418500000000, -0.0006573400000000, 0.0004909700000000 ] - [ 0.0003322600000000, 0.0006557500000000, 0.0002665300000000 ] - [ 0.0001424900000000, 0.0000448900000000, -0.0002332700000000 ] - [ 0.0005209400000000, 0.0000386100000000, -0.0006230200000000 ] - [ 0.0003251400000000, -0.0001062000000000, 0.0000085200000000 ] - [ 0.0003646200000000, -0.0000956100000000, 0.0001367800000000 ] - [ 0.0002456100000000, 0.0003809000000000, -0.0000702800000000 ] - [ 0.0006090200000000, -0.0000342500000000, 0.0000905100000000 ] - [ -0.0004332600000000, -0.0001654300000000, -0.0003205100000000 ] - [ 0.0003937900000000, 0.0001575100000000, -0.0002848500000000 ] - [ -0.0001320200000000, -0.0001013400000000, -0.0003260900000000 ] - [ 0.0004025100000000, 0.0004048000000000, -0.0002226200000000 ] - [ 0.0003210200000000, 0.0001071200000000, 0.0000065000000000 ] - [ 0.0001575000000000, -0.0000463700000000, -0.0002366100000000 ] - [ 0.0005078000000000, 0.0000083100000000, -0.0001898700000000 ] - [ 0.0001768400000000, -0.0004592100000000, 0.0003127900000000 ] - [ 0.0005106500000000, -0.0001572500000000, -0.0002010000000000 ] - [ 0.0004072200000000, -0.0001524700000000, -0.0002640500000000 ] - [ 0.0001762300000000, 0.0003425300000000, -0.0001337100000000 ] - [ -0.0000562400000000, 0.0003460800000000, -0.0001878100000000 ] - [ 0.0005010900000000, 0.0001541200000000, -0.0002030200000000 ] - [ 0.0000101000000000, 0.0004332200000000, 0.0008233200000000 ] - [ -0.0000467400000000, -0.0004198300000000, 0.0001011000000000 ] - [ -0.0002635900000000, -0.0000072900000000, -0.0005501400000000 ] - [ 0.0002884300000000, 0.0000059800000000, -0.0002565300000000 ] - [ 0.0002838700000000, -0.0003521700000000, -0.0000932100000000 ] - [ 0.0000561700000000, -0.0004481900000000, 0.0007662900000000 ] - [ -0.0000498600000000, 0.0004203200000000, 0.0000965400000000 ] - [ 0.0003257900000000, 0.0000203800000000, -0.0000415800000000 ] - [ 0.0004026700000000, -0.0000379200000000, -0.0003360000000000 ] - [ 0.0003994800000000, -0.0004054900000000, -0.0002239800000000 ] - [ 0.0001971900000000, 0.0004233100000000, 0.0003676300000000 ] - [ -0.0000509200000000, 0.0001153200000000, -0.0000191700000000 ] - [ 0.0000445200000000, -0.0000242600000000, -0.0001714700000000 ] - [ -0.0001169800000000, 0.0001107700000000, -0.0002778900000000 ] - [ -0.0001257000000000, 0.0001793400000000, 0.0005526100000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029920700000000, 0.0021652900000000, 0.0013887700000000 ] - [ -0.0000982400000000, -0.0003514000000000, 0.0003103700000000 ] - [ -0.0003006600000000, -0.0003078400000000, -0.0002126200000000 ] - [ -0.0004609800000000, 0.0002876300000000, 0.0001673100000000 ] - [ 0.0001445900000000, 0.0001161400000000, -0.0002924000000000 ] - [ -0.0001735500000000, -0.0002441900000000, 0.0002240500000000 ] - [ 0.0001102400000000, -0.0001172200000000, -0.0003015300000000 ] - [ -0.0002785800000000, 0.0002547100000000, 0.0001491800000000 ] - [ 0.0004609000000000, 0.0011449200000000, 0.0011031500000000 ] - [ 0.0067691600000000, -0.0283864600000000, -0.0086087500000000 ] - [ 0.0006046200000000, 0.0001920400000000, 0.0000589900000000 ] - [ 0.0001957300000000, -0.0002661800000000, 0.0001533200000000 ] - [ 0.0005654400000000, 0.0001849200000000, -0.0003487600000000 ] - [ 0.0005811100000000, -0.0001875100000000, -0.0003261700000000 ] - [ 0.0013569100000000, -0.0002995700000000, 0.0013625200000000 ] - [ -0.0001022900000000, -0.0004230500000000, -0.0005543900000000 ] - [ 0.0001559800000000, -0.0000417300000000, -0.0003645500000000 ] - [ 0.0010204900000000, -0.0008375300000000, 0.0005440900000000 ] - [ 0.0009223100000000, 0.0008349900000000, 0.0003762200000000 ] - [ -0.0002373100000000, -0.0011257700000000, -0.0014204100000000 ] - [ 0.0012236400000000, 0.0021563000000000, -0.0026627700000000 ] - [ -0.0150987400000000, 0.3283633100000000, -0.0084257800000000 ] - [ -0.0139603300000000, -0.0269182400000000, -0.0089498700000000 ] - [ -0.0023618600000000, 0.0025749100000000, 0.0033694600000000 ] - [ 0.0003326000000000, -0.0002840500000000, 0.0003208400000000 ] - [ -0.0133773100000000, -0.0153972900000000, -0.0044602900000000 ] - [ 0.0127997300000000, -0.0170416800000000, -0.0108710600000000 ] - [ -0.0012486600000000, 0.0008212100000000, -0.0006211700000000 ] - [ -0.0073672900000000, 0.0048499200000000, 0.0113560600000000 ] - [ 0.0083848900000000, 0.0256882600000000, 0.0059806400000000 ] - [ 0.0005262000000000, 0.0002028100000000, 0.0003183000000000 ] - [ 0.0008308100000000, -0.0013704600000000, -0.0007211400000000 ] - [ 0.0001103200000000, -0.0000314100000000, 0.0001001300000000 ] - [ 0.0013881100000000, -0.0001220000000000, -0.0000057700000000 ] - [ 0.0002451800000000, 0.0008605900000000, 0.0003537000000000 ] - [ 0.0000840400000000, 0.0006626900000000, 0.0008737400000000 ] - [ 0.0010325700000000, 0.0000780000000000, -0.0000389700000000 ] - [ 0.0004455100000000, 0.0000296500000000, -0.0002298500000000 ] - [ 0.0005766700000000, 0.0000198900000000, -0.0000435300000000 ] - [ 0.0001278100000000, -0.0006792100000000, 0.0008124400000000 ] - [ 0.0009784400000000, -0.0000398900000000, -0.0003000900000000 ] - [ 0.0007454600000000, -0.0002101300000000, 0.0001201100000000 ] - [ 0.0004476100000000, 0.0003396500000000, -0.0000916800000000 ] - [ 0.0004094300000000, -0.0003310300000000, -0.0001122100000000 ] - [ 0.0005615600000000, -0.0000283800000000, -0.0000262700000000 ] - [ 0.0007422300000000, 0.0002081600000000, 0.0001311000000000 ] - [ 0.0004765900000000, 0.0000079300000000, -0.0001922500000000 ] - [ 0.0004302900000000, -0.0000351100000000, -0.0002350200000000 ] - [ -0.0010016500000000, 0.0001224100000000, -0.0006671300000000 ] - [ 0.0000889400000000, -0.0000280700000000, -0.0004390000000000 ] - [ 0.0019995800000000, 0.0035056800000000, -0.0008424600000000 ] - [ -0.0025708600000000, 0.0003470000000000, 0.0052541000000000 ] - [ 0.0047121100000000, 0.0004204200000000, -0.0003736700000000 ] - [ -0.0007521500000000, 0.0001330700000000, -0.0002192100000000 ] - [ -0.0042482600000000, -0.0013270800000000, 0.0033670100000000 ] - [ 0.0015132300000000, -0.0004801100000000, 0.0040169800000000 ] - [ 0.0000999200000000, 0.0000376700000000, 0.0002733300000000 ] - [ 0.0004450400000000, -0.0004047200000000, 0.0010825700000000 ] - [ -0.0001733300000000, 0.0000224000000000, -0.0004637600000000 ] - [ -0.0061917900000000, -0.0001303300000000, -0.0004057000000000 ] - [ 0.0001589400000000, -0.0007180200000000, 0.0003518400000000 ] - [ 0.0002422400000000, 0.0006597300000000, 0.0004473400000000 ] - [ 0.0021042900000000, 0.0003918700000000, -0.0020521100000000 ] - [ -0.0002674800000000, 0.0000093500000000, -0.0005354300000000 ] - [ -0.0110381100000000, -0.0891719300000000, -0.0836815700000000 ] - [ 0.0005126300000000, -0.0038289300000000, -0.0026493000000000 ] - [ -0.0002002500000000, 0.0010732900000000, 0.0006198700000000 ] - [ -0.0005762500000000, -0.0002237200000000, -0.0000106400000000 ] - [ -0.0004133600000000, -0.0001985100000000, -0.0001684800000000 ] - [ 0.0014436800000000, 0.0021001300000000, -0.0000769900000000 ] - [ -0.0002411400000000, -0.0001159500000000, -0.0004213800000000 ] - [ 0.0107414900000000, 0.0095392500000000, 0.0106433700000000 ] - [ -0.0006190100000000, 0.0016583700000000, 0.0001289600000000 ] - [ 0.0028354900000000, 0.0061114800000000, -0.0001604800000000 ] - [ 0.0001251900000000, -0.0000651200000000, 0.0001135000000000 ] - [ 0.0004913200000000, -0.0009828700000000, -0.0004474500000000 ] - [ 0.0852588200000000, -0.0733428400000000, 0.0240364800000000 ] - [ 0.0014612400000000, -0.0026340400000000, 0.0019332100000000 ] - [ 0.0001453700000000, 0.0001948600000000, 0.0002753800000000 ] - [ 0.0000458500000000, 0.0006204400000000, 0.0001711600000000 ] - [ -0.0001020400000000, -0.0001324600000000, -0.0006110400000000 ] - [ -0.0005091700000000, 0.0003028100000000, 0.0012519000000000 ] - [ -0.0703688300000000, -0.1190047100000000, 0.0725304900000000 ] - [ -0.0004933700000000, 0.0000716500000000, -0.0007281800000000 ] - [ 0.0001038200000000, -0.0002654800000000, 0.0000587800000000 ] - [ 0.0006638400000000, -0.0002449500000000, -0.0007832100000000 ] - [ 0.0002958100000000, -0.0006375900000000, 0.0003609700000000 ] - [ -0.0004161900000000, 0.0007756600000000, 0.0000761700000000 ] - [ 0.0001666400000000, 0.0000455500000000, -0.0000802200000000 ] - [ 0.0001001500000000, -0.0000941200000000, -0.0005090100000000 ] - [ -0.0011979500000000, -0.0009974500000000, -0.0022985400000000 ] - [ 0.0001062800000000, 0.0010329600000000, 0.0017670500000000 ] - [ 0.0023736400000000, 0.0004299800000000, 0.0014493600000000 ] - [ 0.0034580600000000, -0.0114340200000000, -0.0131645800000000 ] - [ -0.0034267400000000, -0.0008624700000000, 0.0021037900000000 ] - [ 0.0004076400000000, 0.0008455700000000, 0.0010417400000000 ] - [ -0.0007085200000000, 0.0001252000000000, -0.0002995800000000 ] - [ -0.0004805900000000, -0.0005762900000000, -0.0000979800000000 ] - [ -0.0002739300000000, -0.0001191200000000, -0.0000343800000000 ] - [ -0.0003563800000000, -0.0000862300000000, 0.0005717800000000 ] - [ -0.0001031200000000, 0.0003547800000000, 0.0002856800000000 ] - [ -0.0005408700000000, -0.0000566500000000, -0.0006869400000000 ] - [ -0.0002791700000000, -0.0000902800000000, 0.0000146500000000 ] - [ -0.0001761300000000, 0.0000949200000000, -0.0001370200000000 ] - [ 0.0003095100000000, 0.0000567800000000, -0.0000940500000000 ] - [ -0.0007576700000000, 0.0002558000000000, 0.0002930600000000 ] - [ 0.0000180000000000, 0.0000495100000000, -0.0004625000000000 ] - [ -0.0008208000000000, -0.0002570400000000, 0.0002740900000000 ] - [ 0.0001189000000000, -0.0006457700000000, 0.0003239100000000 ] - [ 0.0003286500000000, 0.0006504000000000, 0.0005421900000000 ] - [ -0.0000815100000000, 0.0000415200000000, -0.0001973600000000 ] - [ -0.0006201600000000, -0.0001557000000000, -0.0003467400000000 ] - [ 0.0000040300000000, -0.0002552900000000, 0.0000013700000000 ] - [ -0.0000941400000000, -0.0003490500000000, 0.0002793000000000 ] - [ 0.0000114500000000, 0.0004219800000000, -0.0000422400000000 ] - [ -0.0004091300000000, -0.0000125300000000, -0.0002160000000000 ] - [ -0.0006151800000000, -0.0001033800000000, -0.0003738000000000 ] - [ -0.0001220400000000, 0.0001268500000000, -0.0004252200000000 ] - [ -0.0005511100000000, 0.0000736100000000, -0.0002231600000000 ] - [ -0.0000809900000000, 0.0002568500000000, -0.0003732500000000 ] - [ 0.0000079100000000, 0.0002548200000000, 0.0000033700000000 ] - [ -0.0000968000000000, -0.0000398200000000, -0.0001930300000000 ] - [ -0.0000329000000000, -0.0000566700000000, 0.0005312000000000 ] - [ -0.0001176600000000, -0.0005588600000000, 0.0004114600000000 ] - [ 0.0001049700000000, -0.0000180100000000, -0.0002302800000000 ] - [ -0.0001363700000000, -0.0001318500000000, -0.0004461800000000 ] - [ -0.0002646600000000, 0.0000965600000000, 0.0000108200000000 ] - [ -0.0005200500000000, 0.0005946300000000, -0.0001321100000000 ] - [ 0.0001147300000000, 0.0000212100000000, -0.0002285600000000 ] - [ -0.0003842900000000, 0.0002621200000000, 0.0007001400000000 ] - [ -0.0003562600000000, -0.0005001100000000, 0.0001772700000000 ] - [ -0.0005834700000000, -0.0000459000000000, -0.0004260300000000 ] - [ 0.0000919200000000, -0.0000956800000000, -0.0002661600000000 ] - [ -0.0000269100000000, -0.0004509200000000, -0.0000189700000000 ] - [ -0.0004300100000000, -0.0002473200000000, 0.0007570400000000 ] - [ -0.0003532400000000, 0.0004994600000000, 0.0001816100000000 ] - [ -0.0001230700000000, 0.0000271500000000, -0.0000849900000000 ] - [ -0.0000216900000000, 0.0001271100000000, -0.0001870000000000 ] - [ -0.0000776600000000, -0.0002563000000000, -0.0003714400000000 ] - [ -0.0001382300000000, 0.0005948100000000, 0.0003563700000000 ] - [ -0.0002836900000000, 0.0001205400000000, -0.0000236000000000 ] - [ -0.0001787500000000, -0.0000985400000000, -0.0001422900000000 ] - [ -0.0005667400000000, -0.0000833700000000, -0.0002709200000000 ] - [ -0.0003529400000000, 0.0000913700000000, 0.0005934900000000 ]- atom: 22 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0031817500000000, -0.0002287300000000, -0.0022762500000000 ] - [ -0.0002661900000000, -0.0003407200000000, -0.0007496200000000 ] - [ -0.0010242700000000, -0.0003078700000000, 0.0014850100000000 ] - [ -0.0004017400000000, 0.0002240500000000, 0.0009650100000000 ] - [ -0.0000695600000000, 0.0001210900000000, -0.0003547000000000 ] - [ -0.0004088400000000, -0.0002764700000000, 0.0000109400000000 ] - [ 0.0000198200000000, -0.0001161900000000, -0.0002438900000000 ] - [ -0.0002918700000000, 0.0002440800000000, 0.0003191400000000 ] - [ 0.0028395600000000, 0.0013344500000000, 0.0127748600000000 ] - [ -0.0182405700000000, -0.0093674800000000, -0.0169522700000000 ] - [ -0.0011902800000000, 0.0003515500000000, -0.0003076100000000 ] - [ 0.0008672400000000, -0.0001973700000000, 0.0005230000000000 ] - [ 0.0000102100000000, 0.0001519700000000, -0.0003010800000000 ] - [ 0.0001486400000000, -0.0001465700000000, -0.0004023200000000 ] - [ 0.0008864600000000, 0.0003627700000000, -0.0015871500000000 ] - [ -0.0009309800000000, -0.0001200400000000, 0.0019716600000000 ] - [ -0.0010786400000000, -0.0002475400000000, 0.0006203000000000 ] - [ 0.0008302800000000, -0.0009058000000000, -0.0001022500000000 ] - [ 0.0003996500000000, 0.0007211000000000, 0.0009120300000000 ] - [ -0.0080483300000000, -0.0020181900000000, 0.0021937400000000 ] - [ -0.0050459600000000, -0.0001243900000000, -0.0012483800000000 ] - [ 0.0167838100000000, 0.0135200700000000, -0.3559651200000000 ] - [ 0.0332384600000000, 0.0233905800000000, 0.0181239800000000 ] - [ 0.0075745900000000, -0.0035759900000000, 0.0010246400000000 ] - [ 0.0054810200000000, -0.0011375600000000, 0.0023035500000000 ] - [ 0.0242482700000000, 0.0034125600000000, 0.0198151500000000 ] - [ -0.0035943200000000, -0.0022672500000000, -0.0220352200000000 ] - [ -0.0005304300000000, -0.0014241800000000, 0.0111636200000000 ] - [ -0.0111867700000000, -0.0017427500000000, 0.0244835000000000 ] - [ -0.0158530400000000, -0.0052019300000000, 0.0465834800000000 ] - [ 0.0011525800000000, -0.0001804600000000, -0.0006565600000000 ] - [ -0.0031956800000000, -0.0006099300000000, 0.0192240300000000 ] - [ 0.0005474500000000, -0.0000001000000000, 0.0001398800000000 ] - [ -0.0011614700000000, -0.0006233400000000, -0.0018935300000000 ] - [ 0.0020542200000000, 0.0009034600000000, 0.0025152100000000 ] - [ -0.0000827400000000, 0.0006887700000000, 0.0008476200000000 ] - [ 0.0006032200000000, -0.0000288500000000, -0.0003483200000000 ] - [ 0.0000365600000000, 0.0000844200000000, -0.0002879600000000 ] - [ 0.0001220500000000, -0.0001029300000000, -0.0001522800000000 ] - [ -0.0005365200000000, -0.0004469600000000, 0.0008216800000000 ] - [ 0.0001501600000000, 0.0000260700000000, 0.0000346200000000 ] - [ 0.0002920300000000, -0.0002140000000000, 0.0002238600000000 ] - [ -0.0000242500000000, 0.0003129400000000, -0.0001599600000000 ] - [ 0.0000370600000000, -0.0003836800000000, 0.0001235700000000 ] - [ 0.0002269800000000, 0.0000704000000000, -0.0000562300000000 ] - [ 0.0003525600000000, 0.0002318700000000, 0.0001624900000000 ] - [ -0.0006413700000000, 0.0001045300000000, -0.0002461200000000 ] - [ 0.0000181400000000, -0.0000893600000000, -0.0001815700000000 ] - [ -0.0012066200000000, 0.0001166900000000, 0.0001727400000000 ] - [ -0.0010044100000000, -0.0004714900000000, -0.0019384700000000 ] - [ 0.0027192100000000, 0.0005890400000000, -0.0023186700000000 ] - [ 0.0045460600000000, -0.0044374600000000, 0.0072433600000000 ] - [ -0.0067961600000000, 0.0024899800000000, 0.0034404000000000 ] - [ 0.0000641300000000, 0.0000476300000000, -0.0003551600000000 ] - [ -0.0048623800000000, 0.0040412900000000, 0.0146520300000000 ] - [ -0.0009333700000000, 0.0032008000000000, -0.0102494300000000 ] - [ 0.0006012800000000, -0.0000669300000000, -0.0001573900000000 ] - [ -0.0017254900000000, 0.0012151400000000, -0.0019615200000000 ] - [ 0.0000524800000000, 0.0000374900000000, -0.0009259700000000 ] - [ -0.0007132400000000, 0.0012268100000000, 0.0027789000000000 ] - [ 0.0004313700000000, -0.0004140500000000, 0.0008799000000000 ] - [ 0.0002543100000000, 0.0008770000000000, -0.0000445900000000 ] - [ 0.0034533200000000, -0.0002789100000000, -0.0078733700000000 ] - [ -0.0001412300000000, -0.0000797600000000, -0.0000232400000000 ] - [ 0.0124458400000000, 0.0853781400000000, 0.1450033700000000 ] - [ 0.0082045300000000, 0.0063786300000000, -0.0081268900000000 ] - [ 0.0016564300000000, -0.0001201100000000, -0.0009665700000000 ] - [ 0.0020181600000000, 0.0000540500000000, 0.0011735400000000 ] - [ 0.0000629300000000, -0.0002108200000000, -0.0009261000000000 ] - [ -0.0085947600000000, -0.0033745400000000, -0.0051180100000000 ] - [ -0.0012644700000000, -0.0000089700000000, -0.0019810000000000 ] - [ -0.0127397400000000, -0.0063486100000000, -0.0060545400000000 ] - [ -0.0009855100000000, 0.0036271300000000, -0.0096990000000000 ] - [ -0.0049938500000000, -0.0044257100000000, 0.0084864300000000 ] - [ -0.0001274200000000, -0.0001227900000000, 0.0004855500000000 ] - [ -0.0013141500000000, -0.0007397500000000, -0.0009794400000000 ] - [ 0.0375759900000000, -0.0174212300000000, 0.0483966500000000 ] - [ 0.0046109000000000, -0.0002878500000000, -0.0015967500000000 ] - [ 0.0021019200000000, 0.0007898000000000, -0.0052083100000000 ] - [ 0.0021465300000000, 0.0000380500000000, 0.0008031300000000 ] - [ 0.0002452700000000, 0.0003628400000000, -0.0052682600000000 ] - [ 0.0021331700000000, 0.0013957200000000, 0.0007083500000000 ] - [ -0.0610270300000000, -0.0851475000000000, 0.1028653500000000 ] - [ -0.0008765500000000, 0.0000411700000000, -0.0007164100000000 ] - [ 0.0010505600000000, 0.0003348700000000, -0.0007461100000000 ] - [ -0.0014084800000000, -0.0007289700000000, 0.0009309500000000 ] - [ -0.0023272700000000, 0.0006165000000000, 0.0006287000000000 ] - [ 0.0022601300000000, -0.0030042700000000, -0.0074387600000000 ] - [ -0.0014171400000000, 0.0001818700000000, -0.0013906000000000 ] - [ -0.0008271600000000, 0.0004178300000000, 0.0001376000000000 ] - [ -0.0034346200000000, 0.0033513700000000, -0.0091509300000000 ] - [ 0.0016790500000000, 0.0002439500000000, 0.0019649600000000 ] - [ -0.0055821600000000, -0.0001715000000000, -0.0058823500000000 ] - [ 0.0081445300000000, -0.0005133400000000, -0.0017507100000000 ] - [ 0.0011634000000000, 0.0008035500000000, 0.0016466700000000 ] - [ -0.0021453300000000, -0.0033770800000000, -0.0055386600000000 ] - [ -0.0003625200000000, 0.0001801400000000, -0.0003319600000000 ] - [ -0.0002168800000000, -0.0004266300000000, -0.0002254700000000 ] - [ -0.0001845700000000, -0.0001251400000000, -0.0000261400000000 ] - [ -0.0002457600000000, -0.0001529900000000, 0.0006520000000000 ] - [ 0.0002038600000000, 0.0001726200000000, 0.0001995700000000 ] - [ -0.0006998300000000, 0.0000122900000000, -0.0004249100000000 ] - [ -0.0000199200000000, -0.0002203300000000, -0.0000418000000000 ] - [ -0.0000519600000000, 0.0000661800000000, -0.0001832000000000 ] - [ -0.0000361100000000, 0.0001803100000000, -0.0001010400000000 ] - [ -0.0006160400000000, 0.0001758800000000, 0.0002447900000000 ] - [ -0.0004639400000000, -0.0002911300000000, -0.0010908700000000 ] - [ -0.0004012600000000, -0.0001929300000000, 0.0004723800000000 ] - [ 0.0005523700000000, -0.0002215300000000, 0.0013528800000000 ] - [ 0.0001348300000000, 0.0010218700000000, -0.0004727300000000 ] - [ 0.0000388400000000, 0.0000391300000000, -0.0002698200000000 ] - [ 0.0003791400000000, -0.0004995100000000, 0.0001829500000000 ] - [ 0.0001848400000000, -0.0001582800000000, 0.0000424400000000 ] - [ 0.0001023200000000, -0.0002531600000000, 0.0002085000000000 ] - [ 0.0000731100000000, 0.0004273400000000, -0.0001279100000000 ] - [ 0.0000339700000000, -0.0000016300000000, 0.0001086200000000 ] - [ -0.0006589900000000, -0.0000955500000000, -0.0003615500000000 ] - [ 0.0002101200000000, 0.0001551500000000, -0.0003329100000000 ] - [ -0.0002608700000000, -0.0000532500000000, -0.0003681500000000 ] - [ 0.0001857800000000, 0.0003436300000000, -0.0002836200000000 ] - [ 0.0001714200000000, 0.0001877900000000, -0.0000279000000000 ] - [ 0.0000458800000000, -0.0000472600000000, -0.0001655900000000 ] - [ 0.0005589500000000, 0.0001303700000000, 0.0004070400000000 ] - [ 0.0000845600000000, -0.0005266500000000, 0.0002705700000000 ] - [ 0.0003206700000000, -0.0000911500000000, -0.0001930200000000 ] - [ 0.0001084400000000, -0.0001335000000000, -0.0003624200000000 ] - [ -0.0000253200000000, 0.0002431800000000, -0.0000979600000000 ] - [ -0.0003269900000000, 0.0004967200000000, -0.0001036600000000 ] - [ 0.0003327100000000, 0.0000983400000000, -0.0002345800000000 ] - [ -0.0004372500000000, 0.0002767300000000, 0.0007788900000000 ] - [ -0.0002027000000000, -0.0004684600000000, 0.0001532600000000 ] - [ -0.0001140800000000, -0.0000391000000000, -0.0005492500000000 ] - [ 0.0000340900000000, -0.0001108300000000, -0.0002296500000000 ] - [ 0.0002074300000000, -0.0003676300000000, 0.0000132200000000 ] - [ 0.0000929600000000, -0.0004372600000000, 0.0007396300000000 ] - [ -0.0001722000000000, 0.0004420600000000, 0.0001143900000000 ] - [ 0.0001974000000000, 0.0000421000000000, -0.0002125400000000 ] - [ 0.0003781300000000, -0.0000348800000000, -0.0003022500000000 ] - [ 0.0001811200000000, -0.0003324200000000, -0.0002975100000000 ] - [ 0.0000006400000000, 0.0004837200000000, 0.0004466000000000 ] - [ -0.0001282200000000, 0.0001064500000000, -0.0000145400000000 ] - [ -0.0000625700000000, -0.0000538000000000, -0.0001382100000000 ] - [ -0.0003853100000000, -0.0000122500000000, -0.0001854800000000 ] - [ -0.0002121600000000, 0.0001294700000000, 0.0004993500000000 ]- atom: 22 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0032030800000000, 0.0004696400000000, 0.0017020100000000 ] - [ -0.0004142500000000, -0.0001778500000000, 0.0010852000000000 ] - [ 0.0009880800000000, 0.0000714100000000, -0.0020872600000000 ] - [ -0.0002848200000000, 0.0002940500000000, -0.0006338200000000 ] - [ 0.0000430600000000, 0.0001154300000000, -0.0002427200000000 ] - [ -0.0002749400000000, -0.0002419500000000, 0.0003219300000000 ] - [ -0.0000460700000000, -0.0001209400000000, -0.0003536600000000 ] - [ -0.0003913000000000, 0.0002737100000000, 0.0000138900000000 ] - [ -0.0026684400000000, -0.0010324700000000, -0.0134742100000000 ] - [ 0.0185041800000000, 0.0090977200000000, 0.0161337300000000 ] - [ 0.0010188400000000, 0.0001561400000000, 0.0005081400000000 ] - [ -0.0010475400000000, -0.0003114200000000, -0.0003226600000000 ] - [ 0.0002222900000000, 0.0001517800000000, -0.0003997000000000 ] - [ 0.0000835000000000, -0.0001570700000000, -0.0002984800000000 ] - [ -0.0010697700000000, 0.0001491800000000, 0.0017804700000000 ] - [ 0.0007594300000000, -0.0003870500000000, -0.0017685800000000 ] - [ 0.0010598500000000, 0.0001485500000000, -0.0007227200000000 ] - [ 0.0004368000000000, -0.0007097200000000, 0.0009320700000000 ] - [ 0.0008664300000000, 0.0008947500000000, -0.0000861400000000 ] - [ 0.0074873900000000, 0.0031673800000000, -0.0005260600000000 ] - [ 0.0058981500000000, 0.0000783900000000, 0.0008845700000000 ] - [ -0.0132979100000000, -0.0030662400000000, 0.3604051600000000 ] - [ -0.0327725100000000, -0.0236323000000000, -0.0182465800000000 ] - [ -0.0081289000000000, 0.0024160300000000, 0.0006177400000000 ] - [ -0.0046528300000000, 0.0011800200000000, -0.0026157000000000 ] - [ -0.0234175500000000, -0.0037099200000000, -0.0193361000000000 ] - [ 0.0036177500000000, 0.0029797500000000, 0.0221048500000000 ] - [ 0.0006124100000000, 0.0007499000000000, -0.0111858200000000 ] - [ 0.0115375800000000, 0.0018604400000000, -0.0247334700000000 ] - [ 0.0166766000000000, 0.0055631800000000, -0.0466174600000000 ] - [ -0.0011712000000000, 0.0002821100000000, 0.0005644400000000 ] - [ 0.0032876700000000, 0.0004330400000000, -0.0196707300000000 ] - [ -0.0005643200000000, -0.0001003300000000, -0.0002381600000000 ] - [ 0.0024265800000000, -0.0009977500000000, 0.0027277400000000 ] - [ -0.0007842700000000, 0.0007116600000000, -0.0016884400000000 ] - [ -0.0004780400000000, 0.0004610600000000, 0.0008205300000000 ] - [ 0.0002359000000000, -0.0000198400000000, 0.0000172100000000 ] - [ 0.0000805300000000, 0.0000811900000000, -0.0001799800000000 ] - [ 0.0002869100000000, -0.0000545300000000, -0.0000470500000000 ] - [ -0.0000232000000000, -0.0007036100000000, 0.0008456200000000 ] - [ 0.0006896300000000, 0.0000223500000000, -0.0003642700000000 ] - [ 0.0004146600000000, -0.0002282700000000, 0.0001526300000000 ] - [ 0.0001021700000000, 0.0003829800000000, 0.0001135200000000 ] - [ 0.0000403900000000, -0.0003119300000000, -0.0001707600000000 ] - [ 0.0001823000000000, 0.0000869000000000, -0.0001429100000000 ] - [ 0.0003537800000000, 0.0002103200000000, 0.0002140000000000 ] - [ 0.0006229100000000, -0.0000041100000000, 0.0001503600000000 ] - [ 0.0000990000000000, -0.0000764300000000, -0.0002867600000000 ] - [ 0.0001588600000000, 0.0001529500000000, -0.0008706600000000 ] - [ 0.0004450200000000, -0.0004582300000000, 0.0016125500000000 ] - [ -0.0030557700000000, -0.0008271700000000, 0.0023415600000000 ] - [ -0.0050429400000000, 0.0042016400000000, -0.0061429900000000 ] - [ 0.0070783000000000, -0.0020512600000000, -0.0030116600000000 ] - [ -0.0009138700000000, 0.0000071900000000, -0.0006163400000000 ] - [ 0.0047891000000000, -0.0045242000000000, -0.0147817700000000 ] - [ 0.0008079500000000, -0.0030917600000000, 0.0099247100000000 ] - [ -0.0001280900000000, 0.0001168300000000, 0.0004977600000000 ] - [ 0.0006566200000000, -0.0008369200000000, 0.0026600700000000 ] - [ -0.0001514300000000, 0.0000779400000000, -0.0000454400000000 ] - [ -0.0003053800000000, -0.0015987500000000, -0.0020775600000000 ] - [ 0.0002285500000000, -0.0008924500000000, -0.0000701400000000 ] - [ 0.0004070400000000, 0.0004280700000000, 0.0008570800000000 ] - [ -0.0034026500000000, 0.0003608600000000, 0.0074844400000000 ] - [ 0.0000413200000000, -0.0000351600000000, -0.0009506300000000 ] - [ -0.0128068400000000, -0.0919016700000000, -0.1525543800000000 ] - [ -0.0078813700000000, -0.0067957500000000, 0.0084995700000000 ] - [ -0.0013965700000000, 0.0009220300000000, 0.0008514800000000 ] - [ -0.0018252600000000, -0.0001017000000000, -0.0012968000000000 ] - [ -0.0011063000000000, -0.0000597000000000, 0.0002358600000000 ] - [ 0.0088196700000000, 0.0036173800000000, 0.0043619300000000 ] - [ 0.0005943800000000, -0.0000264500000000, 0.0014239500000000 ] - [ 0.0128938600000000, 0.0070405400000000, 0.0056596400000000 ] - [ 0.0013355800000000, -0.0032661700000000, 0.0096943100000000 ] - [ 0.0050319900000000, 0.0043758900000000, -0.0089399300000000 ] - [ 0.0006020500000000, 0.0000730200000000, -0.0001481700000000 ] - [ 0.0013727100000000, -0.0002770800000000, 0.0017088100000000 ] - [ -0.0367691500000000, 0.0170970700000000, -0.0484582600000000 ] - [ -0.0043098200000000, 0.0000042500000000, 0.0009172700000000 ] - [ -0.0021865600000000, -0.0003464600000000, 0.0050926900000000 ] - [ -0.0027372700000000, 0.0009057500000000, -0.0011174400000000 ] - [ 0.0003938800000000, -0.0001802300000000, 0.0048384500000000 ] - [ -0.0025043000000000, -0.0006989300000000, 0.0008132100000000 ] - [ 0.0576835000000000, 0.0800754800000000, -0.0998700400000000 ] - [ 0.0000313300000000, -0.0000935300000000, -0.0002608400000000 ] - [ -0.0006687400000000, -0.0004245800000000, 0.0002275600000000 ] - [ 0.0016639500000000, -0.0000761300000000, -0.0010378300000000 ] - [ 0.0019539800000000, -0.0013122800000000, 0.0008977000000000 ] - [ -0.0026414300000000, 0.0039291500000000, 0.0077120400000000 ] - [ 0.0016276000000000, -0.0001339900000000, 0.0012659000000000 ] - [ 0.0012122100000000, -0.0003327100000000, -0.0006655900000000 ] - [ 0.0037697800000000, -0.0040194200000000, 0.0085725300000000 ] - [ -0.0016197300000000, 0.0007727100000000, -0.0012545700000000 ] - [ 0.0052494800000000, 0.0004721100000000, 0.0058213800000000 ] - [ -0.0082176000000000, 0.0005094700000000, 0.0011290900000000 ] - [ -0.0018761400000000, -0.0007885800000000, -0.0021828000000000 ] - [ 0.0016517000000000, 0.0036262700000000, 0.0066617100000000 ] - [ -0.0006839200000000, 0.0000889700000000, -0.0003618800000000 ] - [ -0.0003567400000000, -0.0005127700000000, -0.0000950000000000 ] - [ -0.0001471000000000, -0.0001087500000000, -0.0000163900000000 ] - [ -0.0002312900000000, -0.0001208000000000, 0.0004977300000000 ] - [ 0.0000660300000000, 0.0002728700000000, 0.0002189600000000 ] - [ -0.0001472300000000, 0.0000417100000000, -0.0005492300000000 ] - [ -0.0000641600000000, -0.0002220700000000, -0.0000840300000000 ] - [ -0.0000806000000000, 0.0000584900000000, -0.0001342900000000 ] - [ 0.0005089100000000, -0.0001306100000000, 0.0004419200000000 ] - [ -0.0004484200000000, 0.0002027700000000, 0.0004574200000000 ] - [ 0.0003634000000000, 0.0004063800000000, 0.0001186200000000 ] - [ -0.0006641400000000, -0.0001852900000000, 0.0002294500000000 ] - [ 0.0001085500000000, -0.0010846200000000, -0.0005417800000000 ] - [ 0.0005252500000000, 0.0002836100000000, 0.0012838700000000 ] - [ 0.0000253900000000, 0.0000473400000000, -0.0001610400000000 ] - [ -0.0004753800000000, 0.0003857900000000, -0.0011573000000000 ] - [ 0.0001460200000000, -0.0002007400000000, -0.0000302400000000 ] - [ 0.0001678700000000, -0.0001920400000000, 0.0002101500000000 ] - [ 0.0001847400000000, 0.0003762400000000, 0.0000176200000000 ] - [ 0.0001714100000000, -0.0000454500000000, -0.0002320400000000 ] - [ -0.0003877700000000, -0.0001737200000000, -0.0003322800000000 ] - [ 0.0000653000000000, 0.0001299300000000, -0.0003760500000000 ] - [ -0.0004193200000000, 0.0000245600000000, -0.0001805800000000 ] - [ 0.0001405100000000, 0.0003201000000000, -0.0003104800000000 ] - [ 0.0001592900000000, 0.0001715200000000, 0.0000404600000000 ] - [ 0.0000183100000000, -0.0000389500000000, -0.0002650100000000 ] - [ -0.0000840300000000, -0.0001801800000000, -0.0000710100000000 ] - [ -0.0000238900000000, -0.0004921900000000, 0.0004511700000000 ] - [ 0.0002989700000000, -0.0000860500000000, -0.0002366300000000 ] - [ 0.0001666500000000, -0.0001516000000000, -0.0003463700000000 ] - [ -0.0000583800000000, 0.0001990300000000, -0.0000281900000000 ] - [ -0.0002463200000000, 0.0004424100000000, -0.0002167100000000 ] - [ 0.0002871400000000, 0.0000788800000000, -0.0001954700000000 ] - [ 0.0000643800000000, 0.0004187800000000, 0.0007432900000000 ] - [ -0.0001975900000000, -0.0004495900000000, 0.0001219200000000 ] - [ -0.0007335100000000, -0.0000138400000000, -0.0004265800000000 ] - [ 0.0003481800000000, 0.0000228800000000, -0.0002934700000000 ] - [ 0.0000496300000000, -0.0004365300000000, -0.0001233200000000 ] - [ -0.0004672100000000, -0.0002578200000000, 0.0007831000000000 ] - [ -0.0002284400000000, 0.0004760000000000, 0.0001606800000000 ] - [ 0.0000064700000000, 0.0000054100000000, 0.0000879800000000 ] - [ 0.0000044500000000, 0.0001226600000000, -0.0002217700000000 ] - [ 0.0001453600000000, -0.0003314800000000, -0.0002961600000000 ] - [ 0.0000599200000000, 0.0005356100000000, 0.0002739100000000 ] - [ -0.0002041100000000, 0.0001279000000000, -0.0000283600000000 ] - [ -0.0000699900000000, -0.0000708500000000, -0.0001791600000000 ] - [ -0.0002947700000000, 0.0000410800000000, -0.0003631200000000 ] - [ -0.0002648400000000, 0.0001443500000000, 0.0006507100000000 ]- atom: 23 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0025256100000000, -0.0016356100000000, -0.0064886700000000 ] - [ 0.0006373300000000, -0.0003299300000000, -0.0017354700000000 ] - [ -0.0022455300000000, -0.0000508300000000, 0.0013487700000000 ] - [ 0.0000628400000000, -0.0000510200000000, 0.0016493000000000 ] - [ 0.0010078600000000, 0.0001028300000000, -0.0002701800000000 ] - [ 0.0004912200000000, -0.0001964000000000, 0.0003376500000000 ] - [ 0.0009794600000000, -0.0001044600000000, -0.0002877500000000 ] - [ 0.0004316500000000, 0.0002052700000000, 0.0002638000000000 ] - [ -0.0188607000000000, 0.0042744400000000, 0.0199551400000000 ] - [ -0.0123831500000000, 0.0046108100000000, -0.0131626400000000 ] - [ 0.0014192400000000, 0.0001664300000000, -0.0008843500000000 ] - [ 0.0048713300000000, -0.0001130100000000, 0.0011803000000000 ] - [ 0.0033926400000000, 0.0003960800000000, -0.0002583200000000 ] - [ 0.0033546300000000, -0.0003875200000000, -0.0002609500000000 ] - [ 0.0034178200000000, -0.0000614700000000, 0.0007151300000000 ] - [ 0.0031847200000000, -0.0002102200000000, -0.0004985400000000 ] - [ 0.0002108000000000, 0.0000332300000000, 0.0010645900000000 ] - [ 0.0036368700000000, -0.0012100700000000, -0.0002030800000000 ] - [ 0.0025529600000000, 0.0008582700000000, 0.0015828500000000 ] - [ 0.0039915100000000, 0.0015416400000000, -0.0005854400000000 ] - [ -0.0034159000000000, -0.0003219300000000, -0.0026404200000000 ] - [ -0.0144965800000000, 0.0143736500000000, 0.0326681800000000 ] - [ -0.3366419900000000, 0.0209663200000000, 0.0115521000000000 ] - [ 0.0010576000000000, -0.0005403900000000, 0.0020687600000000 ] - [ 0.0216252000000000, 0.0007496700000000, 0.0149874800000000 ] - [ -0.0016254300000000, -0.0003433100000000, 0.0030857500000000 ] - [ 0.0057848000000000, -0.0002124300000000, 0.0028215300000000 ] - [ 0.0010047400000000, -0.0003553900000000, -0.0017568900000000 ] - [ -0.0104087200000000, 0.0023482900000000, 0.0020419100000000 ] - [ 0.0076077900000000, 0.0030498700000000, -0.0139426000000000 ] - [ 0.0047391100000000, -0.0005556900000000, -0.0004711700000000 ] - [ -0.0028442300000000, -0.0076621100000000, -0.0116361500000000 ] - [ 0.0022840400000000, 0.0001011900000000, 0.0001555000000000 ] - [ 0.0036177100000000, -0.0009616500000000, 0.0010225300000000 ] - [ 0.0025396200000000, 0.0010482300000000, 0.0004546800000000 ] - [ 0.0029254900000000, 0.0015057700000000, 0.0010075200000000 ] - [ 0.0044858100000000, 0.0005073200000000, -0.0002674800000000 ] - [ 0.0027679000000000, -0.0002847300000000, -0.0002745500000000 ] - [ 0.0028285800000000, 0.0006560000000000, 0.0003628500000000 ] - [ 0.0020272700000000, -0.0010021000000000, 0.0008098800000000 ] - [ 0.0045462000000000, -0.0004974000000000, -0.0004174000000000 ] - [ 0.0030492300000000, -0.0001243300000000, -0.0002164100000000 ] - [ 0.0027921700000000, 0.0001927900000000, -0.0008603000000000 ] - [ 0.0028376900000000, -0.0003214200000000, -0.0003146700000000 ] - [ 0.0027829400000000, -0.0006578100000000, 0.0003625300000000 ] - [ 0.0032293700000000, 0.0001525900000000, -0.0003012200000000 ] - [ 0.0025976000000000, -0.0001189800000000, 0.0000922100000000 ] - [ 0.0027564500000000, 0.0002694100000000, -0.0001703300000000 ] - [ -0.0034937000000000, -0.0007575000000000, 0.0003941400000000 ] - [ -0.0018135900000000, 0.0009192600000000, -0.0034252400000000 ] - [ 0.0029554100000000, 0.0006351400000000, -0.0000601200000000 ] - [ -0.0025557800000000, 0.0009732400000000, -0.0001279100000000 ] - [ 0.0005270100000000, -0.0002004700000000, -0.0014633000000000 ] - [ -0.0004554900000000, -0.0001149100000000, -0.0004447500000000 ] - [ -0.0016304300000000, 0.0000720800000000, -0.0018327800000000 ] - [ 0.0008582100000000, 0.0002726000000000, -0.0007969200000000 ] - [ 0.0000058300000000, 0.0000516800000000, -0.0001837100000000 ] - [ -0.0013230500000000, 0.0002081200000000, 0.0005396900000000 ] - [ -0.0010116500000000, -0.0003420700000000, -0.0013643800000000 ] - [ -0.0032052200000000, -0.0011433700000000, -0.0008848200000000 ] - [ -0.0005194400000000, -0.0005108000000000, 0.0012958700000000 ] - [ -0.0006700400000000, 0.0012863800000000, -0.0004356200000000 ] - [ 0.0042357100000000, -0.0004542300000000, -0.0053911900000000 ] - [ -0.0015750600000000, 0.0003396700000000, 0.0004100200000000 ] - [ 0.0081714700000000, -0.0112749100000000, -0.0153534100000000 ] - [ -0.0022335500000000, -0.0025572100000000, 0.0030205900000000 ] - [ -0.0011518500000000, 0.0009490700000000, 0.0005404200000000 ] - [ 0.0006777400000000, 0.0002536600000000, 0.0015300400000000 ] - [ -0.0002420600000000, -0.0002362700000000, -0.0011078200000000 ] - [ 0.1110964900000000, 0.0649844700000000, 0.0491759000000000 ] - [ -0.0000007700000000, -0.0016822100000000, -0.0028353100000000 ] - [ 0.0041004100000000, -0.0012711800000000, -0.0028045400000000 ] - [ 0.0029086800000000, -0.0011436600000000, 0.0028015900000000 ] - [ 0.1158927000000000, -0.0094334900000000, -0.0972980600000000 ] - [ -0.0014486500000000, -0.0005012900000000, 0.0008313100000000 ] - [ -0.0006653600000000, -0.0009690900000000, 0.0001284500000000 ] - [ 0.0153775800000000, -0.0063850200000000, -0.0024497800000000 ] - [ 0.0047863300000000, -0.0017386600000000, 0.0014009100000000 ] - [ 0.0001537100000000, 0.0007959200000000, 0.0014780300000000 ] - [ 0.0020492600000000, -0.0015048200000000, 0.0001063200000000 ] - [ 0.0084361600000000, 0.0042206800000000, -0.0008059100000000 ] - [ -0.0021735500000000, -0.0005292200000000, 0.0007526800000000 ] - [ 0.0085902900000000, 0.0041200500000000, -0.0049133700000000 ] - [ -0.0022796300000000, 0.0005610400000000, -0.0020936600000000 ] - [ 0.0005527900000000, 0.0000430800000000, -0.0006650900000000 ] - [ -0.0004864000000000, -0.0004533500000000, -0.0003386600000000 ] - [ -0.0013336300000000, 0.0001095400000000, 0.0003302400000000 ] - [ 0.0051714900000000, 0.0009242100000000, 0.0076484100000000 ] - [ -0.0041128400000000, 0.0002580300000000, -0.0036099300000000 ] - [ -0.0027752500000000, 0.0014475500000000, 0.0000753300000000 ] - [ 0.0079786200000000, 0.0006810700000000, 0.0040669100000000 ] - [ -0.0015304000000000, 0.0010593900000000, 0.0008548700000000 ] - [ 0.0782812000000000, -0.0823452200000000, 0.0258419600000000 ] - [ -0.0035180600000000, 0.0008927100000000, 0.0018118400000000 ] - [ 0.0008624300000000, -0.0002015600000000, 0.0020727600000000 ] - [ -0.0003177800000000, 0.0003450100000000, 0.0011132900000000 ] - [ -0.0015796900000000, -0.0000581400000000, -0.0002888100000000 ] - [ -0.0017751700000000, -0.0012810900000000, 0.0001912300000000 ] - [ -0.0009624900000000, -0.0001327100000000, -0.0000678600000000 ] - [ -0.0011085400000000, 0.0001878200000000, 0.0007693300000000 ] - [ -0.0014214900000000, 0.0010592600000000, 0.0007279100000000 ] - [ -0.0014681500000000, -0.0001348800000000, -0.0009439400000000 ] - [ -0.0016839300000000, 0.0007177700000000, 0.0005326900000000 ] - [ -0.0008403500000000, 0.0003154300000000, -0.0000535900000000 ] - [ -0.0005593200000000, 0.0002235800000000, 0.0002593000000000 ] - [ -0.0025105000000000, 0.0006487500000000, -0.0003411800000000 ] - [ -0.0010759200000000, -0.0002639600000000, -0.0004578200000000 ] - [ -0.0021927400000000, -0.0006863600000000, 0.0001008600000000 ] - [ -0.0006743700000000, -0.0009843800000000, 0.0001860900000000 ] - [ -0.0005196300000000, 0.0008451600000000, 0.0005521400000000 ] - [ -0.0008288800000000, 0.0000232900000000, -0.0000790300000000 ] - [ -0.0014476600000000, 0.0003918200000000, -0.0006352600000000 ] - [ -0.0009806500000000, -0.0007165400000000, 0.0000096100000000 ] - [ -0.0016421100000000, -0.0012309600000000, 0.0007389800000000 ] - [ -0.0009432100000000, 0.0006717900000000, -0.0000626800000000 ] - [ -0.0022561900000000, -0.0000481500000000, -0.0007853000000000 ] - [ -0.0014985900000000, 0.0000546400000000, -0.0003139500000000 ] - [ -0.0017742400000000, 0.0000484300000000, -0.0009255800000000 ] - [ -0.0019069500000000, 0.0006350200000000, -0.0000479200000000 ] - [ -0.0015201100000000, -0.0001928900000000, -0.0008170800000000 ] - [ -0.0009613600000000, 0.0007151500000000, -0.0000432700000000 ] - [ -0.0008415100000000, -0.0000240400000000, -0.0000813200000000 ] - [ -0.0007932300000000, -0.0002494600000000, 0.0004291300000000 ] - [ -0.0009882400000000, -0.0010016400000000, 0.0003986100000000 ] - [ -0.0011120800000000, 0.0004026200000000, -0.0003175000000000 ] - [ -0.0017529400000000, -0.0000508900000000, -0.0009287200000000 ] - [ -0.0016720300000000, -0.0006598500000000, 0.0004144700000000 ] - [ -0.0017699000000000, 0.0012753800000000, 0.0001620600000000 ] - [ -0.0011071500000000, -0.0003970700000000, -0.0003312500000000 ] - [ -0.0022871200000000, -0.0004698900000000, 0.0004736000000000 ] - [ -0.0012957200000000, -0.0007514600000000, 0.0004475300000000 ] - [ -0.0015658400000000, 0.0001030300000000, -0.0008245900000000 ] - [ -0.0009205400000000, -0.0005204800000000, -0.0000080200000000 ] - [ -0.0007412900000000, -0.0006167800000000, 0.0002939400000000 ] - [ -0.0012191500000000, 0.0001649600000000, 0.0005239200000000 ] - [ -0.0012935200000000, 0.0007388100000000, 0.0004260400000000 ] - [ -0.0021868900000000, 0.0000465900000000, -0.0006848600000000 ] - [ -0.0010172600000000, 0.0005531400000000, 0.0000327700000000 ] - [ -0.0015969900000000, 0.0002225000000000, -0.0008473400000000 ] - [ -0.0012175100000000, 0.0009901300000000, 0.0006489700000000 ] - [ -0.0009794900000000, 0.0001348400000000, -0.0000673100000000 ] - [ -0.0008745600000000, -0.0003027700000000, 0.0000052800000000 ] - [ -0.0018921300000000, -0.0006270400000000, -0.0000913200000000 ] - [ -0.0010225200000000, -0.0002214900000000, 0.0004997900000000 ]- atom: 23 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0025252900000000, 0.0019183100000000, 0.0059278900000000 ] - [ -0.0013336600000000, -0.0001902400000000, 0.0020874400000000 ] - [ 0.0022294600000000, -0.0001868500000000, -0.0019476700000000 ] - [ -0.0007418500000000, 0.0005696900000000, -0.0013220800000000 ] - [ -0.0010393900000000, 0.0001337700000000, -0.0003272200000000 ] - [ -0.0011782400000000, -0.0003222900000000, -0.0000054600000000 ] - [ -0.0010110300000000, -0.0001328200000000, -0.0003098400000000 ] - [ -0.0011189200000000, 0.0003128400000000, 0.0000679800000000 ] - [ 0.0191386600000000, -0.0039757600000000, -0.0205605200000000 ] - [ 0.0126418000000000, -0.0049116800000000, 0.0124421300000000 ] - [ -0.0016011600000000, 0.0003427800000000, 0.0010933700000000 ] - [ -0.0050666600000000, -0.0003942600000000, -0.0009907100000000 ] - [ -0.0031787800000000, -0.0000930900000000, -0.0004416100000000 ] - [ -0.0031407700000000, 0.0000844600000000, -0.0004385800000000 ] - [ -0.0036095300000000, 0.0005704300000000, -0.0005127400000000 ] - [ -0.0033775200000000, -0.0003004400000000, 0.0006957900000000 ] - [ -0.0002271600000000, -0.0001309000000000, -0.0011604700000000 ] - [ -0.0023916700000000, -0.0004041300000000, 0.0010345600000000 ] - [ -0.0012967100000000, 0.0007599000000000, -0.0007603200000000 ] - [ -0.0045640000000000, -0.0003915700000000, 0.0022429600000000 ] - [ 0.0042749200000000, 0.0002920100000000, 0.0023277200000000 ] - [ 0.0145136100000000, -0.0140217400000000, -0.0329188300000000 ] - [ 0.3420437200000000, -0.0203521200000000, -0.0130120900000000 ] - [ -0.0016415400000000, -0.0006069700000000, -0.0003991200000000 ] - [ -0.0207952700000000, -0.0007612200000000, -0.0154478400000000 ] - [ 0.0023039600000000, -0.0000863600000000, -0.0026878900000000 ] - [ -0.0057079900000000, 0.0008977800000000, -0.0028391200000000 ] - [ -0.0009497500000000, -0.0003360600000000, 0.0017126000000000 ] - [ 0.0108249000000000, -0.0021949100000000, -0.0022316000000000 ] - [ -0.0069004700000000, -0.0026263900000000, 0.0142437900000000 ] - [ -0.0047927700000000, 0.0006695000000000, 0.0003716300000000 ] - [ 0.0029283500000000, 0.0074992400000000, 0.0111829300000000 ] - [ -0.0023155300000000, -0.0002017100000000, -0.0002502400000000 ] - [ -0.0023629400000000, -0.0006547000000000, -0.0001942100000000 ] - [ -0.0012893700000000, 0.0005683800000000, 0.0003714200000000 ] - [ -0.0035073800000000, -0.0003585500000000, 0.0006555700000000 ] - [ -0.0036645000000000, -0.0005582800000000, -0.0000599100000000 ] - [ -0.0026620800000000, 0.0004550100000000, -0.0001913100000000 ] - [ -0.0024310100000000, -0.0008181600000000, -0.0005649600000000 ] - [ -0.0026033300000000, -0.0001491200000000, 0.0008568700000000 ] - [ -0.0037249600000000, 0.0005481400000000, 0.0000890100000000 ] - [ -0.0023590000000000, -0.0003114900000000, 0.0005956500000000 ] - [ -0.0027295400000000, 0.0004969400000000, 0.0008192100000000 ] - [ -0.0027741200000000, -0.0003682800000000, 0.0002706300000000 ] - [ -0.0023850300000000, 0.0008194800000000, -0.0005643300000000 ] - [ -0.0025404200000000, 0.0002825500000000, 0.0006804000000000 ] - [ -0.0026279600000000, 0.0002194500000000, -0.0001876100000000 ] - [ -0.0026501600000000, -0.0004396900000000, -0.0002965800000000 ] - [ 0.0024727100000000, 0.0010456500000000, -0.0010834700000000 ] - [ 0.0012041400000000, -0.0018689800000000, 0.0031083600000000 ] - [ -0.0032917700000000, -0.0008704500000000, 0.0000203300000000 ] - [ 0.0020730100000000, -0.0012406000000000, 0.0012649600000000 ] - [ -0.0002362800000000, 0.0006304500000000, 0.0018631800000000 ] - [ -0.0003908900000000, 0.0001683900000000, -0.0005353800000000 ] - [ 0.0015620400000000, -0.0005285600000000, 0.0017031200000000 ] - [ -0.0009810500000000, -0.0001531500000000, 0.0004765700000000 ] - [ 0.0004723900000000, -0.0000041100000000, 0.0005236300000000 ] - [ 0.0002761200000000, 0.0001626200000000, 0.0001691400000000 ] - [ 0.0009187700000000, 0.0004601900000000, 0.0003961400000000 ] - [ 0.0021507600000000, 0.0007699200000000, 0.0015876200000000 ] - [ 0.0011887200000000, -0.0007932500000000, -0.0004908700000000 ] - [ 0.0013388300000000, 0.0000132100000000, 0.0012518400000000 ] - [ -0.0041877500000000, 0.0005327400000000, 0.0049469200000000 ] - [ 0.0014892500000000, -0.0004596500000000, -0.0013903000000000 ] - [ -0.0075060100000000, 0.0110700100000000, 0.0154242200000000 ] - [ 0.0025199900000000, 0.0021197800000000, -0.0026002000000000 ] - [ 0.0014139300000000, -0.0001470000000000, -0.0006544700000000 ] - [ -0.0004830000000000, -0.0003030100000000, -0.0016675800000000 ] - [ -0.0008056900000000, -0.0000367100000000, 0.0004141200000000 ] - [ -0.1136119100000000, -0.0681845700000000, -0.0527329200000000 ] - [ -0.0007459400000000, 0.0016740800000000, 0.0022681400000000 ] - [ -0.0037576000000000, 0.0019312600000000, 0.0022109400000000 ] - [ -0.0025668100000000, 0.0015121800000000, -0.0028317800000000 ] - [ -0.1180855500000000, 0.0096686200000000, 0.1015441300000000 ] - [ 0.0019372600000000, 0.0004578500000000, -0.0004943300000000 ] - [ 0.0007334400000000, -0.0000450500000000, 0.0005936000000000 ] - [ -0.0147427500000000, 0.0061712900000000, 0.0020718800000000 ] - [ -0.0045328900000000, 0.0014480000000000, -0.0021135800000000 ] - [ -0.0002204100000000, -0.0003451200000000, -0.0015993900000000 ] - [ -0.0026294500000000, 0.0024316900000000, -0.0004532400000000 ] - [ -0.0078144600000000, -0.0040407300000000, 0.0003629000000000 ] - [ 0.0018097000000000, 0.0012290500000000, 0.0007764600000000 ] - [ -0.0089739400000000, -0.0050656000000000, 0.0052020100000000 ] - [ 0.0014400600000000, -0.0006252400000000, 0.0011361900000000 ] - [ -0.0001736600000000, -0.0001325000000000, 0.0001432200000000 ] - [ 0.0007510100000000, -0.0003465200000000, 0.0002209000000000 ] - [ 0.0009725000000000, -0.0008110500000000, 0.0011963700000000 ] - [ -0.0054937300000000, 0.0000226600000000, -0.0074626400000000 ] - [ 0.0042961000000000, -0.0002043300000000, 0.0034802200000000 ] - [ 0.0031952700000000, -0.0013831600000000, -0.0005887800000000 ] - [ -0.0076350200000000, -0.0013757400000000, -0.0046865200000000 ] - [ 0.0015947800000000, -0.0000447700000000, -0.0001294300000000 ] - [ -0.0789432600000000, 0.0846965400000000, -0.0265544200000000 ] - [ 0.0034026500000000, -0.0009791000000000, -0.0021083800000000 ] - [ -0.0015639700000000, 0.0002270700000000, -0.0026357100000000 ] - [ -0.0001532700000000, -0.0000715100000000, 0.0000318400000000 ] - [ 0.0005389300000000, 0.0003302700000000, -0.0004040400000000 ] - [ 0.0012094400000000, 0.0003465400000000, -0.0005144000000000 ] - [ 0.0006330000000000, -0.0001034700000000, 0.0000266500000000 ] - [ 0.0006353600000000, -0.0004595500000000, 0.0003741100000000 ] - [ 0.0017039700000000, -0.0006213100000000, -0.0003171200000000 ] - [ 0.0006281900000000, 0.0001897100000000, -0.0000314800000000 ] - [ 0.0016046700000000, -0.0011620500000000, -0.0006576400000000 ] - [ 0.0007113500000000, -0.0001955600000000, -0.0002591900000000 ] - [ 0.0010417400000000, -0.0001771100000000, 0.0000781600000000 ] - [ 0.0014572900000000, -0.0002760500000000, 0.0010485200000000 ] - [ 0.0009863300000000, 0.0003824900000000, -0.0005152300000000 ] - [ 0.0011394700000000, 0.0003144800000000, 0.0006037400000000 ] - [ 0.0013425400000000, -0.0003177700000000, 0.0006248500000000 ] - [ 0.0011885400000000, 0.0004566100000000, 0.0002597800000000 ] - [ 0.0008933500000000, 0.0000628300000000, -0.0003521500000000 ] - [ 0.0013569400000000, -0.0005102000000000, -0.0003382100000000 ] - [ 0.0013176000000000, 0.0003581700000000, -0.0000002900000000 ] - [ 0.0019262100000000, 0.0007942900000000, -0.0003278000000000 ] - [ 0.0012064400000000, 0.0001293800000000, -0.0000513600000000 ] - [ 0.0024718300000000, -0.0000001300000000, 0.0006617000000000 ] - [ 0.0004581500000000, -0.0003268300000000, -0.0003794900000000 ] - [ 0.0020566300000000, 0.0002361400000000, 0.0002190000000000 ] - [ 0.0012330000000000, -0.0006675700000000, -0.0005035000000000 ] - [ 0.0018522300000000, 0.0008564200000000, 0.0002241300000000 ] - [ 0.0012979400000000, -0.0003565100000000, 0.0000531500000000 ] - [ 0.0009057600000000, -0.0000618800000000, -0.0003492900000000 ] - [ 0.0012750200000000, 0.0002030800000000, -0.0000909000000000 ] - [ 0.0010533500000000, -0.0000134300000000, 0.0003254300000000 ] - [ 0.0017368400000000, -0.0005804900000000, -0.0001152700000000 ] - [ 0.0020349600000000, -0.0002337800000000, 0.0002221500000000 ] - [ 0.0015927800000000, 0.0011034700000000, -0.0005389800000000 ] - [ 0.0012041900000000, -0.0003410000000000, -0.0004852900000000 ] - [ 0.0017319300000000, 0.0005749200000000, -0.0001015400000000 ] - [ 0.0019285400000000, 0.0011710500000000, 0.0010562400000000 ] - [ 0.0009004800000000, -0.0001670000000000, -0.0001694400000000 ] - [ 0.0007253700000000, -0.0001577900000000, -0.0001503400000000 ] - [ 0.0013098900000000, 0.0004349900000000, -0.0005165400000000 ] - [ 0.0010042200000000, -0.0001840200000000, -0.0004115700000000 ] - [ 0.0008529600000000, -0.0008643100000000, 0.0010027400000000 ] - [ 0.0008977500000000, 0.0001799400000000, -0.0001476100000000 ] - [ 0.0024036800000000, 0.0000022000000000, 0.0005611400000000 ] - [ 0.0014061100000000, -0.0004676800000000, -0.0005576100000000 ] - [ 0.0019297900000000, -0.0008864600000000, 0.0002551700000000 ] - [ 0.0012849600000000, 0.0000237200000000, 0.0000748900000000 ] - [ 0.0006492500000000, 0.0001019400000000, 0.0000258400000000 ] - [ 0.0007459300000000, 0.0001829700000000, -0.0003180100000000 ] - [ 0.0012182200000000, 0.0006594600000000, -0.0004602700000000 ] - [ 0.0005485500000000, 0.0004932400000000, 0.0006449300000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044444900000000, 0.0108571600000000, 0.0010771100000000 ] - [ -0.0007062100000000, -0.0004547600000000, -0.0002650300000000 ] - [ -0.0009879500000000, -0.0003989100000000, 0.0005605300000000 ] - [ -0.0003883800000000, 0.0003387600000000, 0.0007743600000000 ] - [ 0.0002740100000000, 0.0001140500000000, -0.0002954800000000 ] - [ -0.0001077200000000, -0.0002424100000000, 0.0002024600000000 ] - [ 0.0002743800000000, -0.0001145500000000, -0.0002907300000000 ] - [ -0.0001163400000000, 0.0002419900000000, 0.0002072300000000 ] - [ -0.0053115400000000, 0.0343061400000000, -0.0103439000000000 ] - [ -0.0019197400000000, -0.0014370100000000, -0.0020276400000000 ] - [ -0.0001567900000000, 0.0002863400000000, -0.0000020200000000 ] - [ 0.0024879100000000, 0.0001901500000000, -0.0000026900000000 ] - [ 0.0010458800000000, 0.0002215200000000, -0.0003227000000000 ] - [ 0.0010448300000000, -0.0002192500000000, -0.0003259900000000 ] - [ 0.0010252300000000, 0.0001613900000000, 0.0001576500000000 ] - [ 0.0007668200000000, -0.0002170800000000, 0.0000985500000000 ] - [ -0.0002729200000000, -0.0002168000000000, 0.0010839300000000 ] - [ 0.0012743300000000, -0.0008631100000000, -0.0000348100000000 ] - [ 0.0011711100000000, 0.0006691100000000, 0.0010793900000000 ] - [ 0.0000731900000000, 0.0001007700000000, 0.0004031200000000 ] - [ -0.0023700600000000, -0.0006416600000000, 0.0004772300000000 ] - [ -0.0065511800000000, 0.0269311800000000, 0.0233602900000000 ] - [ 0.0251272900000000, -0.3630884600000000, -0.0170817400000000 ] - [ 0.0006411800000000, -0.0006879700000000, 0.0012351800000000 ] - [ 0.0165990000000000, -0.0155355300000000, 0.0123879800000000 ] - [ 0.0005591600000000, -0.0002598400000000, 0.0008149500000000 ] - [ 0.0028393900000000, -0.0012763700000000, -0.0009706100000000 ] - [ 0.0004510900000000, -0.0001609600000000, 0.0002750500000000 ] - [ -0.0020980600000000, 0.0013887400000000, 0.0004826500000000 ] - [ 0.0008884100000000, 0.0116450400000000, -0.0096051600000000 ] - [ 0.0005677500000000, 0.0019815100000000, -0.0006978600000000 ] - [ -0.0025748000000000, -0.0048234600000000, 0.0015261600000000 ] - [ 0.0006921900000000, -0.0000020500000000, 0.0000273300000000 ] - [ 0.0013417800000000, -0.0007831100000000, 0.0003558400000000 ] - [ 0.0012966900000000, 0.0008773200000000, 0.0006134500000000 ] - [ 0.0006830900000000, 0.0008357900000000, 0.0007614800000000 ] - [ 0.0016017800000000, 0.0001288700000000, -0.0002067700000000 ] - [ 0.0008185600000000, -0.0000156200000000, -0.0002471000000000 ] - [ 0.0009454900000000, 0.0001284000000000, 0.0000230900000000 ] - [ 0.0003114100000000, -0.0006794600000000, 0.0009563900000000 ] - [ 0.0015781800000000, -0.0001250000000000, -0.0002221400000000 ] - [ 0.0011242900000000, -0.0001897200000000, 0.0000997700000000 ] - [ 0.0007595500000000, 0.0002942400000000, -0.0002821400000000 ] - [ 0.0009105300000000, -0.0003547400000000, -0.0000874700000000 ] - [ 0.0009475300000000, -0.0001339200000000, 0.0000408400000000 ] - [ 0.0011720200000000, 0.0002047700000000, 0.0000238000000000 ] - [ 0.0006840600000000, 0.0000060000000000, -0.0000305800000000 ] - [ 0.0008422700000000, 0.0000240500000000, -0.0002142300000000 ] - [ -0.0021008100000000, -0.0008066900000000, 0.0005307400000000 ] - [ 0.0049111400000000, 0.0057793600000000, 0.0019541700000000 ] - [ 0.0006245300000000, -0.0004071600000000, -0.0005447100000000 ] - [ -0.0010854300000000, -0.0003402800000000, 0.0015091600000000 ] - [ -0.0003120900000000, 0.0004048900000000, 0.0000380300000000 ] - [ -0.0002382300000000, -0.0000548000000000, -0.0007430400000000 ] - [ -0.0021823400000000, 0.0004864700000000, -0.0011349000000000 ] - [ -0.0001290300000000, 0.0001755400000000, 0.0000520000000000 ] - [ 0.0003252300000000, 0.0000202400000000, -0.0002187100000000 ] - [ -0.0009413800000000, 0.0002709400000000, 0.0002146300000000 ] - [ -0.0003361600000000, -0.0000766800000000, -0.0008691800000000 ] - [ -0.0014259400000000, -0.0003249700000000, 0.0002412600000000 ] - [ 0.0002290600000000, -0.0005583700000000, 0.0007819900000000 ] - [ -0.0003002300000000, 0.0011603400000000, -0.0001888800000000 ] - [ 0.0011051100000000, 0.0004223000000000, -0.0006246200000000 ] - [ -0.0003201500000000, -0.0000627800000000, -0.0002169800000000 ] - [ -0.0032254800000000, -0.0023008700000000, -0.0060666400000000 ] - [ 0.0012220300000000, -0.0006563800000000, 0.0001288100000000 ] - [ -0.0000543800000000, 0.0005920500000000, 0.0000199100000000 ] - [ 0.0010136200000000, 0.0000120900000000, 0.0004503000000000 ] - [ -0.0004330500000000, -0.0000443800000000, -0.0009731800000000 ] - [ 0.0639692100000000, 0.0860922400000000, 0.0458376200000000 ] - [ -0.0023396600000000, -0.0024187000000000, -0.0050796500000000 ] - [ 0.0011242200000000, -0.0001571700000000, -0.0009844700000000 ] - [ -0.0000296600000000, 0.0000213700000000, 0.0014940900000000 ] - [ -0.0010544100000000, 0.0274239900000000, 0.0069418000000000 ] - [ -0.0002064300000000, -0.0001154300000000, 0.0006458400000000 ] - [ -0.0002816800000000, -0.0006828300000000, 0.0001857900000000 ] - [ 0.0089883100000000, -0.0103564200000000, 0.0043160800000000 ] - [ 0.0015875300000000, -0.0001843900000000, 0.0000717900000000 ] - [ -0.0002756000000000, 0.0000772900000000, 0.0001650700000000 ] - [ -0.0000730200000000, 0.0007661500000000, 0.0004926700000000 ] - [ 0.0021864500000000, 0.0002607000000000, -0.0013630200000000 ] - [ -0.0005475500000000, 0.0002115700000000, 0.0007889200000000 ] - [ 0.0018084600000000, -0.0020041900000000, -0.0031113600000000 ] - [ -0.0011523800000000, -0.0006711200000000, -0.0000416300000000 ] - [ 0.0007635500000000, 0.0003284600000000, -0.0007372500000000 ] - [ -0.0001669700000000, -0.0004514900000000, -0.0000599300000000 ] - [ -0.0006765500000000, -0.0001384700000000, 0.0006286100000000 ] - [ -0.0025210500000000, 0.0080807800000000, 0.0010122000000000 ] - [ -0.0036722400000000, 0.0012712800000000, -0.0050599100000000 ] - [ 0.0022388100000000, 0.0003912200000000, 0.0010918200000000 ] - [ 0.0059912400000000, -0.0070191000000000, 0.0017479200000000 ] - [ -0.0002165700000000, 0.0007279200000000, 0.0006972800000000 ] - [ -0.0972544800000000, 0.1976636700000000, -0.0503930900000000 ] - [ -0.0001947200000000, -0.0023648300000000, 0.0019027400000000 ] - [ 0.0011571300000000, 0.0007554300000000, -0.0005093400000000 ] - [ -0.0004055600000000, -0.0000152800000000, 0.0004410300000000 ] - [ -0.0008126700000000, 0.0000829800000000, -0.0003286600000000 ] - [ -0.0007070600000000, -0.0006985200000000, -0.0000644700000000 ] - [ -0.0003959000000000, -0.0001226800000000, -0.0000378500000000 ] - [ -0.0004786500000000, -0.0000519400000000, 0.0006604900000000 ] - [ -0.0002987500000000, 0.0004544500000000, 0.0003426700000000 ] - [ -0.0007459200000000, -0.0000229500000000, -0.0006157500000000 ] - [ -0.0004891600000000, 0.0000365500000000, 0.0000980200000000 ] - [ -0.0002921300000000, 0.0001417500000000, -0.0001412000000000 ] - [ -0.0000122700000000, 0.0000943800000000, 0.0001660300000000 ] - [ -0.0012047200000000, 0.0003187700000000, 0.0001352100000000 ] - [ -0.0003828800000000, -0.0000609700000000, -0.0005293600000000 ] - [ -0.0009129000000000, -0.0003285900000000, 0.0002927200000000 ] - [ 0.0000612200000000, -0.0007128000000000, 0.0004280800000000 ] - [ 0.0000743800000000, 0.0007365700000000, 0.0003670600000000 ] - [ -0.0002137500000000, 0.0000373900000000, -0.0001806700000000 ] - [ -0.0004238300000000, 0.0000277600000000, -0.0004647700000000 ] - [ -0.0001581800000000, -0.0003313400000000, 0.0000110900000000 ] - [ -0.0003784500000000, -0.0005130300000000, 0.0003726100000000 ] - [ -0.0002515900000000, 0.0005438200000000, 0.0000042300000000 ] - [ -0.0005836900000000, -0.0000273300000000, -0.0002545600000000 ] - [ -0.0008141600000000, -0.0000762600000000, -0.0003399000000000 ] - [ -0.0004019800000000, 0.0001168600000000, -0.0005151600000000 ] - [ -0.0007814600000000, 0.0001685300000000, -0.0002164000000000 ] - [ -0.0003199800000000, 0.0001799100000000, -0.0004502800000000 ] - [ -0.0001599900000000, 0.0003344700000000, -0.0000133300000000 ] - [ -0.0002161400000000, -0.0000384500000000, -0.0001710500000000 ] - [ -0.0000317800000000, -0.0000786200000000, 0.0002774500000000 ] - [ -0.0003112700000000, -0.0007227500000000, 0.0002526900000000 ] - [ -0.0000930900000000, 0.0000507600000000, -0.0002419100000000 ] - [ -0.0004073500000000, -0.0001149600000000, -0.0005212300000000 ] - [ -0.0005313600000000, -0.0000411900000000, 0.0000840200000000 ] - [ -0.0007152800000000, 0.0007030300000000, -0.0000633100000000 ] - [ -0.0000985900000000, -0.0000515800000000, -0.0002483800000000 ] - [ -0.0008107400000000, 0.0000949400000000, 0.0008142600000000 ] - [ -0.0005117500000000, -0.0005432200000000, 0.0002246500000000 ] - [ -0.0007239300000000, 0.0000097700000000, -0.0005869400000000 ] - [ -0.0001401600000000, -0.0001865900000000, -0.0001870600000000 ] - [ -0.0000506200000000, -0.0004116100000000, -0.0000101100000000 ] - [ -0.0004101200000000, -0.0002035000000000, 0.0005927700000000 ] - [ -0.0005150900000000, 0.0005392100000000, 0.0002210000000000 ] - [ -0.0005447500000000, 0.0000306000000000, -0.0002514000000000 ] - [ -0.0001395900000000, 0.0001837800000000, -0.0001803800000000 ] - [ -0.0003372800000000, -0.0001767900000000, -0.0004494300000000 ] - [ -0.0002842200000000, 0.0005810200000000, 0.0005352200000000 ] - [ -0.0003953500000000, 0.0001209100000000, -0.0000333300000000 ] - [ -0.0002927000000000, -0.0001239700000000, -0.0001001200000000 ] - [ -0.0007875700000000, -0.0001717900000000, -0.0002145400000000 ] - [ -0.0004734400000000, 0.0000281800000000, 0.0005205000000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042526700000000, -0.0105961300000000, -0.0016016800000000 ] - [ 0.0000311500000000, -0.0000624000000000, 0.0005893100000000 ] - [ 0.0009455700000000, 0.0001587600000000, -0.0011454600000000 ] - [ -0.0002932800000000, 0.0001812100000000, -0.0004348200000000 ] - [ -0.0002970600000000, 0.0001225200000000, -0.0003016400000000 ] - [ -0.0005726400000000, -0.0002755600000000, 0.0001312200000000 ] - [ -0.0002975800000000, -0.0001225900000000, -0.0003066800000000 ] - [ -0.0005645900000000, 0.0002755500000000, 0.0001256500000000 ] - [ 0.0052769200000000, -0.0338608100000000, 0.0094732700000000 ] - [ 0.0020370500000000, 0.0012412900000000, 0.0012298100000000 ] - [ -0.0000186800000000, 0.0002231500000000, 0.0002016900000000 ] - [ -0.0026389500000000, -0.0006951700000000, 0.0002029200000000 ] - [ -0.0008041100000000, 0.0000835300000000, -0.0003768600000000 ] - [ -0.0008033800000000, -0.0000855600000000, -0.0003733700000000 ] - [ -0.0011897100000000, 0.0003455600000000, 0.0000485700000000 ] - [ -0.0009326200000000, -0.0002927300000000, 0.0000964300000000 ] - [ 0.0002540200000000, 0.0001144700000000, -0.0011685200000000 ] - [ -0.0000007300000000, -0.0007541900000000, 0.0008590700000000 ] - [ 0.0001003500000000, 0.0009475700000000, -0.0002453400000000 ] - [ -0.0006118100000000, 0.0010625300000000, 0.0012540700000000 ] - [ 0.0031656200000000, 0.0005804100000000, -0.0007912900000000 ] - [ 0.0069473300000000, -0.0267358200000000, -0.0234696500000000 ] - [ -0.0162795400000000, 0.3541301200000000, 0.0248928000000000 ] - [ -0.0012076700000000, -0.0004591000000000, 0.0004404800000000 ] - [ -0.0155915100000000, 0.0154689100000000, -0.0125898900000000 ] - [ 0.0001189900000000, -0.0001767400000000, -0.0004123500000000 ] - [ -0.0027392200000000, 0.0019637600000000, 0.0009417600000000 ] - [ -0.0003824400000000, -0.0005365000000000, -0.0003314500000000 ] - [ 0.0024456500000000, -0.0012208500000000, -0.0006474400000000 ] - [ 0.0000099300000000, -0.0112523000000000, 0.0099635200000000 ] - [ -0.0005869800000000, -0.0018801700000000, 0.0005866400000000 ] - [ 0.0025934000000000, 0.0047381200000000, -0.0020002400000000 ] - [ -0.0007027000000000, -0.0000975600000000, -0.0001232200000000 ] - [ -0.0000631000000000, -0.0008340100000000, 0.0004769200000000 ] - [ -0.0000276000000000, 0.0007403200000000, 0.0002125900000000 ] - [ -0.0012344300000000, 0.0003186800000000, 0.0009043000000000 ] - [ -0.0007482300000000, -0.0001755600000000, -0.0001234000000000 ] - [ -0.0006917100000000, 0.0001813900000000, -0.0002199700000000 ] - [ -0.0005277400000000, -0.0002840100000000, -0.0002218100000000 ] - [ -0.0008667400000000, -0.0004735300000000, 0.0007110500000000 ] - [ -0.0007243200000000, 0.0001716300000000, -0.0001096200000000 ] - [ -0.0004107100000000, -0.0002487400000000, 0.0002759700000000 ] - [ -0.0006739100000000, 0.0003971800000000, 0.0002330300000000 ] - [ -0.0008232600000000, -0.0003375700000000, 0.0000406900000000 ] - [ -0.0005297300000000, 0.0002893000000000, -0.0002392700000000 ] - [ -0.0004577400000000, 0.0002334400000000, 0.0003508500000000 ] - [ -0.0006918500000000, 0.0000934300000000, -0.0000657500000000 ] - [ -0.0007151600000000, -0.0001897900000000, -0.0002528800000000 ] - [ 0.0010626500000000, 0.0010748500000000, -0.0012151900000000 ] - [ -0.0054431500000000, -0.0066661300000000, -0.0022841200000000 ] - [ -0.0009382000000000, 0.0001737500000000, 0.0004922400000000 ] - [ 0.0005956900000000, 0.0000791200000000, -0.0003705600000000 ] - [ 0.0006000500000000, 0.0000313000000000, 0.0003652200000000 ] - [ -0.0006076400000000, 0.0001072900000000, -0.0002360600000000 ] - [ 0.0020828900000000, -0.0009205000000000, 0.0010017600000000 ] - [ 0.0000053900000000, -0.0000516200000000, -0.0003734300000000 ] - [ 0.0001506200000000, 0.0000292500000000, 0.0005523900000000 ] - [ -0.0001159200000000, 0.0001043900000000, 0.0004931500000000 ] - [ 0.0002340600000000, 0.0001916500000000, -0.0001064000000000 ] - [ 0.0003504500000000, -0.0000575400000000, 0.0004539800000000 ] - [ 0.0004316700000000, -0.0007444400000000, 0.0000339000000000 ] - [ 0.0009576400000000, 0.0001476500000000, 0.0009967400000000 ] - [ -0.0010210200000000, -0.0003385200000000, 0.0001619000000000 ] - [ 0.0002183300000000, -0.0000532900000000, -0.0007521100000000 ] - [ 0.0036644100000000, 0.0021973000000000, 0.0061837200000000 ] - [ -0.0009816200000000, 0.0001955000000000, 0.0003053500000000 ] - [ 0.0003063000000000, 0.0002126200000000, -0.0001270700000000 ] - [ -0.0008004000000000, -0.0000574300000000, -0.0005692700000000 ] - [ -0.0006128200000000, -0.0002234000000000, 0.0002719800000000 ] - [ -0.0669848800000000, -0.0880862900000000, -0.0493503700000000 ] - [ 0.0016207500000000, 0.0023637900000000, 0.0044498100000000 ] - [ -0.0007898800000000, 0.0008253200000000, 0.0003802400000000 ] - [ 0.0003957200000000, 0.0003224500000000, -0.0015082400000000 ] - [ 0.0016996600000000, -0.0274751600000000, -0.0083343300000000 ] - [ 0.0006769800000000, 0.0000652700000000, -0.0003037700000000 ] - [ 0.0003429100000000, -0.0003355700000000, 0.0005355300000000 ] - [ -0.0084823300000000, 0.0101463900000000, -0.0049309600000000 ] - [ -0.0012827100000000, -0.0001074600000000, -0.0007789600000000 ] - [ 0.0002056600000000, 0.0003747400000000, -0.0002822700000000 ] - [ -0.0004906000000000, 0.0001837300000000, -0.0008016700000000 ] - [ -0.0015198900000000, -0.0000754100000000, 0.0009359600000000 ] - [ 0.0001668300000000, 0.0004807500000000, 0.0007345300000000 ] - [ -0.0021751800000000, 0.0011272500000000, 0.0033418400000000 ] - [ 0.0002966800000000, 0.0006140000000000, -0.0009297100000000 ] - [ -0.0003749900000000, -0.0004132900000000, 0.0002096800000000 ] - [ 0.0004262100000000, -0.0003498800000000, -0.0000554000000000 ] - [ 0.0003044200000000, -0.0005584200000000, 0.0008915600000000 ] - [ 0.0021346600000000, -0.0071100800000000, -0.0007830400000000 ] - [ 0.0038245100000000, -0.0012081700000000, 0.0048791500000000 ] - [ -0.0018440600000000, -0.0002946300000000, -0.0016043300000000 ] - [ -0.0057696700000000, 0.0063500900000000, -0.0023158300000000 ] - [ 0.0002698600000000, 0.0002914800000000, 0.0000285000000000 ] - [ 0.0912202800000000, -0.1869801300000000, 0.0461112000000000 ] - [ 0.0000522000000000, 0.0022434200000000, -0.0022243600000000 ] - [ -0.0018118300000000, -0.0007275300000000, -0.0000460300000000 ] - [ -0.0000680900000000, 0.0002899000000000, 0.0007081200000000 ] - [ -0.0002377500000000, 0.0001855400000000, -0.0003650500000000 ] - [ 0.0001290100000000, -0.0002430800000000, -0.0002548500000000 ] - [ 0.0000608200000000, -0.0001127100000000, -0.0000059900000000 ] - [ -0.0000012600000000, -0.0002188100000000, 0.0004875800000000 ] - [ 0.0005662900000000, -0.0000080500000000, 0.0000746900000000 ] - [ -0.0001041600000000, 0.0000754300000000, -0.0003616100000000 ] - [ 0.0003981800000000, -0.0004744600000000, -0.0002198000000000 ] - [ 0.0001568000000000, -0.0000180600000000, -0.0001735500000000 ] - [ 0.0004856200000000, -0.0000442500000000, 0.0001711500000000 ] - [ 0.0001347000000000, 0.0000603500000000, 0.0005655200000000 ] - [ 0.0002819000000000, 0.0001767800000000, -0.0004419500000000 ] - [ -0.0001539300000000, -0.0000501000000000, 0.0004098700000000 ] - [ 0.0005971900000000, -0.0005927600000000, 0.0003825900000000 ] - [ 0.0005854900000000, 0.0005678600000000, 0.0004469700000000 ] - [ 0.0002738800000000, 0.0000494100000000, -0.0002480900000000 ] - [ 0.0003198300000000, -0.0001424600000000, -0.0005082400000000 ] - [ 0.0004854100000000, -0.0000309000000000, -0.0000009600000000 ] - [ 0.0006452300000000, 0.0000661600000000, 0.0000452400000000 ] - [ 0.0005064200000000, 0.0002599900000000, -0.0001156300000000 ] - [ 0.0007799200000000, -0.0000190100000000, 0.0001278200000000 ] - [ -0.0002355500000000, -0.0001922100000000, -0.0003545000000000 ] - [ 0.0006705500000000, 0.0001669000000000, -0.0001963600000000 ] - [ 0.0000962800000000, -0.0001954400000000, -0.0003316400000000 ] - [ 0.0006388000000000, 0.0004813600000000, -0.0001465700000000 ] - [ 0.0004870500000000, 0.0000281300000000, 0.0000235100000000 ] - [ 0.0002759800000000, -0.0000480100000000, -0.0002572800000000 ] - [ 0.0005032500000000, 0.0000284300000000, 0.0000607600000000 ] - [ 0.0003684200000000, -0.0002969800000000, 0.0004700100000000 ] - [ 0.0007063500000000, -0.0002247800000000, -0.0001882100000000 ] - [ 0.0006756000000000, -0.0001688400000000, -0.0001902400000000 ] - [ 0.0004403000000000, 0.0004789900000000, -0.0002064200000000 ] - [ 0.0001372800000000, 0.0002384700000000, -0.0002562800000000 ] - [ 0.0007119100000000, 0.0002256600000000, -0.0001818900000000 ] - [ 0.0004325700000000, 0.0005989100000000, 0.0007088900000000 ] - [ 0.0001067900000000, -0.0003772500000000, 0.0000533100000000 ] - [ -0.0001273300000000, -0.0000621400000000, -0.0003895000000000 ] - [ 0.0005192500000000, 0.0000966900000000, -0.0003353800000000 ] - [ 0.0003072600000000, -0.0003910300000000, -0.0001011400000000 ] - [ 0.0000360400000000, -0.0004916000000000, 0.0009279800000000 ] - [ 0.0001095700000000, 0.0003815100000000, 0.0000570500000000 ] - [ 0.0007421700000000, 0.0000163800000000, 0.0001249900000000 ] - [ 0.0005176500000000, -0.0000935400000000, -0.0003421400000000 ] - [ 0.0006559900000000, -0.0004845500000000, -0.0001469600000000 ] - [ 0.0003414600000000, 0.0004374000000000, 0.0001899800000000 ] - [ 0.0000594600000000, 0.0001150600000000, -0.0000107600000000 ] - [ 0.0001573500000000, 0.0000006000000000, -0.0002139700000000 ] - [ 0.0001025200000000, 0.0001988200000000, -0.0003339500000000 ] - [ -0.0000063400000000, 0.0002423700000000, 0.0006260100000000 ]- atom: 23 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0059711300000000, 0.0038593300000000, -0.0076946400000000 ] - [ -0.0034056800000000, -0.0005878300000000, -0.0006212500000000 ] - [ 0.0004181800000000, -0.0001826300000000, 0.0030999200000000 ] - [ 0.0007651500000000, -0.0001393800000000, 0.0019514600000000 ] - [ 0.0001579400000000, 0.0001156900000000, -0.0003021500000000 ] - [ -0.0001746700000000, -0.0002474800000000, 0.0001929200000000 ] - [ 0.0001470100000000, -0.0001164600000000, -0.0002890800000000 ] - [ -0.0002425400000000, 0.0002511700000000, 0.0001843300000000 ] - [ 0.0041275000000000, -0.0008974800000000, 0.0214245500000000 ] - [ -0.0084618400000000, -0.0062993800000000, 0.0384011700000000 ] - [ -0.0024113000000000, 0.0005292300000000, -0.0001875700000000 ] - [ 0.0037894500000000, 0.0003631900000000, 0.0002229000000000 ] - [ 0.0006468300000000, 0.0001947600000000, -0.0003321400000000 ] - [ 0.0006551900000000, -0.0001889600000000, -0.0003361700000000 ] - [ 0.0011499100000000, -0.0000046100000000, 0.0005367400000000 ] - [ -0.0001954200000000, -0.0004319600000000, -0.0002939000000000 ] - [ -0.0008769500000000, -0.0004458400000000, 0.0029301500000000 ] - [ 0.0009117500000000, -0.0009276900000000, -0.0009272700000000 ] - [ 0.0009375200000000, 0.0006008200000000, 0.0018723100000000 ] - [ -0.0008272600000000, 0.0000770200000000, -0.0017319000000000 ] - [ -0.0067423800000000, -0.0004063000000000, 0.0056039300000000 ] - [ 0.0220832600000000, 0.0087817100000000, 0.0177889700000000 ] - [ 0.0224330700000000, -0.0213308600000000, -0.3672020500000000 ] - [ 0.0007434400000000, -0.0006817300000000, 0.0031561100000000 ] - [ 0.0261670600000000, -0.0025396600000000, 0.0051220700000000 ] - [ 0.0043370300000000, 0.0007554100000000, 0.0116902000000000 ] - [ 0.0062034100000000, -0.0015782000000000, -0.0037019800000000 ] - [ -0.0032787400000000, -0.0016471000000000, 0.0035567800000000 ] - [ 0.0024757900000000, -0.0005055600000000, 0.0181090800000000 ] - [ -0.0086421000000000, 0.0054584900000000, -0.0232224400000000 ] - [ 0.0012809900000000, -0.0000146600000000, -0.0030015400000000 ] - [ -0.0176416300000000, 0.0114395900000000, 0.0241575800000000 ] - [ 0.0003510400000000, -0.0000173800000000, 0.0001337000000000 ] - [ 0.0013956800000000, -0.0006668400000000, -0.0000062500000000 ] - [ 0.0007104300000000, 0.0009839900000000, 0.0009233500000000 ] - [ 0.0006634400000000, 0.0009077100000000, 0.0006264200000000 ] - [ 0.0011449700000000, 0.0000734500000000, -0.0001269800000000 ] - [ 0.0004762700000000, 0.0000331900000000, -0.0002791100000000 ] - [ 0.0006304800000000, 0.0000336400000000, -0.0000526500000000 ] - [ -0.0003325300000000, -0.0004546300000000, 0.0010668400000000 ] - [ 0.0010461600000000, -0.0000520300000000, -0.0002633500000000 ] - [ 0.0007393400000000, -0.0001836500000000, 0.0002163300000000 ] - [ 0.0003138400000000, 0.0002488100000000, -0.0003908100000000 ] - [ 0.0006866700000000, -0.0004198200000000, 0.0001622700000000 ] - [ 0.0006308000000000, -0.0000511200000000, 0.0000046500000000 ] - [ 0.0008791700000000, 0.0002251300000000, 0.0000144700000000 ] - [ 0.0004364900000000, 0.0000298400000000, -0.0001792800000000 ] - [ 0.0005309000000000, -0.0000161200000000, -0.0001834400000000 ] - [ -0.0005096300000000, 0.0005224300000000, 0.0028742400000000 ] - [ -0.0056299300000000, -0.0006101900000000, -0.0019430700000000 ] - [ -0.0010667800000000, -0.0043365200000000, -0.0076858400000000 ] - [ -0.0012085100000000, -0.0010796800000000, 0.0034218300000000 ] - [ -0.0004079200000000, -0.0001428700000000, -0.0019977900000000 ] - [ 0.0008285100000000, -0.0004862800000000, -0.0015426600000000 ] - [ -0.0061985000000000, 0.0037886000000000, 0.0001801100000000 ] - [ 0.0011442300000000, 0.0011593100000000, -0.0071516100000000 ] - [ 0.0008082200000000, -0.0000183400000000, -0.0008789800000000 ] - [ 0.0008627000000000, -0.0000553100000000, 0.0004808200000000 ] - [ -0.0003315200000000, -0.0001346200000000, -0.0014333200000000 ] - [ -0.0025998000000000, -0.0006967100000000, 0.0000441500000000 ] - [ 0.0006016900000000, -0.0001702400000000, 0.0013601800000000 ] - [ -0.0003844600000000, 0.0014049800000000, -0.0007741200000000 ] - [ 0.0015835500000000, -0.0006302400000000, -0.0107051000000000 ] - [ -0.0000094500000000, -0.0001478900000000, 0.0004306600000000 ] - [ -0.0057239400000000, -0.0026297500000000, 0.0097210500000000 ] - [ 0.0016542500000000, -0.0007752400000000, 0.0022051500000000 ] - [ 0.0000717900000000, 0.0007975000000000, 0.0004146000000000 ] - [ 0.0046286500000000, -0.0001423800000000, 0.0011724900000000 ] - [ -0.0007164600000000, 0.0000221400000000, -0.0024436800000000 ] - [ 0.0554448800000000, 0.0561888200000000, 0.0664512300000000 ] - [ -0.0036152800000000, 0.0003236800000000, -0.0020840500000000 ] - [ -0.0049705200000000, -0.0016448200000000, -0.0070809700000000 ] - [ 0.0006865400000000, 0.0029434000000000, -0.0116926400000000 ] - [ -0.1291713200000000, 0.0177570300000000, 0.1952277600000000 ] - [ -0.0005307200000000, -0.0000855400000000, 0.0012920700000000 ] - [ 0.0000426200000000, -0.0006621400000000, -0.0009892500000000 ] - [ -0.0080696800000000, 0.0062463300000000, -0.0046971200000000 ] - [ -0.0015722100000000, 0.0035964400000000, -0.0064633300000000 ] - [ 0.0044809600000000, 0.0029835700000000, -0.0012931500000000 ] - [ 0.0037392500000000, -0.0016346100000000, -0.0030115800000000 ] - [ 0.0013571400000000, -0.0020168300000000, -0.0056068800000000 ] - [ -0.0002286800000000, 0.0002922900000000, 0.0011955300000000 ] - [ -0.0029772500000000, -0.0000839500000000, -0.0109926700000000 ] - [ -0.0018517100000000, -0.0009929200000000, 0.0008720100000000 ] - [ 0.0015459600000000, 0.0012968000000000, -0.0025873000000000 ] - [ -0.0000354100000000, -0.0001793100000000, -0.0004887100000000 ] - [ -0.0005929400000000, -0.0002128100000000, 0.0002994200000000 ] - [ 0.0141310700000000, -0.0068335400000000, -0.0113159100000000 ] - [ -0.0068350300000000, 0.0003764300000000, -0.0045549300000000 ] - [ -0.0007377800000000, 0.0013196500000000, 0.0032539300000000 ] - [ 0.0132323100000000, -0.0036303800000000, 0.0065764100000000 ] - [ -0.0003679000000000, 0.0005904700000000, 0.0019797700000000 ] - [ 0.0386300900000000, -0.0687068800000000, 0.0546919300000000 ] - [ -0.0027694200000000, 0.0005123000000000, 0.0095634500000000 ] - [ 0.0051762900000000, 0.0037356900000000, -0.0036455400000000 ] - [ 0.0000169600000000, -0.0005115400000000, -0.0014725600000000 ] - [ -0.0007044400000000, 0.0001198000000000, -0.0003067600000000 ] - [ -0.0005118100000000, -0.0005929800000000, -0.0001011400000000 ] - [ -0.0002983700000000, -0.0001217300000000, -0.0000369200000000 ] - [ -0.0003886100000000, -0.0001138100000000, 0.0007719700000000 ] - [ -0.0000241800000000, 0.0002890800000000, 0.0002561900000000 ] - [ -0.0006390600000000, -0.0000366200000000, -0.0006479700000000 ] - [ -0.0002600700000000, -0.0000734700000000, 0.0000501800000000 ] - [ -0.0001937900000000, 0.0001252700000000, -0.0001906400000000 ] - [ 0.0001851000000000, 0.0001038300000000, -0.0000906300000000 ] - [ -0.0012337600000000, 0.0002529100000000, 0.0000342700000000 ] - [ -0.0000713000000000, -0.0000636800000000, -0.0006150300000000 ] - [ -0.0004482600000000, -0.0002767200000000, 0.0005034500000000 ] - [ 0.0001170600000000, -0.0006505900000000, 0.0004508600000000 ] - [ 0.0002393200000000, 0.0007429600000000, 0.0003389200000000 ] - [ -0.0001044300000000, 0.0000386800000000, -0.0002106900000000 ] - [ -0.0004446400000000, -0.0000534900000000, -0.0003759700000000 ] - [ -0.0000205200000000, -0.0002643800000000, 0.0000356300000000 ] - [ -0.0002472600000000, -0.0004536900000000, 0.0003296200000000 ] - [ -0.0002798900000000, 0.0006082600000000, -0.0000350100000000 ] - [ -0.0003899700000000, -0.0000200400000000, -0.0002026500000000 ] - [ -0.0006787200000000, -0.0000866000000000, -0.0003716100000000 ] - [ -0.0001634900000000, 0.0001302000000000, -0.0004348900000000 ] - [ -0.0005838600000000, 0.0000860400000000, -0.0002359700000000 ] - [ -0.0000957500000000, 0.0002477400000000, -0.0003853800000000 ] - [ -0.0000230500000000, 0.0002736600000000, -0.0000344700000000 ] - [ -0.0001172600000000, -0.0000414000000000, -0.0001792100000000 ] - [ -0.0000151300000000, -0.0000090600000000, 0.0005025800000000 ] - [ -0.0001735200000000, -0.0007560400000000, 0.0000392300000000 ] - [ 0.0000813100000000, -0.0000081300000000, -0.0002245400000000 ] - [ -0.0001868100000000, -0.0001261500000000, -0.0004614300000000 ] - [ -0.0003672600000000, 0.0000670600000000, 0.0000044200000000 ] - [ -0.0005533900000000, 0.0006150300000000, -0.0001076400000000 ] - [ 0.0000716300000000, 0.0000081400000000, -0.0002434500000000 ] - [ -0.0009690700000000, 0.0000470800000000, 0.0009866300000000 ] - [ -0.0003776900000000, -0.0005128800000000, 0.0001936900000000 ] - [ -0.0005628900000000, -0.0000420600000000, -0.0004583400000000 ] - [ 0.0000174600000000, -0.0001270200000000, -0.0002416300000000 ] - [ 0.0002151900000000, -0.0002871500000000, -0.0000160300000000 ] - [ 0.0001154100000000, -0.0003999900000000, 0.0004819400000000 ] - [ -0.0003831500000000, 0.0004998100000000, 0.0001827400000000 ] - [ -0.0001694800000000, 0.0000347100000000, -0.0001431100000000 ] - [ -0.0000176500000000, 0.0001250000000000, -0.0001919500000000 ] - [ -0.0001442900000000, -0.0002368100000000, -0.0003849900000000 ] - [ -0.0001425500000000, 0.0004223100000000, 0.0007213900000000 ] - [ -0.0002986000000000, 0.0001165600000000, -0.0000196600000000 ] - [ -0.0001998400000000, -0.0000788000000000, -0.0000799100000000 ] - [ -0.0006120200000000, -0.0001000800000000, -0.0002445700000000 ] - [ -0.0003635700000000, 0.0000460900000000, 0.0003891700000000 ]- atom: 23 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0059178900000000, -0.0036044200000000, 0.0070234700000000 ] - [ 0.0027204800000000, 0.0000686100000000, 0.0009421400000000 ] - [ -0.0004715100000000, -0.0000562300000000, -0.0036941300000000 ] - [ -0.0014521000000000, 0.0006571600000000, -0.0016104600000000 ] - [ -0.0001825900000000, 0.0001209000000000, -0.0002953000000000 ] - [ -0.0005070700000000, -0.0002706900000000, 0.0001400500000000 ] - [ -0.0001714800000000, -0.0001207800000000, -0.0003084100000000 ] - [ -0.0004389400000000, 0.0002663600000000, 0.0001488500000000 ] - [ -0.0041103700000000, 0.0012632800000000, -0.0219414500000000 ] - [ 0.0085107400000000, 0.0059618500000000, -0.0389292100000000 ] - [ 0.0022277800000000, -0.0000196700000000, 0.0003810500000000 ] - [ -0.0039476900000000, -0.0008713200000000, -0.0000156500000000 ] - [ -0.0004094900000000, 0.0001103600000000, -0.0003664600000000 ] - [ -0.0004180600000000, -0.0001160100000000, -0.0003627600000000 ] - [ -0.0013194600000000, 0.0005134200000000, -0.0003380900000000 ] - [ 0.0000278400000000, -0.0000760900000000, 0.0004974000000000 ] - [ 0.0008463200000000, 0.0003442400000000, -0.0030158200000000 ] - [ 0.0003641200000000, -0.0006909000000000, 0.0017495100000000 ] - [ 0.0003293500000000, 0.0010155100000000, -0.0010377900000000 ] - [ 0.0002644500000000, 0.0010722400000000, 0.0034028900000000 ] - [ 0.0075149200000000, 0.0003572600000000, -0.0059147900000000 ] - [ -0.0217629600000000, -0.0084898200000000, -0.0182567400000000 ] - [ -0.0120346500000000, 0.0213195000000000, 0.3577206800000000 ] - [ -0.0012983600000000, -0.0004723200000000, -0.0014963600000000 ] - [ -0.0252787100000000, 0.0025230100000000, -0.0052919400000000 ] - [ -0.0036394300000000, -0.0011778300000000, -0.0113353200000000 ] - [ -0.0061220000000000, 0.0022592700000000, 0.0036431200000000 ] - [ 0.0033767500000000, 0.0009664000000000, -0.0036131100000000 ] - [ -0.0021136900000000, 0.0006910500000000, -0.0183372200000000 ] - [ 0.0093171700000000, -0.0050436700000000, 0.0236766100000000 ] - [ -0.0012834600000000, 0.0001081000000000, 0.0029006400000000 ] - [ 0.0179209400000000, -0.0117893700000000, -0.0248714400000000 ] - [ -0.0003615700000000, -0.0000825500000000, -0.0002299000000000 ] - [ -0.0001252900000000, -0.0009503600000000, 0.0008347600000000 ] - [ 0.0005636100000000, 0.0006323500000000, -0.0000938900000000 ] - [ -0.0012158800000000, 0.0002474400000000, 0.0010405300000000 ] - [ -0.0002961700000000, -0.0001209100000000, -0.0002051800000000 ] - [ -0.0003541200000000, 0.0001334900000000, -0.0001881400000000 ] - [ -0.0002177600000000, -0.0001901000000000, -0.0001465400000000 ] - [ -0.0002264700000000, -0.0006970500000000, 0.0005987200000000 ] - [ -0.0001976200000000, 0.0000992300000000, -0.0000683600000000 ] - [ -0.0000306000000000, -0.0002545000000000, 0.0001598800000000 ] - [ -0.0002311600000000, 0.0004424500000000, 0.0003424800000000 ] - [ -0.0006030000000000, -0.0002726800000000, -0.0002071300000000 ] - [ -0.0002178400000000, 0.0002074600000000, -0.0002035100000000 ] - [ -0.0001692900000000, 0.0002131400000000, 0.0003609500000000 ] - [ -0.0004479100000000, 0.0000702800000000, 0.0000831700000000 ] - [ -0.0004088000000000, -0.0001506800000000, -0.0002832000000000 ] - [ -0.0005442500000000, -0.0002468300000000, -0.0035567900000000 ] - [ 0.0051012100000000, -0.0003131600000000, 0.0015786700000000 ] - [ 0.0007470700000000, 0.0040891200000000, 0.0076387200000000 ] - [ 0.0007319400000000, 0.0008090200000000, -0.0022769300000000 ] - [ 0.0006810600000000, 0.0005844100000000, 0.0024170700000000 ] - [ -0.0016693500000000, 0.0005397100000000, 0.0005675200000000 ] - [ 0.0061010100000000, -0.0042224400000000, -0.0002931400000000 ] - [ -0.0012833700000000, -0.0010432600000000, 0.0068717400000000 ] - [ -0.0003298500000000, 0.0000670100000000, 0.0012143400000000 ] - [ -0.0019358300000000, 0.0004346700000000, 0.0002190200000000 ] - [ 0.0002323100000000, 0.0002485500000000, 0.0004551200000000 ] - [ 0.0015368800000000, 0.0003216800000000, 0.0006604700000000 ] - [ 0.0000592700000000, -0.0011327300000000, -0.0005419100000000 ] - [ 0.0010447700000000, -0.0000961700000000, 0.0015806000000000 ] - [ -0.0015001000000000, 0.0007098100000000, 0.0102635900000000 ] - [ -0.0000943900000000, 0.0000341000000000, -0.0013963300000000 ] - [ 0.0061764200000000, 0.0024745200000000, -0.0095569700000000 ] - [ -0.0013605900000000, 0.0003472300000000, -0.0018033900000000 ] - [ 0.0001867800000000, 0.0000049900000000, -0.0005278300000000 ] - [ -0.0044080900000000, 0.0000952900000000, -0.0012861600000000 ] - [ -0.0003220800000000, -0.0002936600000000, 0.0017445900000000 ] - [ -0.0571743500000000, -0.0578748100000000, -0.0679342600000000 ] - [ 0.0029506700000000, -0.0003631600000000, 0.0014798100000000 ] - [ 0.0053067200000000, 0.0023125200000000, 0.0064871900000000 ] - [ -0.0003484800000000, -0.0025855300000000, 0.0117183800000000 ] - [ 0.1216361500000000, -0.0170149100000000, -0.1863904000000000 ] - [ 0.0009982200000000, 0.0000333300000000, -0.0009491400000000 ] - [ 0.0000150400000000, -0.0003556900000000, 0.0017171700000000 ] - [ 0.0085910000000000, -0.0063443100000000, 0.0043340100000000 ] - [ 0.0018790100000000, -0.0038811600000000, 0.0057628300000000 ] - [ -0.0045924100000000, -0.0025581700000000, 0.0011794000000000 ] - [ -0.0042722600000000, 0.0025551300000000, 0.0026744300000000 ] - [ -0.0007054800000000, 0.0022434000000000, 0.0051960800000000 ] - [ -0.0001434600000000, 0.0004038400000000, 0.0003263500000000 ] - [ 0.0025354900000000, -0.0008935900000000, 0.0112439700000000 ] - [ 0.0009996800000000, 0.0009441500000000, -0.0018579200000000 ] - [ -0.0011522000000000, -0.0013802600000000, 0.0020597400000000 ] - [ 0.0002915200000000, -0.0006250000000000, 0.0003791400000000 ] - [ 0.0002176900000000, -0.0004819300000000, 0.0012240400000000 ] - [ -0.0146354100000000, 0.0079099800000000, 0.0114619700000000 ] - [ 0.0070115000000000, -0.0003176900000000, 0.0043852200000000 ] - [ 0.0011058000000000, -0.0012313100000000, -0.0037728100000000 ] - [ -0.0129211400000000, 0.0029735700000000, -0.0072364300000000 ] - [ 0.0004283900000000, 0.0004275200000000, -0.0012567900000000 ] - [ -0.0392781600000000, 0.0695389300000000, -0.0541002800000000 ] - [ 0.0026608300000000, -0.0006207000000000, -0.0098719500000000 ] - [ -0.0058224900000000, -0.0036874400000000, 0.0030902100000000 ] - [ -0.0004976600000000, 0.0007822600000000, 0.0026234600000000 ] - [ -0.0003448300000000, 0.0001485300000000, -0.0003869800000000 ] - [ -0.0000653700000000, -0.0003484000000000, -0.0002185800000000 ] - [ -0.0000357400000000, -0.0001128300000000, -0.0000057600000000 ] - [ -0.0000904000000000, -0.0001573900000000, 0.0003763000000000 ] - [ 0.0002941300000000, 0.0001556800000000, 0.0001606300000000 ] - [ -0.0002098900000000, 0.0000896600000000, -0.0003280300000000 ] - [ 0.0001712400000000, -0.0003654900000000, -0.0001724800000000 ] - [ 0.0000595700000000, -0.0000018100000000, -0.0001245600000000 ] - [ 0.0002873800000000, -0.0000536900000000, 0.0004306000000000 ] - [ 0.0001658800000000, 0.0001256300000000, 0.0006661500000000 ] - [ -0.0000314400000000, 0.0001775200000000, -0.0003582200000000 ] - [ -0.0006170200000000, -0.0001016200000000, 0.0002003100000000 ] - [ 0.0005429600000000, -0.0006554600000000, 0.0003614400000000 ] - [ 0.0004203000000000, 0.0005635800000000, 0.0004718500000000 ] - [ 0.0001659900000000, 0.0000482500000000, -0.0002205900000000 ] - [ 0.0003437400000000, -0.0000607100000000, -0.0005967500000000 ] - [ 0.0003491700000000, -0.0000974200000000, -0.0000258200000000 ] - [ 0.0005157500000000, 0.0000078200000000, 0.0000875100000000 ] - [ 0.0005358500000000, 0.0001953700000000, -0.0000773300000000 ] - [ 0.0005909700000000, -0.0000264600000000, 0.0000777900000000 ] - [ -0.0003708700000000, -0.0001816400000000, -0.0003226200000000 ] - [ 0.0004352000000000, 0.0001548800000000, -0.0002749300000000 ] - [ -0.0000999300000000, -0.0001132000000000, -0.0003123100000000 ] - [ 0.0004178800000000, 0.0004143600000000, -0.0002101800000000 ] - [ 0.0003516000000000, 0.0000884900000000, 0.0000440400000000 ] - [ 0.0001786800000000, -0.0000452700000000, -0.0002514900000000 ] - [ 0.0004886600000000, -0.0000408900000000, -0.0001635500000000 ] - [ 0.0002332700000000, -0.0002623800000000, 0.0006839200000000 ] - [ 0.0005345900000000, -0.0001671300000000, -0.0002058600000000 ] - [ 0.0004580600000000, -0.0001588900000000, -0.0002483100000000 ] - [ 0.0002788200000000, 0.0003721800000000, -0.0001280400000000 ] - [ -0.0000237900000000, 0.0003262600000000, -0.0002119300000000 ] - [ 0.0005444200000000, 0.0001672400000000, -0.0001872400000000 ] - [ 0.0005902600000000, 0.0006465900000000, 0.0005356400000000 ] - [ -0.0000256400000000, -0.0004067000000000, 0.0000840300000000 ] - [ -0.0002859000000000, -0.0000105200000000, -0.0005181800000000 ] - [ 0.0003621700000000, 0.0000368700000000, -0.0002808100000000 ] - [ 0.0000421600000000, -0.0005161400000000, -0.0000937400000000 ] - [ -0.0004867400000000, -0.0002959000000000, 0.0010402100000000 ] - [ -0.0000205700000000, 0.0004198400000000, 0.0000948700000000 ] - [ 0.0003707400000000, 0.0000123300000000, 0.0000173000000000 ] - [ 0.0003975000000000, -0.0000350100000000, -0.0003310500000000 ] - [ 0.0004660700000000, -0.0004252400000000, -0.0002102800000000 ] - [ 0.0002006600000000, 0.0005959000000000, 0.0000034800000000 ] - [ -0.0000361700000000, 0.0001184200000000, -0.0000232900000000 ] - [ 0.0000653900000000, -0.0000444600000000, -0.0002345900000000 ] - [ -0.0000719000000000, 0.0001272000000000, -0.0003035900000000 ] - [ -0.0001148000000000, 0.0002248000000000, 0.0007570100000000 ]- atom: 26 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0005292800000000, 0.0001061800000000, 0.0004576200000000 ] - [ 0.0005831000000000, -0.0001650800000000, 0.0006904500000000 ] - [ 0.0012625500000000, 0.0001653600000000, -0.0016132800000000 ] - [ 0.0004495200000000, 0.0002117500000000, -0.0000691500000000 ] - [ 0.0010002200000000, 0.0001064100000000, -0.0003609800000000 ] - [ 0.0004319900000000, -0.0002236300000000, 0.0000737700000000 ] - [ 0.0011358400000000, -0.0000982500000000, -0.0001912400000000 ] - [ 0.0006009400000000, 0.0001752100000000, 0.0005442000000000 ] - [ -0.0021793200000000, -0.0008367300000000, -0.0036714800000000 ] - [ 0.0169522800000000, -0.0020711700000000, 0.0107969500000000 ] - [ 0.0040754100000000, 0.0000148600000000, 0.0002779800000000 ] - [ 0.0030511000000000, -0.0001112200000000, -0.0000345500000000 ] - [ 0.0034887600000000, 0.0004075300000000, -0.0001859700000000 ] - [ 0.0037316900000000, -0.0004095300000000, -0.0003199700000000 ] - [ 0.0050449600000000, 0.0004687600000000, -0.0031380900000000 ] - [ 0.0010448700000000, -0.0003628600000000, 0.0022159500000000 ] - [ 0.0030378600000000, 0.0002677600000000, -0.0002537800000000 ] - [ 0.0031583300000000, -0.0009866100000000, 0.0009906800000000 ] - [ 0.0033037000000000, 0.0010643200000000, 0.0005014800000000 ] - [ -0.0049259700000000, -0.0009671900000000, 0.0003114700000000 ] - [ 0.0071362400000000, 0.0007485000000000, -0.0000319200000000 ] - [ -0.0248760700000000, 0.0139641100000000, 0.0232727100000000 ] - [ -0.0017419600000000, 0.0001451100000000, 0.0038538200000000 ] - [ 0.0223048100000000, -0.0141045700000000, -0.0018196500000000 ] - [ 0.0026083900000000, -0.0000714700000000, -0.0003716300000000 ] - [ -0.3445376000000000, 0.0123071700000000, 0.0197682300000000 ] - [ -0.0020052800000000, 0.0051939900000000, -0.0160374500000000 ] - [ -0.0086674600000000, 0.0013100000000000, 0.0205742600000000 ] - [ 0.0074768100000000, -0.0003504700000000, -0.0089214600000000 ] - [ -0.0113228000000000, 0.0009466800000000, 0.0033297000000000 ] - [ 0.0022023900000000, -0.0000263300000000, 0.0005169200000000 ] - [ -0.0148094900000000, 0.0079876100000000, -0.0167270000000000 ] - [ 0.0036009200000000, 0.0001619300000000, 0.0004737700000000 ] - [ 0.0011422900000000, -0.0010716400000000, -0.0023945000000000 ] - [ 0.0064647100000000, 0.0024661500000000, 0.0056490900000000 ] - [ 0.0025611900000000, 0.0012446400000000, 0.0009152300000000 ] - [ 0.0051695300000000, 0.0005367700000000, -0.0006608300000000 ] - [ 0.0029781600000000, -0.0003049200000000, -0.0002513100000000 ] - [ 0.0029039300000000, 0.0006874700000000, 0.0003251900000000 ] - [ 0.0027809600000000, -0.0013569900000000, 0.0009015800000000 ] - [ 0.0044268900000000, -0.0005210300000000, -0.0001182800000000 ] - [ 0.0033784700000000, -0.0001331400000000, -0.0003001100000000 ] - [ 0.0030411700000000, 0.0002710400000000, -0.0005707900000000 ] - [ 0.0030020800000000, -0.0002397200000000, -0.0006790300000000 ] - [ 0.0030857100000000, -0.0007349100000000, 0.0004677100000000 ] - [ 0.0033047600000000, 0.0001292800000000, -0.0002817600000000 ] - [ 0.0017872600000000, -0.0000353400000000, -0.0001647500000000 ] - [ 0.0029410500000000, 0.0003018700000000, -0.0001907400000000 ] - [ -0.0014268100000000, -0.0000707200000000, -0.0006009500000000 ] - [ -0.0011046300000000, -0.0010769200000000, 0.0005297000000000 ] - [ -0.0034633700000000, 0.0034131500000000, 0.0008649300000000 ] - [ 0.0016434300000000, -0.0035309800000000, 0.0051395200000000 ] - [ 0.1222767300000000, -0.0868653600000000, -0.0802825800000000 ] - [ -0.0018250300000000, -0.0001142700000000, -0.0009147800000000 ] - [ 0.0104144200000000, -0.0079908300000000, 0.0048979600000000 ] - [ 0.0336290500000000, -0.0084589000000000, 0.0014591200000000 ] - [ -0.0009019400000000, 0.0002850800000000, 0.0005213200000000 ] - [ 0.0005129400000000, -0.0003231100000000, -0.0014626300000000 ] - [ -0.0013745200000000, -0.0003360700000000, -0.0003420500000000 ] - [ 0.0016604600000000, 0.0008069600000000, 0.0037073700000000 ] - [ -0.0007188600000000, -0.0010397800000000, 0.0001587800000000 ] - [ -0.0006138900000000, 0.0008233100000000, 0.0005833200000000 ] - [ -0.0021603500000000, 0.0011242000000000, 0.0046808600000000 ] - [ -0.0013283000000000, 0.0003657900000000, -0.0007493600000000 ] - [ 0.0027129900000000, -0.0027775900000000, -0.0075326500000000 ] - [ 0.0061672900000000, 0.0025590500000000, -0.0030044700000000 ] - [ 0.0010194200000000, 0.0001412000000000, -0.0008537900000000 ] - [ -0.0033142500000000, -0.0001266000000000, -0.0013187400000000 ] - [ -0.0017645100000000, 0.0000701900000000, 0.0000395500000000 ] - [ -0.0000655500000000, -0.0003000000000000, -0.0012743500000000 ] - [ -0.0009538300000000, 0.0002997700000000, 0.0001387400000000 ] - [ 0.1552220600000000, 0.0742448000000000, 0.0595052700000000 ] - [ 0.0100009600000000, -0.0041478300000000, 0.0062545000000000 ] - [ 0.0004842000000000, 0.0004231400000000, -0.0036764600000000 ] - [ -0.0005835800000000, -0.0002157100000000, 0.0001894400000000 ] - [ -0.0047529500000000, 0.0011889700000000, -0.0041776700000000 ] - [ 0.0029154700000000, -0.0027137600000000, -0.0058595900000000 ] - [ -0.0035411100000000, -0.0012356000000000, -0.0008493800000000 ] - [ 0.0092237600000000, 0.0054598200000000, -0.0048188500000000 ] - [ -0.0028051500000000, 0.0021029000000000, -0.0002421000000000 ] - [ 0.0039461700000000, -0.0001899400000000, 0.0034787400000000 ] - [ 0.0007177100000000, 0.0008551900000000, 0.0009157900000000 ] - [ 0.0054717600000000, 0.0060250800000000, -0.0065140300000000 ] - [ -0.0013498200000000, 0.0001493800000000, -0.0009290000000000 ] - [ -0.0014847100000000, -0.0007931100000000, 0.0003226600000000 ] - [ -0.0033518300000000, -0.0010177500000000, 0.0020334300000000 ] - [ -0.0061692300000000, 0.0023816100000000, 0.0001826400000000 ] - [ 0.0028120300000000, -0.0004644800000000, 0.0020725800000000 ] - [ -0.0015272600000000, -0.0000118200000000, -0.0002867800000000 ] - [ -0.0006739600000000, 0.0003671700000000, -0.0002537500000000 ] - [ 0.0054818900000000, -0.0028747100000000, 0.0023022500000000 ] - [ 0.0007412000000000, 0.0003954300000000, 0.0017709400000000 ] - [ 0.0001989000000000, 0.0005400300000000, -0.0007050900000000 ] - [ 0.0043911800000000, 0.0017012200000000, -0.0024878900000000 ] - [ -0.0027825000000000, -0.0012494700000000, -0.0005071600000000 ] - [ 0.0051430200000000, -0.0043481200000000, -0.0077504700000000 ] - [ -0.0013945600000000, -0.0000140200000000, -0.0002746800000000 ] - [ -0.0017808600000000, -0.0012768600000000, 0.0001141200000000 ] - [ -0.0010749300000000, -0.0001473600000000, -0.0000803400000000 ] - [ -0.0011181200000000, 0.0002327600000000, 0.0006036000000000 ] - [ -0.0016828100000000, 0.0012326200000000, 0.0007780200000000 ] - [ -0.0020628200000000, -0.0001475000000000, -0.0008216500000000 ] - [ -0.0018063000000000, 0.0007534900000000, 0.0005082900000000 ] - [ -0.0009199600000000, 0.0003259400000000, -0.0000134300000000 ] - [ -0.0012751900000000, 0.0004447300000000, -0.0002116700000000 ] - [ -0.0024445700000000, 0.0007043400000000, -0.0001145100000000 ] - [ -0.0018633400000000, -0.0012143000000000, -0.0018745200000000 ] - [ -0.0025584600000000, -0.0006955000000000, -0.0002146100000000 ] - [ -0.0004115900000000, -0.0003751900000000, 0.0017551400000000 ] - [ -0.0010995000000000, 0.0016209800000000, -0.0012348000000000 ] - [ -0.0009043400000000, 0.0000173900000000, -0.0001492000000000 ] - [ -0.0006224500000000, -0.0001263700000000, 0.0003391400000000 ] - [ -0.0010384600000000, -0.0007341100000000, 0.0000060600000000 ] - [ -0.0016197000000000, -0.0011884300000000, 0.0007648600000000 ] - [ -0.0008818000000000, 0.0006526700000000, 0.0001563700000000 ] - [ -0.0025018300000000, -0.0000227300000000, -0.0005579400000000 ] - [ -0.0018461400000000, 0.0001538400000000, -0.0003340500000000 ] - [ -0.0018169900000000, 0.0000589300000000, -0.0009434900000000 ] - [ -0.0019135500000000, 0.0006223800000000, -0.0001896900000000 ] - [ -0.0017142200000000, -0.0002509000000000, -0.0008721300000000 ] - [ -0.0010699900000000, 0.0007769700000000, -0.0000441600000000 ] - [ -0.0008912800000000, -0.0000273400000000, 0.0000044200000000 ] - [ -0.0003433200000000, -0.0000700800000000, 0.0008348800000000 ] - [ -0.0011978000000000, -0.0010136200000000, 0.0005803000000000 ] - [ -0.0012234200000000, 0.0004392900000000, -0.0003093200000000 ] - [ -0.0019876000000000, -0.0000286300000000, -0.0009924900000000 ] - [ -0.0017928000000000, -0.0007577800000000, 0.0005195200000000 ] - [ -0.0019676800000000, 0.0013933300000000, 0.0002972200000000 ] - [ -0.0012015900000000, -0.0004307300000000, -0.0003556600000000 ] - [ -0.0017367700000000, -0.0003363400000000, 0.0004863200000000 ] - [ -0.0013976400000000, -0.0007792700000000, 0.0004769500000000 ] - [ -0.0011667600000000, 0.0000801000000000, -0.0009520400000000 ] - [ -0.0013269900000000, -0.0006858800000000, 0.0000900800000000 ] - [ -0.0009555900000000, -0.0006897800000000, 0.0001073100000000 ] - [ -0.0019794900000000, 0.0004120400000000, 0.0005245000000000 ] - [ -0.0013508000000000, 0.0007516200000000, 0.0004400300000000 ] - [ -0.0021542700000000, 0.0000936900000000, -0.0010352400000000 ] - [ -0.0008039700000000, 0.0004649700000000, -0.0000121000000000 ] - [ -0.0016521900000000, 0.0002435800000000, -0.0008693300000000 ] - [ -0.0011680900000000, 0.0010447800000000, 0.0004868600000000 ] - [ -0.0009842100000000, 0.0001198800000000, -0.0000600600000000 ] - [ -0.0009103600000000, -0.0003282600000000, -0.0000154900000000 ] - [ -0.0021130300000000, -0.0007303600000000, 0.0000872900000000 ] - [ -0.0011351000000000, -0.0002266200000000, 0.0006674600000000 ]- atom: 26 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0005516000000000, 0.0001309300000000, -0.0010601300000000 ] - [ -0.0012675800000000, -0.0003543800000000, -0.0003614600000000 ] - [ -0.0012986000000000, -0.0004045400000000, 0.0010296500000000 ] - [ -0.0011344700000000, 0.0003064200000000, 0.0004047300000000 ] - [ -0.0010305300000000, 0.0001303300000000, -0.0002369600000000 ] - [ -0.0011179800000000, -0.0002953400000000, 0.0002569700000000 ] - [ -0.0011652600000000, -0.0001390700000000, -0.0004058200000000 ] - [ -0.0012856300000000, 0.0003429400000000, -0.0002107800000000 ] - [ 0.0024264200000000, 0.0011377900000000, 0.0030017900000000 ] - [ -0.0168492900000000, 0.0017523700000000, -0.0116584500000000 ] - [ -0.0042646600000000, 0.0004949500000000, -0.0000805300000000 ] - [ -0.0032320700000000, -0.0003977000000000, 0.0002353000000000 ] - [ -0.0032711000000000, -0.0001037200000000, -0.0005126900000000 ] - [ -0.0035126300000000, 0.0001058000000000, -0.0003795900000000 ] - [ -0.0052210600000000, 0.0000414900000000, 0.0033155500000000 ] - [ -0.0012466500000000, -0.0001498400000000, -0.0020054800000000 ] - [ -0.0030673100000000, -0.0003699200000000, 0.0001617200000000 ] - [ -0.0018988100000000, -0.0006309200000000, -0.0001644200000000 ] - [ -0.0020462500000000, 0.0005522000000000, 0.0003291400000000 ] - [ 0.0043313700000000, 0.0021167300000000, 0.0013566500000000 ] - [ -0.0063260900000000, -0.0008002000000000, -0.0003106400000000 ] - [ 0.0251764500000000, -0.0136601200000000, -0.0236545100000000 ] - [ 0.0021867100000000, -0.0002953200000000, -0.0040636100000000 ] - [ -0.0229092800000000, 0.0129226300000000, 0.0033769500000000 ] - [ -0.0017599100000000, 0.0001170300000000, 0.0000451900000000 ] - [ 0.3490532900000000, -0.0048389400000000, -0.0100439900000000 ] - [ 0.0020367700000000, -0.0045943100000000, 0.0159678500000000 ] - [ 0.0086845900000000, -0.0018941800000000, -0.0205226900000000 ] - [ -0.0070335700000000, 0.0005324700000000, 0.0088144700000000 ] - [ 0.0120066300000000, -0.0005376300000000, -0.0029460800000000 ] - [ -0.0022214500000000, 0.0001263100000000, -0.0006143500000000 ] - [ 0.0151015300000000, -0.0082496500000000, 0.0162620200000000 ] - [ -0.0036201000000000, -0.0002626700000000, -0.0005657000000000 ] - [ 0.0001014400000000, -0.0005460500000000, 0.0032084000000000 ] - [ -0.0051857300000000, -0.0008354200000000, -0.0047879400000000 ] - [ -0.0031335200000000, -0.0000924000000000, 0.0007487300000000 ] - [ -0.0043377600000000, -0.0005871500000000, 0.0003290700000000 ] - [ -0.0028685100000000, 0.0004755500000000, -0.0002146200000000 ] - [ -0.0025047600000000, -0.0008477600000000, -0.0005268500000000 ] - [ -0.0033553800000000, 0.0002058900000000, 0.0007621300000000 ] - [ -0.0035993300000000, 0.0005716900000000, -0.0002106500000000 ] - [ -0.0026862100000000, -0.0002998900000000, 0.0006786600000000 ] - [ -0.0029728100000000, 0.0004161800000000, 0.0005269200000000 ] - [ -0.0029334900000000, -0.0004478800000000, 0.0006369400000000 ] - [ -0.0026852300000000, 0.0008950200000000, -0.0006681100000000 ] - [ -0.0026122000000000, 0.0003039100000000, 0.0006599300000000 ] - [ -0.0018150000000000, 0.0001367400000000, 0.0000688300000000 ] - [ -0.0028314200000000, -0.0004726800000000, -0.0002744500000000 ] - [ 0.0003807400000000, 0.0003415900000000, -0.0000902100000000 ] - [ 0.0005299300000000, 0.0001387800000000, -0.0008561900000000 ] - [ 0.0031693300000000, -0.0037220500000000, -0.0009210800000000 ] - [ -0.0021197600000000, 0.0032895500000000, -0.0040244600000000 ] - [ -0.1186037500000000, 0.0833509100000000, 0.0764343300000000 ] - [ 0.0009852800000000, 0.0001692000000000, -0.0000598400000000 ] - [ -0.0105072100000000, 0.0075531000000000, -0.0049803800000000 ] - [ -0.0339603800000000, 0.0090390200000000, -0.0025833300000000 ] - [ 0.0013834300000000, -0.0002386700000000, -0.0001828800000000 ] - [ -0.0015278200000000, 0.0006784800000000, 0.0021868400000000 ] - [ 0.0012814900000000, 0.0004520100000000, -0.0006348100000000 ] - [ -0.0026889000000000, -0.0011632300000000, -0.0029728100000000 ] - [ 0.0013854400000000, -0.0002629900000000, 0.0006536900000000 ] - [ 0.0012795900000000, 0.0004816200000000, 0.0002251100000000 ] - [ 0.0022175000000000, -0.0010425900000000, -0.0051464500000000 ] - [ 0.0012343900000000, -0.0004818700000000, -0.0002235800000000 ] - [ -0.0024188200000000, 0.0023573000000000, 0.0074663400000000 ] - [ -0.0058707500000000, -0.0029866500000000, 0.0034113900000000 ] - [ -0.0007498900000000, 0.0006576500000000, 0.0007315600000000 ] - [ 0.0035325500000000, 0.0000782900000000, 0.0011994400000000 ] - [ 0.0007236900000000, -0.0003414300000000, -0.0007357800000000 ] - [ 0.0003234600000000, 0.0005801600000000, 0.0005578600000000 ] - [ 0.0002683000000000, -0.0003276600000000, -0.0006936400000000 ] - [ -0.1618895600000000, -0.0781531800000000, -0.0645538800000000 ] - [ -0.0097848900000000, 0.0046176800000000, -0.0061131900000000 ] - [ -0.0004321100000000, -0.0005083800000000, 0.0032674600000000 ] - [ 0.0010617000000000, 0.0001686600000000, 0.0001519200000000 ] - [ 0.0047976900000000, -0.0021402700000000, 0.0049003000000000 ] - [ -0.0023600600000000, 0.0025597900000000, 0.0053955600000000 ] - [ 0.0038385100000000, 0.0009710200000000, 0.0001410400000000 ] - [ -0.0093118900000000, -0.0050198300000000, 0.0046850300000000 ] - [ 0.0022373300000000, -0.0011653400000000, -0.0000707200000000 ] - [ -0.0033770400000000, 0.0003562700000000, -0.0039458900000000 ] - [ -0.0010735300000000, -0.0001517800000000, 0.0006154400000000 ] - [ -0.0059648300000000, -0.0070478500000000, 0.0068354700000000 ] - [ 0.0005060100000000, -0.0002040900000000, -0.0000468000000000 ] - [ 0.0018768900000000, 0.0007087600000000, -0.0008485500000000 ] - [ 0.0036166100000000, 0.0002243100000000, -0.0021401100000000 ] - [ 0.0058097500000000, -0.0030878200000000, 0.0013651500000000 ] - [ -0.0032683600000000, 0.0014264600000000, -0.0017532800000000 ] - [ 0.0017353400000000, 0.0000613500000000, 0.0001574000000000 ] - [ 0.0010568300000000, -0.0002785500000000, -0.0002688500000000 ] - [ -0.0051610000000000, 0.0022135500000000, -0.0028957400000000 ] - [ -0.0006640700000000, 0.0006123900000000, -0.0010516600000000 ] - [ -0.0005423700000000, -0.0003017000000000, 0.0006665700000000 ] - [ -0.0045206400000000, -0.0018082800000000, 0.0021887800000000 ] - [ 0.0021060200000000, 0.0012812500000000, -0.0000364500000000 ] - [ -0.0054960400000000, 0.0046997700000000, 0.0089412400000000 ] - [ 0.0003522100000000, 0.0002851800000000, -0.0004183500000000 ] - [ 0.0012116100000000, 0.0003398800000000, -0.0004365300000000 ] - [ 0.0007438600000000, -0.0000880600000000, 0.0000398300000000 ] - [ 0.0006428100000000, -0.0005029500000000, 0.0005396100000000 ] - [ 0.0019643600000000, -0.0007949600000000, -0.0003673700000000 ] - [ 0.0012186000000000, 0.0002023500000000, -0.0001534700000000 ] - [ 0.0017229200000000, -0.0011948100000000, -0.0006307500000000 ] - [ 0.0007895500000000, -0.0002063300000000, -0.0002980400000000 ] - [ 0.0017524800000000, -0.0003983400000000, 0.0005473800000000 ] - [ 0.0013869500000000, -0.0003316200000000, 0.0008191000000000 ] - [ 0.0017684600000000, 0.0013255200000000, 0.0008924900000000 ] - [ 0.0015022200000000, 0.0003231400000000, 0.0009204700000000 ] - [ 0.0010797700000000, -0.0009246900000000, -0.0009371400000000 ] - [ 0.0017637900000000, -0.0003143600000000, 0.0020359200000000 ] - [ 0.0009680100000000, 0.0000687900000000, -0.0002850000000000 ] - [ 0.0005338900000000, 0.0000073500000000, -0.0013090900000000 ] - [ 0.0013732600000000, 0.0003738900000000, 0.0000025400000000 ] - [ 0.0019008000000000, 0.0007504000000000, -0.0003538900000000 ] - [ 0.0011420600000000, 0.0001496200000000, -0.0002720700000000 ] - [ 0.0027151300000000, -0.0000256800000000, 0.0004349800000000 ] - [ 0.0008014100000000, -0.0004246100000000, -0.0003598900000000 ] - [ 0.0020968200000000, 0.0002266200000000, 0.0002370800000000 ] - [ 0.0012363200000000, -0.0006529600000000, -0.0003615500000000 ] - [ 0.0020442100000000, 0.0009130500000000, 0.0002791500000000 ] - [ 0.0014044200000000, -0.0004160600000000, 0.0000523400000000 ] - [ 0.0009548200000000, -0.0000586000000000, -0.0004369900000000 ] - [ 0.0008259800000000, 0.0000241800000000, -0.0004931100000000 ] - [ 0.0012622000000000, -0.0000008700000000, 0.0001451900000000 ] - [ 0.0018466400000000, -0.0006167400000000, -0.0001239200000000 ] - [ 0.0022661900000000, -0.0002569200000000, 0.0002855700000000 ] - [ 0.0017099800000000, 0.0011992400000000, -0.0006429500000000 ] - [ 0.0013975100000000, -0.0004558700000000, -0.0006186400000000 ] - [ 0.0018250600000000, 0.0006083300000000, -0.0000781000000000 ] - [ 0.0013693500000000, 0.0010347300000000, 0.0010420100000000 ] - [ 0.0010007500000000, -0.0001392600000000, -0.0001973200000000 ] - [ 0.0003272300000000, -0.0001351900000000, -0.0000235600000000 ] - [ 0.0017125500000000, 0.0005985700000000, -0.0006139100000000 ] - [ 0.0012163500000000, -0.0001123600000000, -0.0002222900000000 ] - [ 0.0016145700000000, -0.0011111900000000, 0.0010033900000000 ] - [ 0.0009540200000000, 0.0001666200000000, -0.0001608900000000 ] - [ 0.0023705700000000, -0.0000441600000000, 0.0009084800000000 ] - [ 0.0011919500000000, -0.0003784600000000, -0.0005124800000000 ] - [ 0.0019824000000000, -0.0009059100000000, 0.0002764600000000 ] - [ 0.0012320900000000, -0.0000304800000000, 0.0002391400000000 ] - [ 0.0006529900000000, 0.0001159200000000, 0.0000193800000000 ] - [ 0.0007799700000000, 0.0002087700000000, -0.0002955200000000 ] - [ 0.0014348300000000, 0.0007603300000000, -0.0006370900000000 ] - [ 0.0006600000000000, 0.0004966000000000, 0.0004748900000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000486100000000, 0.0001589300000000, -0.0002062400000000 ] - [ -0.0002686000000000, -0.0002565400000000, 0.0002338000000000 ] - [ -0.0002000900000000, -0.0002211100000000, -0.0004352000000000 ] - [ -0.0003914100000000, 0.0002674200000000, 0.0001515600000000 ] - [ 0.0000194000000000, 0.0001173600000000, -0.0002843300000000 ] - [ -0.0003356200000000, -0.0002514600000000, 0.0001986600000000 ] - [ 0.0000107000000000, -0.0001192500000000, -0.0003144500000000 ] - [ -0.0003094600000000, 0.0002580600000000, 0.0001400800000000 ] - [ -0.0001957500000000, 0.0003035300000000, 0.0006159800000000 ] - [ 0.0045414700000000, -0.0031434400000000, 0.0017977300000000 ] - [ 0.0001092800000000, 0.0002295000000000, 0.0001013500000000 ] - [ -0.0000609800000000, -0.0002557900000000, 0.0000952300000000 ] - [ 0.0002392600000000, 0.0001608300000000, -0.0003549400000000 ] - [ 0.0001827900000000, -0.0001593000000000, -0.0003396500000000 ] - [ -0.0005365800000000, -0.0001224100000000, 0.0004670800000000 ] - [ 0.0011892200000000, 0.0000793900000000, 0.0001880200000000 ] - [ 0.0000623300000000, -0.0000388000000000, -0.0001424700000000 ] - [ 0.0007065200000000, -0.0008098400000000, 0.0004628100000000 ] - [ 0.0006963900000000, 0.0008146700000000, 0.0003858900000000 ] - [ -0.0002700900000000, -0.0005206600000000, 0.0019549400000000 ] - [ 0.0007484800000000, 0.0001056600000000, -0.0006727300000000 ] - [ 0.0043681000000000, 0.0154039900000000, 0.0033613600000000 ] - [ 0.0000719900000000, -0.0001216200000000, 0.0008649500000000 ] - [ -0.0102888200000000, 0.0172506500000000, -0.0020704500000000 ] - [ 0.0003217300000000, -0.0000508300000000, -0.0000535900000000 ] - [ 0.0084788500000000, -0.2937881500000000, 0.0059670000000000 ] - [ 0.0040915400000000, -0.0105182900000000, 0.0020477000000000 ] - [ -0.0017267000000000, 0.0120164900000000, 0.0066692000000000 ] - [ -0.0026900300000000, 0.0115491200000000, -0.0054171500000000 ] - [ -0.0003957900000000, 0.0008769400000000, 0.0015772000000000 ] - [ 0.0000327600000000, 0.0000645600000000, 0.0000369500000000 ] - [ 0.0103796200000000, -0.0257753700000000, 0.0053115500000000 ] - [ -0.0000593600000000, -0.0000299300000000, -0.0001919200000000 ] - [ 0.0007237600000000, -0.0005594700000000, 0.0012751200000000 ] - [ 0.0004674300000000, -0.0005817700000000, -0.0009083500000000 ] - [ -0.0002128800000000, 0.0005898100000000, 0.0008424000000000 ] - [ 0.0004591200000000, -0.0000134700000000, -0.0001649700000000 ] - [ 0.0001323300000000, 0.0000742800000000, -0.0002244500000000 ] - [ 0.0002928800000000, -0.0000498000000000, -0.0000655300000000 ] - [ -0.0001879600000000, -0.0006006500000000, 0.0008275500000000 ] - [ 0.0006476300000000, -0.0000140300000000, -0.0001280600000000 ] - [ 0.0004314700000000, -0.0002188700000000, 0.0001702200000000 ] - [ 0.0001252600000000, 0.0003473900000000, -0.0000301200000000 ] - [ 0.0001146400000000, -0.0003412300000000, -0.0000481400000000 ] - [ 0.0002643000000000, 0.0000652100000000, -0.0001075200000000 ] - [ 0.0004353900000000, 0.0002158900000000, 0.0001805800000000 ] - [ 0.0001115700000000, 0.0000132400000000, 0.0001111000000000 ] - [ 0.0001415500000000, -0.0000721900000000, -0.0002425100000000 ] - [ -0.0005540800000000, 0.0001263300000000, -0.0004118300000000 ] - [ -0.0001790400000000, -0.0003941400000000, -0.0002458300000000 ] - [ -0.0000010300000000, 0.0007184200000000, 0.0012643800000000 ] - [ -0.0011834000000000, 0.0016630600000000, 0.0014623400000000 ] - [ -0.0690529200000000, 0.0928235400000000, 0.0615239100000000 ] - [ -0.0004973400000000, 0.0000542300000000, -0.0004369200000000 ] - [ -0.0044759200000000, 0.0039172400000000, 0.0057709200000000 ] - [ -0.0060297900000000, 0.1174522400000000, -0.0983539400000000 ] - [ 0.0001980400000000, 0.0000287700000000, 0.0002074500000000 ] - [ -0.0025150500000000, -0.0001975500000000, -0.0017994100000000 ] - [ -0.0000733200000000, 0.0000526000000000, -0.0004671400000000 ] - [ -0.0019289900000000, 0.0000719700000000, -0.0002600500000000 ] - [ 0.0002919400000000, -0.0006757500000000, 0.0003736600000000 ] - [ 0.0003155400000000, 0.0006476600000000, 0.0004272800000000 ] - [ 0.0007980200000000, -0.0005746300000000, 0.0006362600000000 ] - [ -0.0000894600000000, -0.0000415000000000, -0.0005156300000000 ] - [ -0.0007297700000000, -0.0016492100000000, -0.0007663500000000 ] - [ 0.0008497500000000, -0.0002707800000000, -0.0004856000000000 ] - [ -0.0000805500000000, 0.0004101900000000, -0.0002443800000000 ] - [ -0.0002269900000000, -0.0000460500000000, -0.0001173300000000 ] - [ -0.0005065600000000, -0.0001383400000000, -0.0002633500000000 ] - [ -0.0000000500000000, 0.0000235300000000, -0.0005433300000000 ] - [ -0.0003143500000000, -0.0000413700000000, -0.0003618800000000 ] - [ 0.0637611200000000, 0.0694563300000000, 0.0330570600000000 ] - [ 0.0028408000000000, 0.0077412200000000, -0.0129850700000000 ] - [ 0.0004463200000000, 0.0001501600000000, -0.0010490500000000 ] - [ 0.0002297400000000, -0.0000289500000000, 0.0001459800000000 ] - [ 0.0020961400000000, -0.0039845900000000, 0.0029893900000000 ] - [ -0.0000322600000000, -0.0025341600000000, -0.0007022300000000 ] - [ 0.0004058700000000, -0.0015083900000000, 0.0003372400000000 ] - [ 0.0007615100000000, 0.0011378700000000, -0.0025165000000000 ] - [ -0.0006718600000000, 0.0011549100000000, 0.0000548300000000 ] - [ 0.0006166000000000, 0.0028154800000000, -0.0001001200000000 ] - [ -0.0004503300000000, 0.0003827500000000, 0.0003087300000000 ] - [ 0.0009550300000000, -0.0027091500000000, 0.0040607100000000 ] - [ -0.0004199500000000, -0.0000119300000000, -0.0005227600000000 ] - [ 0.0001536500000000, -0.0001005200000000, -0.0001574500000000 ] - [ 0.0020684800000000, -0.0024108400000000, -0.0005246800000000 ] - [ 0.0008117500000000, -0.0016085100000000, 0.0015806000000000 ] - [ -0.0030978800000000, 0.0048396700000000, -0.0026975900000000 ] - [ 0.0001526600000000, 0.0000332000000000, -0.0000460500000000 ] - [ 0.0002047000000000, 0.0000227200000000, -0.0003160700000000 ] - [ 0.0003285800000000, -0.0006517300000000, -0.0003975900000000 ] - [ 0.0000770600000000, 0.0008059500000000, -0.0003433500000000 ] - [ -0.0000833000000000, 0.0002146400000000, -0.0003008700000000 ] - [ 0.0000296200000000, -0.0004124700000000, -0.0012309400000000 ] - [ -0.0007973400000000, -0.0004852100000000, -0.0000756800000000 ] - [ -0.0029060600000000, -0.0087616800000000, -0.0078287300000000 ] - [ -0.0005682200000000, 0.0001141900000000, -0.0003678100000000 ] - [ -0.0003679800000000, -0.0005141400000000, -0.0001435500000000 ] - [ -0.0001827500000000, -0.0001141700000000, -0.0000170600000000 ] - [ -0.0002626600000000, -0.0001251700000000, 0.0005695300000000 ] - [ 0.0000856200000000, 0.0002504300000000, 0.0002248600000000 ] - [ -0.0003838100000000, 0.0000372000000000, -0.0004483100000000 ] - [ -0.0000912000000000, -0.0001946000000000, -0.0000482800000000 ] - [ -0.0000894400000000, 0.0000681400000000, -0.0001506200000000 ] - [ 0.0002757400000000, 0.0000916000000000, 0.0005697200000000 ] - [ -0.0005748700000000, 0.0002026400000000, 0.0003431800000000 ] - [ -0.0001509900000000, 0.0002155800000000, -0.0002248800000000 ] - [ -0.0005982800000000, -0.0002021400000000, 0.0003297000000000 ] - [ 0.0003887700000000, -0.0006904900000000, 0.0000466400000000 ] - [ 0.0004134600000000, 0.0006161200000000, 0.0007928100000000 ] - [ 0.0000035200000000, 0.0000432000000000, -0.0001942100000000 ] - [ -0.0001241400000000, -0.0000343100000000, -0.0006477900000000 ] - [ 0.0001294600000000, -0.0001996800000000, -0.0000024100000000 ] - [ 0.0000888400000000, -0.0002472600000000, 0.0002234200000000 ] - [ 0.0001072700000000, 0.0004050100000000, -0.0000506500000000 ] - [ 0.0000987600000000, -0.0000225000000000, -0.0000797100000000 ] - [ -0.0005250700000000, -0.0001511400000000, -0.0003182700000000 ] - [ 0.0000611300000000, 0.0001384400000000, -0.0003827500000000 ] - [ -0.0004110900000000, 0.0000211300000000, -0.0002539900000000 ] - [ 0.0001173300000000, 0.0003159500000000, -0.0003119300000000 ] - [ 0.0001340700000000, 0.0001908800000000, 0.0000130400000000 ] - [ 0.0000096200000000, -0.0000416900000000, -0.0002291600000000 ] - [ 0.0002388600000000, -0.0000736000000000, -0.0001150600000000 ] - [ -0.0000009700000000, -0.0005182200000000, 0.0003754500000000 ] - [ 0.0002721200000000, -0.0000760800000000, -0.0002234400000000 ] - [ 0.0001041800000000, -0.0001424600000000, -0.0003600300000000 ] - [ -0.0000893200000000, 0.0001938500000000, -0.0000460800000000 ] - [ -0.0003067500000000, 0.0004797600000000, -0.0001619800000000 ] - [ 0.0002642500000000, 0.0000729900000000, -0.0002136200000000 ] - [ -0.0002175600000000, 0.0003324500000000, 0.0007485700000000 ] - [ -0.0002274400000000, -0.0004639600000000, 0.0001438100000000 ] - [ -0.0005332400000000, 0.0000272600000000, -0.0005868800000000 ] - [ 0.0001835600000000, -0.0000465000000000, -0.0002469000000000 ] - [ 0.0000933100000000, -0.0004147200000000, -0.0000497400000000 ] - [ -0.0002448100000000, -0.0003226600000000, 0.0007642700000000 ] - [ -0.0002377000000000, 0.0004708300000000, 0.0001495600000000 ] - [ -0.0001332400000000, 0.0000019200000000, -0.0000696000000000 ] - [ 0.0001434100000000, 0.0000728000000000, -0.0002693600000000 ] - [ 0.0001076400000000, -0.0003156200000000, -0.0003134700000000 ] - [ -0.0000029800000000, 0.0005281900000000, 0.0003555500000000 ] - [ -0.0001962400000000, 0.0001197700000000, -0.0000284100000000 ] - [ -0.0000898400000000, -0.0000704600000000, -0.0001579700000000 ] - [ -0.0003621400000000, 0.0000072400000000, -0.0002844000000000 ] - [ -0.0002625300000000, 0.0001280800000000, 0.0005818900000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000191600000000, 0.0000784000000000, -0.0003907200000000 ] - [ -0.0004157500000000, -0.0002622300000000, 0.0000990300000000 ] - [ 0.0001692300000000, -0.0000171300000000, -0.0001639100000000 ] - [ -0.0002948000000000, 0.0002508800000000, 0.0001804000000000 ] - [ -0.0000489300000000, 0.0001193500000000, -0.0003130600000000 ] - [ -0.0003499500000000, -0.0002671200000000, 0.0001338100000000 ] - [ -0.0000401600000000, -0.0001180000000000, -0.0002833900000000 ] - [ -0.0003754200000000, 0.0002601500000000, 0.0001918100000000 ] - [ 0.0004145700000000, 0.0000017900000000, -0.0013023000000000 ] - [ -0.0042596800000000, 0.0027728400000000, -0.0024675700000000 ] - [ -0.0002924400000000, 0.0002797200000000, 0.0000981300000000 ] - [ -0.0001243700000000, -0.0002533900000000, 0.0001040400000000 ] - [ -0.0000181600000000, 0.0001430500000000, -0.0003445000000000 ] - [ 0.0000375300000000, -0.0001444800000000, -0.0003596000000000 ] - [ 0.0003447900000000, 0.0006289300000000, -0.0002634900000000 ] - [ -0.0013627800000000, -0.0005865800000000, 0.0000136500000000 ] - [ -0.0000844000000000, -0.0000617600000000, 0.0000456400000000 ] - [ 0.0005546200000000, -0.0008065700000000, 0.0003658900000000 ] - [ 0.0005644600000000, 0.0008022400000000, 0.0004417700000000 ] - [ -0.0003005500000000, 0.0016611900000000, -0.0002807000000000 ] - [ 0.0000838800000000, -0.0001555800000000, 0.0003384900000000 ] - [ -0.0042835300000000, -0.0150861000000000, -0.0038892700000000 ] - [ 0.0003298100000000, -0.0000399700000000, -0.0010610600000000 ] - [ 0.0096825100000000, -0.0182692400000000, 0.0036043300000000 ] - [ 0.0005073000000000, 0.0001002300000000, -0.0002767000000000 ] - [ -0.0087187300000000, 0.2978138700000000, -0.0068469900000000 ] - [ -0.0039789800000000, 0.0110808900000000, -0.0020503100000000 ] - [ 0.0017704700000000, -0.0125052600000000, -0.0065069100000000 ] - [ 0.0029890200000000, -0.0113466300000000, 0.0051728600000000 ] - [ 0.0010870500000000, -0.0004388800000000, -0.0011940900000000 ] - [ -0.0000549700000000, 0.0000363000000000, -0.0001317400000000 ] - [ -0.0101309400000000, 0.0253682600000000, -0.0057562000000000 ] - [ 0.0000360000000000, -0.0000712600000000, 0.0000934400000000 ] - [ 0.0005368100000000, -0.0010547400000000, -0.0004360900000000 ] - [ 0.0007992400000000, 0.0021962100000000, 0.0017271800000000 ] - [ -0.0003567500000000, 0.0005609100000000, 0.0008230100000000 ] - [ 0.0003706100000000, -0.0000368800000000, -0.0001669700000000 ] - [ -0.0000233800000000, 0.0000948200000000, -0.0002420200000000 ] - [ 0.0001071300000000, -0.0001098600000000, -0.0001354800000000 ] - [ -0.0003815100000000, -0.0005501600000000, 0.0008376400000000 ] - [ 0.0001842800000000, 0.0000640800000000, -0.0002027100000000 ] - [ 0.0002636800000000, -0.0002182800000000, 0.0002077000000000 ] - [ -0.0000554200000000, 0.0003438700000000, -0.0000136900000000 ] - [ -0.0000448900000000, -0.0003498700000000, 0.0000044900000000 ] - [ 0.0001354900000000, 0.0000948900000000, -0.0000937200000000 ] - [ 0.0002598800000000, 0.0002213400000000, 0.0001972900000000 ] - [ -0.0001334600000000, 0.0000872200000000, -0.0002047800000000 ] - [ -0.0000322800000000, -0.0000968500000000, -0.0002244200000000 ] - [ -0.0004901400000000, 0.0001435700000000, -0.0002818800000000 ] - [ -0.0003891300000000, -0.0005419100000000, -0.0000776500000000 ] - [ -0.0003301100000000, -0.0009369100000000, -0.0012968100000000 ] - [ 0.0006963500000000, -0.0019022100000000, -0.0003249100000000 ] - [ 0.0722722000000000, -0.0939713300000000, -0.0635322600000000 ] - [ -0.0003458100000000, 0.0000013500000000, -0.0005371800000000 ] - [ 0.0043548000000000, -0.0042613500000000, -0.0058573900000000 ] - [ 0.0059728000000000, -0.1198588700000000, 0.1028605000000000 ] - [ 0.0002805400000000, 0.0000193400000000, 0.0001323000000000 ] - [ 0.0014631400000000, 0.0005413400000000, 0.0024864700000000 ] - [ -0.0000211300000000, 0.0000632600000000, -0.0005060100000000 ] - [ 0.0008638900000000, -0.0004429700000000, 0.0009586200000000 ] - [ 0.0003729400000000, -0.0006288200000000, 0.0004367400000000 ] - [ 0.0003497400000000, 0.0006567500000000, 0.0003837000000000 ] - [ -0.0007272400000000, 0.0006593900000000, -0.0010594100000000 ] - [ -0.0000052300000000, -0.0000743800000000, -0.0004577300000000 ] - [ 0.0010525100000000, 0.0012677500000000, 0.0007598800000000 ] - [ -0.0005667000000000, -0.0001682200000000, 0.0008966700000000 ] - [ 0.0003403700000000, 0.0003924000000000, 0.0001295500000000 ] - [ 0.0004359400000000, -0.0000022700000000, -0.0000071700000000 ] - [ -0.0005369500000000, -0.0001313300000000, -0.0004290600000000 ] - [ 0.0002781700000000, 0.0002606100000000, -0.0001662600000000 ] - [ -0.0003624200000000, 0.0000112300000000, -0.0001886100000000 ] - [ -0.0654643400000000, -0.0694094700000000, -0.0347211200000000 ] - [ -0.0025032600000000, -0.0072065700000000, 0.0129259000000000 ] - [ -0.0003778100000000, -0.0002335700000000, 0.0006114200000000 ] - [ 0.0002491300000000, -0.0000188500000000, 0.0001932200000000 ] - [ -0.0020378100000000, 0.0029534600000000, -0.0022338800000000 ] - [ 0.0006498800000000, 0.0023291700000000, 0.0002286000000000 ] - [ -0.0001360400000000, 0.0012010600000000, -0.0010242300000000 ] - [ -0.0008358200000000, -0.0006920300000000, 0.0023667700000000 ] - [ 0.0000976900000000, -0.0002094000000000, -0.0003741700000000 ] - [ -0.0000067500000000, -0.0026244400000000, -0.0003332300000000 ] - [ 0.0000806300000000, 0.0003162900000000, 0.0012127800000000 ] - [ -0.0013539700000000, 0.0017795000000000, -0.0037357000000000 ] - [ -0.0004222600000000, -0.0000427600000000, -0.0004521900000000 ] - [ 0.0002320300000000, 0.0000123900000000, -0.0003650200000000 ] - [ -0.0017720800000000, 0.0015891900000000, 0.0004053000000000 ] - [ -0.0011427700000000, 0.0008899600000000, -0.0000341300000000 ] - [ 0.0026473200000000, -0.0038595100000000, 0.0029822900000000 ] - [ 0.0000615700000000, 0.0000154900000000, -0.0000772400000000 ] - [ 0.0001811500000000, 0.0000647000000000, -0.0002089600000000 ] - [ 0.0000038300000000, -0.0000125300000000, -0.0001983000000000 ] - [ -0.0000112600000000, 0.0002117600000000, 0.0010600900000000 ] - [ -0.0002491800000000, 0.0000222200000000, 0.0002581900000000 ] - [ -0.0001615700000000, 0.0002887900000000, 0.0009168800000000 ] - [ 0.0001178200000000, 0.0005113200000000, -0.0004712700000000 ] - [ 0.0023900600000000, 0.0089749000000000, 0.0088374100000000 ] - [ -0.0004760300000000, 0.0001553100000000, -0.0003254700000000 ] - [ -0.0002027300000000, -0.0004239900000000, -0.0001777800000000 ] - [ -0.0001478000000000, -0.0001200600000000, -0.0000241400000000 ] - [ -0.0002123000000000, -0.0001470300000000, 0.0005764300000000 ] - [ 0.0001921900000000, 0.0001899500000000, 0.0001888300000000 ] - [ -0.0004573300000000, 0.0000182600000000, -0.0005255500000000 ] - [ 0.0000092300000000, -0.0002481700000000, -0.0000765800000000 ] - [ -0.0000416000000000, 0.0000538100000000, -0.0001637200000000 ] - [ 0.0002024100000000, -0.0000449600000000, -0.0002246000000000 ] - [ -0.0004831700000000, 0.0001722100000000, 0.0003612700000000 ] - [ 0.0000546000000000, -0.0001000900000000, -0.0007477700000000 ] - [ -0.0004596100000000, -0.0001721500000000, 0.0003748500000000 ] - [ 0.0002774300000000, -0.0006136800000000, 0.0007597400000000 ] - [ 0.0002511200000000, 0.0006874400000000, 0.0000197100000000 ] - [ 0.0000604900000000, 0.0000430100000000, -0.0002383100000000 ] - [ 0.0000300000000000, -0.0000816300000000, -0.0003274900000000 ] - [ 0.0002040000000000, -0.0001591200000000, 0.0000128500000000 ] - [ 0.0001889800000000, -0.0001929600000000, 0.0001905300000000 ] - [ 0.0001535700000000, 0.0003976100000000, -0.0000626000000000 ] - [ 0.0001145000000000, -0.0000254800000000, -0.0000433500000000 ] - [ -0.0005189200000000, -0.0001188300000000, -0.0003747300000000 ] - [ 0.0002184500000000, 0.0001470600000000, -0.0003241900000000 ] - [ -0.0002663800000000, -0.0000507100000000, -0.0002954600000000 ] - [ 0.0002122400000000, 0.0003476600000000, -0.0002812100000000 ] - [ 0.0001992600000000, 0.0001683100000000, -0.0000022800000000 ] - [ 0.0000543500000000, -0.0000441100000000, -0.0002032500000000 ] - [ 0.0002406300000000, 0.0000253700000000, 0.0004506500000000 ] - [ 0.0000653000000000, -0.0004979200000000, 0.0003480700000000 ] - [ 0.0003506100000000, -0.0001020000000000, -0.0002083400000000 ] - [ 0.0001758000000000, -0.0001432300000000, -0.0003467600000000 ] - [ 0.0000078600000000, 0.0002490200000000, -0.0000793900000000 ] - [ -0.0002631300000000, 0.0004579400000000, -0.0001594800000000 ] - [ 0.0003584300000000, 0.0001052400000000, -0.0002182000000000 ] - [ -0.0001499900000000, 0.0003656300000000, 0.0007772900000000 ] - [ -0.0001703900000000, -0.0004539300000000, 0.0001333200000000 ] - [ -0.0003102200000000, -0.0000814300000000, -0.0003892500000000 ] - [ 0.0002022700000000, -0.0000409800000000, -0.0002767500000000 ] - [ 0.0001673000000000, -0.0003879800000000, -0.0000633900000000 ] - [ -0.0001229100000000, -0.0003752900000000, 0.0007613600000000 ] - [ -0.0001604800000000, 0.0004472300000000, 0.0001274700000000 ] - [ 0.0003440700000000, 0.0000465600000000, -0.0000545200000000 ] - [ 0.0002420000000000, 0.0000151600000000, -0.0002551200000000 ] - [ 0.0002220200000000, -0.0003479700000000, -0.0002792100000000 ] - [ 0.0000672300000000, 0.0004881300000000, 0.0003675500000000 ] - [ -0.0001351800000000, 0.0001151800000000, -0.0000132300000000 ] - [ -0.0000411600000000, -0.0000513400000000, -0.0001562100000000 ] - [ -0.0003146200000000, 0.0000227500000000, -0.0002653200000000 ] - [ -0.0002123900000000, 0.0001441500000000, 0.0005639900000000 ]- atom: 26 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0008420400000000, 0.0002891000000000, 0.0004437200000000 ] - [ -0.0002149400000000, -0.0002377300000000, 0.0003011000000000 ] - [ -0.0018283300000000, -0.0000115300000000, -0.0010655200000000 ] - [ -0.0008245800000000, 0.0002906200000000, 0.0000221700000000 ] - [ -0.0002191500000000, 0.0001199800000000, -0.0002526700000000 ] - [ -0.0006436700000000, -0.0002698000000000, 0.0001930600000000 ] - [ -0.0001918000000000, -0.0001232200000000, -0.0003555500000000 ] - [ -0.0003012000000000, 0.0002579800000000, 0.0001099800000000 ] - [ -0.0060946500000000, 0.0004261600000000, 0.0055001000000000 ] - [ 0.0143764900000000, -0.0021255700000000, -0.0006441800000000 ] - [ -0.0003544100000000, 0.0002107000000000, 0.0000481500000000 ] - [ -0.0010738400000000, -0.0003395100000000, 0.0001331000000000 ] - [ -0.0003779600000000, 0.0001101000000000, -0.0003756200000000 ] - [ -0.0006296300000000, -0.0001048300000000, -0.0003592600000000 ] - [ -0.0045104100000000, 0.0012193500000000, -0.0004146500000000 ] - [ 0.0033247400000000, 0.0009861200000000, 0.0020124700000000 ] - [ -0.0006142800000000, -0.0000169900000000, -0.0005512400000000 ] - [ 0.0002210500000000, -0.0007576500000000, 0.0005131100000000 ] - [ 0.0001110400000000, 0.0007685200000000, 0.0002005600000000 ] - [ 0.0004058100000000, 0.0005712600000000, 0.0110904400000000 ] - [ 0.0006053100000000, -0.0002280600000000, -0.0021676700000000 ] - [ 0.0106837400000000, 0.0046528000000000, 0.0191680500000000 ] - [ 0.0031163500000000, 0.0005277100000000, 0.0113996800000000 ] - [ -0.0178622000000000, 0.0123386800000000, -0.0212341600000000 ] - [ -0.0013238000000000, 0.0000700800000000, 0.0019011100000000 ] - [ 0.0194182100000000, 0.0114740200000000, -0.3785195500000000 ] - [ -0.0157369000000000, 0.0027218500000000, 0.0236232400000000 ] - [ 0.0197098600000000, -0.0041318200000000, 0.0122084400000000 ] - [ -0.0139966900000000, 0.0099324800000000, -0.0236977500000000 ] - [ 0.0036723700000000, -0.0011872100000000, 0.0155875200000000 ] - [ -0.0004124200000000, 0.0001524000000000, 0.0003651800000000 ] - [ -0.0189744300000000, 0.0055477100000000, 0.0465458500000000 ] - [ -0.0006623600000000, -0.0001944000000000, -0.0011970200000000 ] - [ -0.0009016500000000, -0.0011255200000000, 0.0033943700000000 ] - [ 0.0034735300000000, 0.0003183100000000, -0.0031513100000000 ] - [ -0.0008470100000000, 0.0004299300000000, 0.0008651400000000 ] - [ -0.0007155300000000, -0.0001487700000000, -0.0003765300000000 ] - [ -0.0004780200000000, 0.0001573400000000, -0.0002048900000000 ] - [ -0.0002463100000000, -0.0001797900000000, -0.0000847000000000 ] - [ -0.0007606000000000, -0.0004630300000000, 0.0007740700000000 ] - [ 0.0000386600000000, 0.0000491300000000, 0.0001777800000000 ] - [ -0.0001866200000000, -0.0002407000000000, 0.0002470800000000 ] - [ -0.0004622100000000, 0.0003737500000000, 0.0001156500000000 ] - [ -0.0005152200000000, -0.0003528800000000, 0.0000517900000000 ] - [ -0.0003342500000000, 0.0002558600000000, -0.0002900500000000 ] - [ -0.0001670800000000, 0.0002302200000000, 0.0002988700000000 ] - [ -0.0005473800000000, 0.0000093000000000, 0.0007617500000000 ] - [ -0.0004316800000000, -0.0001461700000000, -0.0002668400000000 ] - [ -0.0005338400000000, 0.0001218900000000, -0.0006851200000000 ] - [ 0.0011103600000000, 0.0001999800000000, -0.0008858200000000 ] - [ 0.0007304500000000, 0.0025904600000000, 0.0056499700000000 ] - [ 0.0007138700000000, 0.0022722400000000, -0.0078099300000000 ] - [ -0.0693701700000000, 0.0617692300000000, 0.0941520700000000 ] - [ -0.0003862900000000, 0.0002021200000000, -0.0000951300000000 ] - [ 0.0055716700000000, 0.0012306300000000, -0.0082803400000000 ] - [ 0.0049316400000000, -0.1244838400000000, 0.1763162100000000 ] - [ 0.0003708100000000, -0.0000300300000000, 0.0002741300000000 ] - [ -0.0088709200000000, 0.0045319900000000, -0.0033858300000000 ] - [ 0.0002461300000000, 0.0001583900000000, -0.0003966800000000 ] - [ 0.0041908200000000, 0.0007278800000000, 0.0000137500000000 ] - [ 0.0004393400000000, -0.0006671300000000, 0.0003033000000000 ] - [ 0.0005677800000000, 0.0005507400000000, 0.0005037600000000 ] - [ 0.0017522700000000, -0.0005204600000000, 0.0032607100000000 ] - [ 0.0001299300000000, -0.0001059800000000, -0.0005600200000000 ] - [ -0.0035087100000000, -0.0035493100000000, -0.0080505900000000 ] - [ 0.0000858000000000, 0.0002813300000000, -0.0046457400000000 ] - [ 0.0001921700000000, -0.0009929900000000, -0.0026562100000000 ] - [ -0.0003017800000000, -0.0000203400000000, -0.0000078700000000 ] - [ -0.0000462900000000, -0.0002150700000000, 0.0000083200000000 ] - [ -0.0011921100000000, -0.0011016800000000, -0.0031220800000000 ] - [ 0.0014375200000000, -0.0008757200000000, -0.0013162600000000 ] - [ 0.0587793800000000, 0.0364735200000000, 0.0586179100000000 ] - [ 0.0072601100000000, -0.0076349200000000, 0.0007388900000000 ] - [ -0.0000940900000000, 0.0005162600000000, -0.0037229400000000 ] - [ 0.0004606400000000, 0.0000049900000000, 0.0000014000000000 ] - [ -0.0018251900000000, -0.0009074400000000, 0.0116385500000000 ] - [ -0.0042384000000000, 0.0014910100000000, -0.0023094600000000 ] - [ 0.0015592700000000, -0.0044739000000000, 0.0047225500000000 ] - [ -0.0034599000000000, -0.0026091200000000, -0.0028497500000000 ] - [ -0.0013822700000000, 0.0012396300000000, 0.0005658500000000 ] - [ 0.0070515100000000, 0.0034967300000000, -0.0048663700000000 ] - [ -0.0007199500000000, 0.0002455800000000, -0.0014391900000000 ] - [ -0.0037380300000000, 0.0025904800000000, 0.0011103500000000 ] - [ -0.0000425800000000, 0.0000573800000000, -0.0006824700000000 ] - [ 0.0004237600000000, -0.0001511800000000, 0.0001154000000000 ] - [ 0.0024660100000000, -0.0027213000000000, 0.0013681400000000 ] - [ 0.0054247700000000, -0.0023511900000000, 0.0050588700000000 ] - [ 0.0069642400000000, -0.0056919600000000, -0.0079962900000000 ] - [ 0.0012161500000000, 0.0000430000000000, 0.0000343900000000 ] - [ 0.0004857100000000, -0.0002271900000000, -0.0006939100000000 ] - [ -0.0028679900000000, 0.0032161100000000, -0.0073648400000000 ] - [ 0.0008199900000000, 0.0008375500000000, -0.0052784700000000 ] - [ -0.0001864800000000, 0.0013957200000000, -0.0040349000000000 ] - [ -0.0001455700000000, -0.0026631000000000, -0.0086980500000000 ] - [ -0.0015435700000000, -0.0008876300000000, 0.0007387700000000 ] - [ -0.0063769300000000, -0.0046697300000000, 0.0045593200000000 ] - [ -0.0003184400000000, 0.0000841400000000, -0.0005208500000000 ] - [ -0.0001556600000000, -0.0003983800000000, -0.0002176600000000 ] - [ 0.0000048100000000, -0.0001047600000000, 0.0000192900000000 ] - [ -0.0000834300000000, -0.0001946100000000, 0.0005377800000000 ] - [ 0.0004477700000000, 0.0000517600000000, 0.0001136400000000 ] - [ 0.0002535300000000, 0.0002639900000000, 0.0000684200000000 ] - [ 0.0002641000000000, -0.0003943500000000, -0.0001664200000000 ] - [ 0.0000848200000000, 0.0000089300000000, -0.0001662000000000 ] - [ -0.0001504600000000, -0.0006643600000000, 0.0021764300000000 ] - [ -0.0001315400000000, 0.0000983500000000, 0.0004646900000000 ] - [ -0.0010079100000000, 0.0003071800000000, 0.0003132400000000 ] - [ -0.0002367200000000, -0.0000983800000000, 0.0004190700000000 ] - [ 0.0008072800000000, -0.0009440700000000, -0.0003693000000000 ] - [ 0.0001543100000000, 0.0003476700000000, 0.0008868500000000 ] - [ 0.0001709800000000, 0.0000485800000000, -0.0001660000000000 ] - [ 0.0007598900000000, 0.0001423700000000, -0.0012227900000000 ] - [ 0.0003741500000000, -0.0000958700000000, -0.0000214900000000 ] - [ 0.0004570000000000, -0.0000419900000000, 0.0001034900000000 ] - [ 0.0003465800000000, 0.0003303400000000, -0.0001006400000000 ] - [ 0.0011008300000000, -0.0000605700000000, 0.0001786800000000 ] - [ -0.0003283100000000, -0.0003163700000000, -0.0001571000000000 ] - [ 0.0003966000000000, 0.0001567400000000, -0.0003125600000000 ] - [ -0.0001581200000000, -0.0000761500000000, -0.0002991900000000 ] - [ 0.0005118400000000, 0.0004358100000000, -0.0001878000000000 ] - [ 0.0003888100000000, 0.0000605300000000, 0.0000405800000000 ] - [ 0.0002230600000000, -0.0000454100000000, -0.0003139300000000 ] - [ 0.0007941800000000, -0.0001899000000000, -0.0014240500000000 ] - [ 0.0002571000000000, -0.0003898400000000, 0.0003772100000000 ] - [ 0.0006012100000000, -0.0001891500000000, -0.0002115800000000 ] - [ 0.0005968000000000, -0.0001638700000000, -0.0001818100000000 ] - [ 0.0002730300000000, 0.0003928600000000, -0.0001619800000000 ] - [ 0.0001323300000000, 0.0002396800000000, -0.0002389100000000 ] - [ 0.0005564700000000, 0.0001724300000000, -0.0001757700000000 ] - [ 0.0001579600000000, 0.0004922400000000, 0.0007641800000000 ] - [ 0.0000277100000000, -0.0003917000000000, 0.0000749400000000 ] - [ -0.0004825700000000, 0.0001667000000000, -0.0009267100000000 ] - [ 0.0004106000000000, 0.0001196700000000, -0.0002079400000000 ] - [ 0.0002829500000000, -0.0003786300000000, -0.0000759700000000 ] - [ 0.0000656700000000, -0.0004575900000000, 0.0008515500000000 ] - [ -0.0000141900000000, 0.0004192900000000, 0.0000875000000000 ] - [ -0.0001380900000000, -0.0000300200000000, -0.0000621200000000 ] - [ 0.0004467100000000, -0.0000216700000000, -0.0004353400000000 ] - [ 0.0004665300000000, -0.0004328900000000, -0.0002032500000000 ] - [ 0.0002335100000000, 0.0004434900000000, 0.0002835300000000 ] - [ -0.0000305600000000, 0.0001239600000000, -0.0000462900000000 ] - [ 0.0000829300000000, -0.0000203200000000, -0.0002005500000000 ] - [ 0.0000743100000000, 0.0001869600000000, -0.0003373300000000 ] - [ -0.0000794200000000, 0.0002073100000000, 0.0005877100000000 ]- atom: 26 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0008771300000000, -0.0000525000000000, -0.0010382500000000 ] - [ -0.0004711800000000, -0.0002804300000000, 0.0000331700000000 ] - [ 0.0017923700000000, -0.0002255500000000, 0.0004613400000000 ] - [ 0.0001369500000000, 0.0002274200000000, 0.0003080100000000 ] - [ 0.0001887500000000, 0.0001167300000000, -0.0003440900000000 ] - [ -0.0000421300000000, -0.0002485600000000, 0.0001412300000000 ] - [ 0.0001603700000000, -0.0001141900000000, -0.0002428600000000 ] - [ -0.0003855100000000, 0.0002601400000000, 0.0002202800000000 ] - [ 0.0062815900000000, -0.0001251700000000, -0.0061978900000000 ] - [ -0.0141361400000000, 0.0017877100000000, 0.0000054600000000 ] - [ 0.0001678900000000, 0.0002984600000000, 0.0001524500000000 ] - [ 0.0008809800000000, -0.0001700900000000, 0.0000659400000000 ] - [ 0.0005952600000000, 0.0001931700000000, -0.0003250200000000 ] - [ 0.0008447000000000, -0.0001983900000000, -0.0003402500000000 ] - [ 0.0043154000000000, -0.0007126400000000, 0.0006497200000000 ] - [ -0.0035005700000000, -0.0014969600000000, -0.0018262500000000 ] - [ 0.0005893800000000, -0.0000833800000000, 0.0004514300000000 ] - [ 0.0010350600000000, -0.0008576800000000, 0.0003156400000000 ] - [ 0.0011455000000000, 0.0008472800000000, 0.0006252000000000 ] - [ -0.0009501600000000, 0.0005978100000000, -0.0094463700000000 ] - [ 0.0002297500000000, 0.0001788000000000, 0.0018424200000000 ] - [ -0.0106518000000000, -0.0044533500000000, -0.0195962000000000 ] - [ -0.0027201400000000, -0.0006932800000000, -0.0115948600000000 ] - [ 0.0170616700000000, -0.0133906100000000, 0.0228038200000000 ] - [ 0.0021356000000000, -0.0000170500000000, -0.0022281000000000 ] - [ -0.0204557600000000, -0.0011520600000000, 0.3718884200000000 ] - [ 0.0160004800000000, -0.0021074600000000, -0.0237660400000000 ] - [ -0.0195916700000000, 0.0036264100000000, -0.0122594800000000 ] - [ 0.0144081900000000, -0.0096468500000000, 0.0233544100000000 ] - [ -0.0029535100000000, 0.0016023400000000, -0.0152145100000000 ] - [ 0.0003837100000000, -0.0000511000000000, -0.0004598200000000 ] - [ 0.0189952500000000, -0.0058262000000000, -0.0465742800000000 ] - [ 0.0006251200000000, 0.0000915000000000, 0.0010942900000000 ] - [ 0.0021780600000000, -0.0004891600000000, -0.0025422600000000 ] - [ -0.0022162000000000, 0.0013116200000000, 0.0039507900000000 ] - [ 0.0002730700000000, 0.0007188500000000, 0.0008005100000000 ] - [ 0.0015361700000000, 0.0000984100000000, 0.0000489100000000 ] - [ 0.0005834200000000, 0.0000116200000000, -0.0002617100000000 ] - [ 0.0006441000000000, 0.0000187600000000, -0.0001165900000000 ] - [ 0.0001875300000000, -0.0006863100000000, 0.0008914900000000 ] - [ 0.0007880600000000, 0.0000014700000000, -0.0005101300000000 ] - [ 0.0008785400000000, -0.0001976300000000, 0.0001314600000000 ] - [ 0.0005279900000000, 0.0003182700000000, -0.0001587600000000 ] - [ 0.0005808600000000, -0.0003390600000000, -0.0000954000000000 ] - [ 0.0007307400000000, -0.0000947600000000, 0.0000875600000000 ] - [ 0.0008590500000000, 0.0002080200000000, 0.0000797300000000 ] - [ 0.0005269000000000, 0.0000909800000000, -0.0008568900000000 ] - [ 0.0005375100000000, -0.0000227900000000, -0.0002007000000000 ] - [ -0.0005078500000000, 0.0001477200000000, -0.0000105900000000 ] - [ -0.0016731800000000, -0.0011348800000000, 0.0005640000000000 ] - [ -0.0010739500000000, -0.0028438600000000, -0.0056888900000000 ] - [ -0.0012031600000000, -0.0025211600000000, 0.0089346400000000 ] - [ 0.0730129800000000, -0.0641081000000000, -0.0953784100000000 ] - [ -0.0004561800000000, -0.0001474200000000, -0.0008776700000000 ] - [ -0.0056730700000000, -0.0016799200000000, 0.0080964500000000 ] - [ -0.0048308000000000, 0.1175687600000000, -0.1683121800000000 ] - [ 0.0001079000000000, 0.0000783300000000, 0.0000655100000000 ] - [ 0.0078399700000000, -0.0041973000000000, 0.0041132300000000 ] - [ -0.0003393400000000, -0.0000414600000000, -0.0005751700000000 ] - [ -0.0052925800000000, -0.0011209700000000, 0.0006567600000000 ] - [ 0.0002263800000000, -0.0006378300000000, 0.0005065200000000 ] - [ 0.0000988800000000, 0.0007529300000000, 0.0003085300000000 ] - [ -0.0017012500000000, 0.0006100700000000, -0.0036489300000000 ] - [ -0.0002231900000000, -0.0000109800000000, -0.0004138000000000 ] - [ 0.0038450900000000, 0.0031648400000000, 0.0080401300000000 ] - [ 0.0001774000000000, -0.0007238000000000, 0.0050571000000000 ] - [ 0.0000597100000000, 0.0017962300000000, 0.0025511200000000 ] - [ 0.0005103400000000, -0.0000273600000000, -0.0001189400000000 ] - [ -0.0009965100000000, -0.0000544900000000, -0.0007002600000000 ] - [ 0.0014773600000000, 0.0013829300000000, 0.0024112000000000 ] - [ -0.0021054300000000, 0.0008422000000000, 0.0007653100000000 ] - [ -0.0600848800000000, -0.0368142700000000, -0.0593026700000000 ] - [ -0.0069782200000000, 0.0080027700000000, -0.0005479900000000 ] - [ 0.0001653100000000, -0.0006007500000000, 0.0032775600000000 ] - [ 0.0000196300000000, -0.0000528300000000, 0.0003362600000000 ] - [ 0.0018768300000000, -0.0000831000000000, -0.0108341600000000 ] - [ 0.0048792500000000, -0.0016670700000000, 0.0018608500000000 ] - [ -0.0013122000000000, 0.0041726100000000, -0.0054122900000000 ] - [ 0.0033247200000000, 0.0029940200000000, 0.0027343800000000 ] - [ 0.0008091900000000, -0.0002969200000000, -0.0008879000000000 ] - [ -0.0064294900000000, -0.0033065700000000, 0.0044195600000000 ] - [ 0.0003420300000000, 0.0004464700000000, 0.0029666000000000 ] - [ 0.0033414800000000, -0.0035275200000000, -0.0008661400000000 ] - [ -0.0007973100000000, -0.0001113800000000, -0.0002910400000000 ] - [ -0.0000377300000000, 0.0000628000000000, -0.0006369500000000 ] - [ -0.0021517400000000, 0.0019290500000000, -0.0015112200000000 ] - [ -0.0056878000000000, 0.0016091400000000, -0.0035031700000000 ] - [ -0.0073846900000000, 0.0066444900000000, 0.0083047500000000 ] - [ -0.0009950300000000, 0.0000043100000000, -0.0001544400000000 ] - [ -0.0000965200000000, 0.0003131000000000, 0.0001675200000000 ] - [ 0.0031941100000000, -0.0038625600000000, 0.0067481200000000 ] - [ -0.0007723000000000, 0.0001804400000000, 0.0060212300000000 ] - [ -0.0001421600000000, -0.0011526300000000, 0.0039865000000000 ] - [ 0.0000146800000000, 0.0025548500000000, 0.0084019000000000 ] - [ 0.0008670300000000, 0.0009162600000000, -0.0012899900000000 ] - [ 0.0058992600000000, 0.0048882600000000, -0.0033679900000000 ] - [ -0.0007260600000000, 0.0001850800000000, -0.0001732200000000 ] - [ -0.0004132600000000, -0.0005387600000000, -0.0001034400000000 ] - [ -0.0003335700000000, -0.0001296500000000, -0.0000610600000000 ] - [ -0.0003905100000000, -0.0000781200000000, 0.0006081100000000 ] - [ -0.0001679300000000, 0.0003876100000000, 0.0002994100000000 ] - [ -0.0010885700000000, -0.0002093900000000, -0.0010427200000000 ] - [ -0.0003433300000000, -0.0000501700000000, 0.0000408000000000 ] - [ -0.0002143800000000, 0.0001124800000000, -0.0001486900000000 ] - [ 0.0006327100000000, 0.0007041500000000, -0.0018313700000000 ] - [ -0.0009239300000000, 0.0002764500000000, 0.0002404200000000 ] - [ 0.0009164800000000, -0.0001875500000000, -0.0012793300000000 ] - [ -0.0008190400000000, -0.0002759300000000, 0.0002857000000000 ] - [ -0.0001428700000000, -0.0003631300000000, 0.0011671200000000 ] - [ 0.0005126000000000, 0.0009506200000000, -0.0000661800000000 ] - [ -0.0001046300000000, 0.0000379900000000, -0.0002653200000000 ] - [ -0.0008602400000000, -0.0002568300000000, 0.0002434000000000 ] - [ -0.0000384600000000, -0.0002625400000000, 0.0000312600000000 ] - [ -0.0001770000000000, -0.0003972000000000, 0.0003098000000000 ] - [ -0.0000841500000000, 0.0004716100000000, -0.0000122700000000 ] - [ -0.0008850100000000, 0.0000133700000000, -0.0003023100000000 ] - [ -0.0007123700000000, 0.0000455800000000, -0.0005368000000000 ] - [ -0.0001145100000000, 0.0001283500000000, -0.0003938700000000 ] - [ -0.0005173600000000, 0.0000457500000000, -0.0002494500000000 ] - [ -0.0001792400000000, 0.0002289700000000, -0.0004042800000000 ] - [ -0.0000531000000000, 0.0002978400000000, -0.0000299900000000 ] - [ -0.0001570000000000, -0.0000407700000000, -0.0001182500000000 ] - [ -0.0003181500000000, 0.0001415000000000, 0.0017593600000000 ] - [ -0.0001914600000000, -0.0006254300000000, 0.0003463900000000 ] - [ 0.0000238000000000, 0.0000105100000000, -0.0002193300000000 ] - [ -0.0003133800000000, -0.0001218000000000, -0.0005242300000000 ] - [ -0.0003518700000000, 0.0000515000000000, 0.0000360100000000 ] - [ -0.0006996500000000, 0.0006963500000000, -0.0000838100000000 ] - [ 0.0000684600000000, 0.0000061700000000, -0.0002548500000000 ] - [ -0.0005227200000000, 0.0002069500000000, 0.0007608000000000 ] - [ -0.0004237700000000, -0.0005259500000000, 0.0002009800000000 ] - [ -0.0003618100000000, -0.0002204100000000, -0.0000465300000000 ] - [ -0.0000207500000000, -0.0002053300000000, -0.0003167700000000 ] - [ -0.0000209900000000, -0.0004236800000000, -0.0000370700000000 ] - [ -0.0004316500000000, -0.0002413100000000, 0.0006733800000000 ] - [ -0.0003825000000000, 0.0004986200000000, 0.0001886800000000 ] - [ 0.0003525100000000, 0.0000773000000000, -0.0000586200000000 ] - [ -0.0000615800000000, 0.0001095800000000, -0.0000888300000000 ] - [ -0.0001343000000000, -0.0002321800000000, -0.0003886300000000 ] - [ -0.0001678200000000, 0.0005719600000000, 0.0004392500000000 ] - [ -0.0002997000000000, 0.0001112400000000, 0.0000040400000000 ] - [ -0.0002124900000000, -0.0001010700000000, -0.0001143300000000 ] - [ -0.0007479700000000, -0.0001557300000000, -0.0002137800000000 ] - [ -0.0003944900000000, 0.0000654600000000, 0.0005585100000000 ]- atom: 27 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0016021100000000, 0.0001630900000000, -0.0000851500000000 ] - [ 0.0006139300000000, -0.0001935700000000, 0.0003134900000000 ] - [ 0.0006208900000000, -0.0000343600000000, -0.0004432000000000 ] - [ 0.0004332800000000, 0.0002019100000000, 0.0003012700000000 ] - [ 0.0011634900000000, 0.0001099200000000, -0.0003311100000000 ] - [ 0.0010584500000000, -0.0002622000000000, 0.0004577600000000 ] - [ 0.0009495800000000, -0.0001053000000000, -0.0002427100000000 ] - [ 0.0000627600000000, 0.0002170600000000, 0.0001933700000000 ] - [ 0.0010219100000000, -0.0000006500000000, 0.0013089500000000 ] - [ 0.0052618900000000, -0.0001295000000000, -0.0029319800000000 ] - [ 0.0036100200000000, 0.0000537900000000, 0.0000944900000000 ] - [ 0.0034901700000000, -0.0000827300000000, 0.0001519600000000 ] - [ 0.0034009000000000, 0.0004057500000000, -0.0003005900000000 ] - [ 0.0038082300000000, -0.0004257300000000, -0.0002061500000000 ] - [ 0.0189913800000000, -0.0016496100000000, 0.0118431200000000 ] - [ -0.0027885200000000, -0.0013463200000000, -0.0035137400000000 ] - [ 0.0025447300000000, 0.0001357600000000, 0.0000316400000000 ] - [ 0.0032525900000000, -0.0010292400000000, 0.0007666300000000 ] - [ 0.0032015200000000, 0.0010244500000000, 0.0007241300000000 ] - [ -0.0169169500000000, 0.0094439500000000, -0.0180079500000000 ] - [ 0.0048988100000000, 0.0004805800000000, -0.0010698400000000 ] - [ 0.0220212300000000, -0.0125508100000000, -0.0034495200000000 ] - [ 0.0059385700000000, 0.0027006400000000, 0.0061312300000000 ] - [ -0.0264901900000000, 0.0115661900000000, 0.0212952700000000 ] - [ 0.0047147200000000, -0.0005914500000000, 0.0003291500000000 ] - [ -0.0016535600000000, 0.0038600000000000, -0.0157088100000000 ] - [ -0.3493247200000000, 0.0013330900000000, 0.0072925300000000 ] - [ -0.0115409500000000, -0.0004122200000000, 0.0025457300000000 ] - [ 0.0011842500000000, -0.0003373900000000, -0.0034088100000000 ] - [ -0.0083020500000000, 0.0019191600000000, 0.0196833900000000 ] - [ 0.0026976100000000, -0.0001079800000000, 0.0002420400000000 ] - [ -0.0045805900000000, -0.0013633900000000, -0.0008783000000000 ] - [ 0.0012024000000000, 0.0001878600000000, 0.0018489000000000 ] - [ 0.0088380500000000, 0.0008214800000000, -0.0085113700000000 ] - [ -0.0019447000000000, 0.0005853700000000, 0.0032651600000000 ] - [ 0.0026567400000000, 0.0012978500000000, 0.0009174900000000 ] - [ 0.0055077400000000, 0.0008158200000000, 0.0008157300000000 ] - [ 0.0030135000000000, -0.0003213300000000, -0.0002524000000000 ] - [ 0.0029626000000000, 0.0006364600000000, 0.0002126100000000 ] - [ 0.0026718900000000, -0.0013015500000000, 0.0008998600000000 ] - [ 0.0042776000000000, -0.0005103800000000, -0.0012231900000000 ] - [ 0.0033544400000000, -0.0001254100000000, -0.0002620700000000 ] - [ 0.0030292400000000, 0.0002537100000000, -0.0006342800000000 ] - [ 0.0030011800000000, -0.0002565800000000, -0.0006135500000000 ] - [ 0.0030072900000000, -0.0007873000000000, 0.0005863100000000 ] - [ 0.0033153000000000, 0.0001362500000000, -0.0003160000000000 ] - [ 0.0034501900000000, 0.0003457200000000, -0.0023736500000000 ] - [ 0.0028937100000000, 0.0002829200000000, -0.0001925400000000 ] - [ -0.0017160900000000, -0.0000867800000000, -0.0003806800000000 ] - [ -0.0015589900000000, -0.0011563000000000, -0.0000694200000000 ] - [ -0.0007823200000000, 0.0002176800000000, 0.0012686800000000 ] - [ 0.0337383400000000, -0.0137846100000000, 0.0077550300000000 ] - [ 0.0098974400000000, -0.0073575900000000, 0.0052826400000000 ] - [ -0.0016244100000000, -0.0000951200000000, -0.0008223800000000 ] - [ 0.1043707100000000, -0.0793876400000000, -0.0724560200000000 ] - [ 0.0015432500000000, -0.0030264500000000, 0.0042162600000000 ] - [ -0.0007380200000000, 0.0002427200000000, 0.0003782600000000 ] - [ 0.0055134200000000, -0.0021001900000000, 0.0028613600000000 ] - [ -0.0013301600000000, -0.0003434900000000, -0.0005420300000000 ] - [ 0.1764171600000000, 0.0813747600000000, 0.0609977700000000 ] - [ -0.0006768600000000, -0.0009353800000000, 0.0003660200000000 ] - [ -0.0006491100000000, 0.0009236300000000, 0.0003822600000000 ] - [ -0.0006338500000000, 0.0001355100000000, 0.0006113700000000 ] - [ -0.0013721300000000, 0.0003559900000000, -0.0005504000000000 ] - [ -0.0051488200000000, 0.0013438800000000, -0.0048203000000000 ] - [ 0.0096664600000000, 0.0051856100000000, -0.0041220700000000 ] - [ 0.0032404700000000, -0.0007287900000000, 0.0026861100000000 ] - [ -0.0025147600000000, -0.0000336300000000, -0.0007114700000000 ] - [ -0.0015201700000000, 0.0000534400000000, -0.0002241300000000 ] - [ -0.0025578500000000, -0.0007311300000000, -0.0022653900000000 ] - [ -0.0016083000000000, 0.0004405900000000, -0.0004257700000000 ] - [ 0.0021949600000000, 0.0016288900000000, 0.0035484100000000 ] - [ 0.0010596100000000, -0.0000354200000000, 0.0014059800000000 ] - [ -0.0013352600000000, 0.0000630900000000, -0.0008456400000000 ] - [ -0.0007433500000000, -0.0002573600000000, 0.0003296000000000 ] - [ 0.0035733500000000, -0.0016713500000000, -0.0056921300000000 ] - [ -0.0053387300000000, 0.0021390000000000, -0.0002440800000000 ] - [ -0.0010836400000000, -0.0003812500000000, -0.0000044800000000 ] - [ 0.0057793800000000, 0.0029437000000000, -0.0029250900000000 ] - [ -0.0021831900000000, 0.0014542000000000, 0.0004516800000000 ] - [ 0.0013000600000000, 0.0004456900000000, -0.0000407300000000 ] - [ 0.0034891500000000, 0.0005525700000000, 0.0049316500000000 ] - [ -0.0038304000000000, -0.0010711300000000, 0.0027608300000000 ] - [ -0.0015632300000000, 0.0001699600000000, -0.0010084900000000 ] - [ -0.0010321200000000, -0.0006089900000000, 0.0001260900000000 ] - [ 0.0060301500000000, 0.0062231100000000, -0.0075573100000000 ] - [ 0.0026303900000000, -0.0031835000000000, -0.0057157400000000 ] - [ 0.0006666600000000, 0.0002539100000000, -0.0008449700000000 ] - [ -0.0022315900000000, 0.0000591600000000, -0.0008284300000000 ] - [ -0.0010861500000000, 0.0005320800000000, -0.0000720300000000 ] - [ 0.0013237300000000, -0.0010991500000000, -0.0018562200000000 ] - [ 0.0115264300000000, -0.0037088900000000, 0.0076826500000000 ] - [ -0.0014521400000000, 0.0006600000000000, -0.0017477300000000 ] - [ 0.0042948200000000, -0.0047467100000000, -0.0088294600000000 ] - [ -0.0024330100000000, -0.0008834900000000, 0.0003277200000000 ] - [ 0.0041316800000000, 0.0023821200000000, -0.0005874900000000 ] - [ -0.0018070700000000, 0.0001070100000000, 0.0000917700000000 ] - [ -0.0016331300000000, -0.0012018900000000, 0.0002541100000000 ] - [ -0.0010216600000000, -0.0001408000000000, -0.0001457300000000 ] - [ -0.0011255100000000, 0.0002268800000000, 0.0006388700000000 ] - [ -0.0016549500000000, 0.0012105200000000, 0.0007701700000000 ] - [ -0.0016929200000000, -0.0008268500000000, -0.0024148600000000 ] - [ -0.0018094500000000, 0.0007627800000000, 0.0005187700000000 ] - [ -0.0009106500000000, 0.0003302900000000, -0.0000334700000000 ] - [ 0.0007940200000000, 0.0004014900000000, -0.0030908300000000 ] - [ -0.0024836900000000, 0.0006981900000000, -0.0001622400000000 ] - [ 0.0005197100000000, -0.0001163400000000, -0.0009863800000000 ] - [ -0.0025098900000000, -0.0006991100000000, -0.0001642200000000 ] - [ -0.0027438100000000, 0.0019445500000000, 0.0009717500000000 ] - [ 0.0005677100000000, 0.0011738200000000, -0.0000870000000000 ] - [ -0.0008174400000000, 0.0000243400000000, -0.0001801200000000 ] - [ -0.0032710300000000, -0.0007103700000000, 0.0004118300000000 ] - [ -0.0010491900000000, -0.0007314000000000, 0.0000202300000000 ] - [ -0.0016397700000000, -0.0012061900000000, 0.0007703500000000 ] - [ -0.0009092800000000, 0.0006651800000000, 0.0001252900000000 ] - [ -0.0044138700000000, 0.0001077800000000, -0.0012930400000000 ] - [ -0.0013164500000000, 0.0001871300000000, -0.0006752600000000 ] - [ -0.0017279600000000, 0.0000406800000000, -0.0008305700000000 ] - [ -0.0018180800000000, 0.0006098300000000, 0.0000348300000000 ] - [ -0.0017189700000000, -0.0002480700000000, -0.0008876500000000 ] - [ -0.0010528300000000, 0.0007772800000000, -0.0000591400000000 ] - [ -0.0009662800000000, -0.0000195600000000, 0.0000401200000000 ] - [ -0.0023588500000000, 0.0004279000000000, 0.0050345200000000 ] - [ -0.0011753900000000, -0.0010214400000000, 0.0005397600000000 ] - [ -0.0012597500000000, 0.0004522500000000, -0.0003110000000000 ] - [ -0.0020828200000000, -0.0000590000000000, -0.0011166300000000 ] - [ -0.0017817600000000, -0.0007441000000000, 0.0005064600000000 ] - [ -0.0022245300000000, 0.0015206600000000, 0.0001155400000000 ] - [ -0.0011566900000000, -0.0004157400000000, -0.0003503700000000 ] - [ -0.0018516700000000, -0.0003698700000000, 0.0004953000000000 ] - [ -0.0014061300000000, -0.0007854800000000, 0.0004543100000000 ] - [ -0.0008805700000000, -0.0003587900000000, 0.0004449500000000 ] - [ -0.0006552200000000, -0.0005097700000000, -0.0003632500000000 ] - [ -0.0009234700000000, -0.0006753300000000, 0.0001372400000000 ] - [ -0.0018588600000000, 0.0003742100000000, 0.0005162900000000 ] - [ -0.0013390400000000, 0.0007459400000000, 0.0004622100000000 ] - [ -0.0012130400000000, 0.0000971600000000, -0.0002190900000000 ] - [ -0.0013493400000000, 0.0004982300000000, 0.0003930400000000 ] - [ -0.0016419100000000, 0.0002437400000000, -0.0008528700000000 ] - [ -0.0011850700000000, 0.0010344200000000, 0.0005277200000000 ] - [ -0.0010272600000000, 0.0001236900000000, -0.0000016100000000 ] - [ -0.0009157800000000, -0.0003230100000000, 0.0000034300000000 ] - [ -0.0022021100000000, -0.0008124300000000, -0.0001609600000000 ] - [ -0.0011239300000000, -0.0002311900000000, 0.0006318800000000 ]- atom: 27 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0016339600000000, 0.0000737000000000, -0.0005129000000000 ] - [ -0.0012987900000000, -0.0003252000000000, 0.0000188400000000 ] - [ -0.0006474000000000, -0.0002031500000000, -0.0001541000000000 ] - [ -0.0011173800000000, 0.0003162600000000, 0.0000308200000000 ] - [ -0.0011908100000000, 0.0001267300000000, -0.0002659200000000 ] - [ -0.0017349400000000, -0.0002565600000000, -0.0001215000000000 ] - [ -0.0009796500000000, -0.0001320600000000, -0.0003552800000000 ] - [ -0.0007512800000000, 0.0003013200000000, 0.0001363500000000 ] - [ -0.0007867000000000, 0.0003076300000000, -0.0020166000000000 ] - [ -0.0050462100000000, -0.0001764500000000, 0.0022493600000000 ] - [ -0.0037915100000000, 0.0004555600000000, 0.0001046800000000 ] - [ -0.0036716300000000, -0.0004261400000000, 0.0000465300000000 ] - [ -0.0031798700000000, -0.0001017200000000, -0.0003987500000000 ] - [ -0.0035859800000000, 0.0001216300000000, -0.0004914100000000 ] - [ -0.0190264300000000, 0.0021680300000000, -0.0114677100000000 ] - [ 0.0025739200000000, 0.0008418500000000, 0.0036807600000000 ] - [ -0.0025646000000000, -0.0002359600000000, -0.0001256200000000 ] - [ -0.0019904700000000, -0.0005879000000000, 0.0000624100000000 ] - [ -0.0019391600000000, 0.0005928200000000, 0.0001049900000000 ] - [ 0.0161352500000000, -0.0081815400000000, 0.0196228000000000 ] - [ -0.0040635800000000, -0.0005299800000000, 0.0007427200000000 ] - [ -0.0218581800000000, 0.0127677800000000, 0.0031104500000000 ] - [ -0.0055565700000000, -0.0028780900000000, -0.0063657900000000 ] - [ 0.0256978300000000, -0.0128178100000000, -0.0197175400000000 ] - [ -0.0038800600000000, 0.0006415900000000, -0.0006635800000000 ] - [ 0.0023885300000000, -0.0042104500000000, 0.0160997900000000 ] - [ 0.3431983300000000, -0.0084767800000000, -0.0159893800000000 ] - [ 0.0116073200000000, -0.0002523800000000, -0.0025978900000000 ] - [ -0.0007707000000000, 0.0004957600000000, 0.0032198400000000 ] - [ 0.0090504800000000, -0.0015807300000000, -0.0193624200000000 ] - [ -0.0027184300000000, 0.0002085400000000, -0.0003370200000000 ] - [ 0.0047085600000000, 0.0011909700000000, 0.0004051100000000 ] - [ -0.0012390900000000, -0.0002876500000000, -0.0019313900000000 ] - [ -0.0076043900000000, -0.0024349400000000, 0.0092488500000000 ] - [ 0.0031613400000000, 0.0010271300000000, -0.0024323300000000 ] - [ -0.0032263100000000, -0.0001453600000000, 0.0007462300000000 ] - [ -0.0046718100000000, -0.0008645000000000, -0.0011372900000000 ] - [ -0.0029015600000000, 0.0004912900000000, -0.0002133100000000 ] - [ -0.0025607800000000, -0.0007965100000000, -0.0004144400000000 ] - [ -0.0032415500000000, 0.0001491500000000, 0.0007641300000000 ] - [ -0.0034456800000000, 0.0005606400000000, 0.0008823800000000 ] - [ -0.0026593800000000, -0.0003075400000000, 0.0006403600000000 ] - [ -0.0029571000000000, 0.0004333200000000, 0.0005903900000000 ] - [ -0.0029292800000000, -0.0004305900000000, 0.0005702500000000 ] - [ -0.0026063800000000, 0.0009458400000000, -0.0007861400000000 ] - [ -0.0026201500000000, 0.0002968100000000, 0.0006935800000000 ] - [ -0.0034573500000000, -0.0002443200000000, 0.0022540700000000 ] - [ -0.0027821800000000, -0.0004532400000000, -0.0002734000000000 ] - [ 0.0006707800000000, 0.0003560500000000, -0.0003129500000000 ] - [ 0.0009856800000000, 0.0002160400000000, -0.0002499200000000 ] - [ 0.0004490500000000, -0.0004545600000000, -0.0013146400000000 ] - [ -0.0338768100000000, 0.0130636800000000, -0.0058391800000000 ] - [ -0.0096017500000000, 0.0077900300000000, -0.0049011700000000 ] - [ 0.0007813700000000, 0.0001496200000000, -0.0001533100000000 ] - [ -0.1068913400000000, 0.0824656100000000, 0.0760824800000000 ] - [ -0.0016733400000000, 0.0031177900000000, -0.0044988600000000 ] - [ 0.0012161500000000, -0.0001951300000000, -0.0000378700000000 ] - [ -0.0065536700000000, 0.0024682500000000, -0.0021508200000000 ] - [ 0.0012344900000000, 0.0004583800000000, -0.0004330700000000 ] - [ -0.1692941500000000, -0.0768710500000000, -0.0559778800000000 ] - [ 0.0013414900000000, -0.0003696400000000, 0.0004439400000000 ] - [ 0.0013137200000000, 0.0003814600000000, 0.0004277600000000 ] - [ 0.0006953300000000, -0.0000494700000000, -0.0010464400000000 ] - [ 0.0012767400000000, -0.0004710800000000, -0.0004247800000000 ] - [ 0.0055121500000000, -0.0017767900000000, 0.0048239500000000 ] - [ -0.0093707800000000, -0.0056146900000000, 0.0045399100000000 ] - [ -0.0029162700000000, 0.0014824000000000, -0.0028347400000000 ] - [ 0.0027265000000000, -0.0000142900000000, 0.0005867900000000 ] - [ 0.0004736700000000, -0.0003225300000000, -0.0004704300000000 ] - [ 0.0028381500000000, 0.0010217900000000, 0.0015643500000000 ] - [ 0.0009273300000000, -0.0004679900000000, -0.0001215100000000 ] - [ -0.0018902200000000, -0.0009837000000000, -0.0041728500000000 ] - [ -0.0007368800000000, 0.0004027100000000, -0.0013898600000000 ] - [ 0.0014023000000000, -0.0001475800000000, 0.0004145900000000 ] - [ 0.0012215600000000, 0.0002100900000000, 0.0000111300000000 ] - [ -0.0034652200000000, 0.0007104900000000, 0.0064891700000000 ] - [ 0.0059453700000000, -0.0023147300000000, -0.0002118200000000 ] - [ 0.0013563100000000, 0.0000964200000000, -0.0007063000000000 ] - [ -0.0058728000000000, -0.0025098800000000, 0.0028044500000000 ] - [ 0.0016124900000000, -0.0005156700000000, -0.0007744000000000 ] - [ -0.0006859300000000, -0.0002705600000000, -0.0003938800000000 ] - [ -0.0037989800000000, 0.0001630900000000, -0.0033609600000000 ] - [ 0.0034253400000000, 0.0001455600000000, -0.0024936900000000 ] - [ 0.0007201000000000, -0.0002247100000000, 0.0000337300000000 ] - [ 0.0014164400000000, 0.0005210200000000, -0.0006502700000000 ] - [ -0.0056765200000000, -0.0069134400000000, 0.0073851900000000 ] - [ -0.0029329800000000, 0.0024436700000000, 0.0072641000000000 ] - [ -0.0010733200000000, 0.0006678000000000, 0.0011330000000000 ] - [ 0.0024432700000000, -0.0000110200000000, 0.0007043500000000 ] - [ 0.0014710000000000, -0.0004438300000000, -0.0004520100000000 ] - [ -0.0010271900000000, 0.0004533100000000, 0.0012427400000000 ] - [ -0.0112969900000000, 0.0046077200000000, -0.0070711400000000 ] - [ 0.0011230500000000, -0.0004266400000000, 0.0017153300000000 ] - [ -0.0045317200000000, 0.0045550700000000, 0.0084711300000000 ] - [ 0.0017552100000000, 0.0009130900000000, -0.0008789300000000 ] - [ -0.0046056600000000, -0.0021213000000000, 0.0017228600000000 ] - [ 0.0007572800000000, 0.0001648400000000, -0.0007811400000000 ] - [ 0.0010624900000000, 0.0002633500000000, -0.0005740300000000 ] - [ 0.0006910300000000, -0.0000933100000000, 0.0001043600000000 ] - [ 0.0006494200000000, -0.0004970500000000, 0.0005047100000000 ] - [ 0.0019342800000000, -0.0007715800000000, -0.0003584300000000 ] - [ 0.0008511900000000, 0.0008776500000000, 0.0014271500000000 ] - [ 0.0017243600000000, -0.0012031400000000, -0.0006414000000000 ] - [ 0.0007792700000000, -0.0002097400000000, -0.0002788500000000 ] - [ -0.0003049600000000, -0.0003562300000000, 0.0034085400000000 ] - [ 0.0014239800000000, -0.0003246800000000, 0.0008664400000000 ] - [ -0.0005975200000000, 0.0002393800000000, 0.0000191000000000 ] - [ 0.0014507200000000, 0.0003260600000000, 0.0008686700000000 ] - [ 0.0033758800000000, -0.0031991300000000, -0.0001494500000000 ] - [ 0.0001117300000000, 0.0001265300000000, 0.0008957500000000 ] - [ 0.0008822000000000, 0.0000621400000000, -0.0002544700000000 ] - [ 0.0031598300000000, 0.0005749200000000, -0.0013750300000000 ] - [ 0.0013823700000000, 0.0003702800000000, -0.0000120500000000 ] - [ 0.0019191300000000, 0.0007672500000000, -0.0003582600000000 ] - [ 0.0011684400000000, 0.0001376100000000, -0.0002395500000000 ] - [ 0.0046196600000000, -0.0001573600000000, 0.0011592500000000 ] - [ 0.0002740000000000, -0.0004560600000000, -0.0000218400000000 ] - [ 0.0020067500000000, 0.0002458000000000, 0.0001246100000000 ] - [ 0.0011394300000000, -0.0006385800000000, -0.0005821200000000 ] - [ 0.0020475600000000, 0.0009100200000000, 0.0002938900000000 ] - [ 0.0013860000000000, -0.0004157000000000, 0.0000673000000000 ] - [ 0.0010294700000000, -0.0000664800000000, -0.0004736000000000 ] - [ 0.0028451300000000, -0.0004718500000000, -0.0046685700000000 ] - [ 0.0012386900000000, 0.0000064300000000, 0.0001862700000000 ] - [ 0.0018818700000000, -0.0006296800000000, -0.0001221000000000 ] - [ 0.0023596500000000, -0.0002278500000000, 0.0004086700000000 ] - [ 0.0016973600000000, 0.0011845800000000, -0.0006297500000000 ] - [ 0.0016520300000000, -0.0005816900000000, -0.0004380600000000 ] - [ 0.0017795800000000, 0.0005934600000000, -0.0000828100000000 ] - [ 0.0014831400000000, 0.0010676100000000, 0.0010324700000000 ] - [ 0.0010084300000000, -0.0001328700000000, -0.0001749700000000 ] - [ 0.0000416600000000, 0.0002993400000000, -0.0014067800000000 ] - [ 0.0010445400000000, 0.0004228300000000, -0.0001638800000000 ] - [ 0.0011824800000000, -0.0001273300000000, -0.0002518000000000 ] - [ 0.0014903800000000, -0.0010720500000000, 0.0010109800000000 ] - [ 0.0009411500000000, 0.0001723400000000, -0.0001829700000000 ] - [ 0.0014347000000000, -0.0000491300000000, 0.0001010500000000 ] - [ 0.0017294800000000, -0.0004094300000000, -0.0009134700000000 ] - [ 0.0019709400000000, -0.0009057600000000, 0.0002598700000000 ] - [ 0.0012483800000000, -0.0000195200000000, 0.0001982100000000 ] - [ 0.0006950800000000, 0.0001110900000000, -0.0000390300000000 ] - [ 0.0007843900000000, 0.0002026000000000, -0.0003153100000000 ] - [ 0.0015222400000000, 0.0008411800000000, -0.0003902700000000 ] - [ 0.0006479200000000, 0.0005012300000000, 0.0005114100000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001620900000000, 0.0001206100000000, -0.0003906300000000 ] - [ -0.0003938100000000, -0.0002652000000000, 0.0001435700000000 ] - [ 0.0000352700000000, -0.0001434500000000, -0.0002153600000000 ] - [ -0.0003464200000000, 0.0002590800000000, 0.0001830300000000 ] - [ -0.0000831300000000, 0.0001271000000000, -0.0003794600000000 ] - [ -0.0004530100000000, -0.0003052500000000, -0.0000059000000000 ] - [ -0.0000354400000000, -0.0001188400000000, -0.0002461700000000 ] - [ -0.0003804400000000, 0.0002489600000000, 0.0002644900000000 ] - [ 0.0012478100000000, 0.0004818700000000, -0.0003319800000000 ] - [ -0.0005162800000000, -0.0005752500000000, 0.0001466200000000 ] - [ -0.0002346100000000, 0.0002645300000000, 0.0000962200000000 ] - [ -0.0001606100000000, -0.0002531500000000, 0.0000991200000000 ] - [ -0.0001059100000000, 0.0001457400000000, -0.0003114400000000 ] - [ 0.0001293200000000, -0.0001578600000000, -0.0003879600000000 ] - [ 0.0041653200000000, -0.0016056300000000, 0.0011698300000000 ] - [ -0.0007077500000000, -0.0000999600000000, 0.0013427100000000 ] - [ -0.0000925400000000, -0.0000641800000000, -0.0000123800000000 ] - [ 0.0005511400000000, -0.0008027500000000, 0.0003869500000000 ] - [ 0.0005567100000000, 0.0008003400000000, 0.0004229600000000 ] - [ 0.0114228000000000, -0.0251391300000000, 0.0095614000000000 ] - [ 0.0001445800000000, -0.0000086100000000, -0.0000149100000000 ] - [ -0.0115310800000000, 0.0173390800000000, -0.0029642800000000 ] - [ -0.0003599300000000, -0.0016995300000000, -0.0020225600000000 ] - [ 0.0046436000000000, 0.0134581300000000, 0.0045290800000000 ] - [ 0.0004196900000000, 0.0000236300000000, -0.0003178800000000 ] - [ 0.0052136000000000, -0.0109563700000000, 0.0026552400000000 ] - [ 0.0055885200000000, -0.2968846800000000, 0.0062613400000000 ] - [ 0.0001163200000000, 0.0003407700000000, 0.0016956500000000 ] - [ 0.0002087900000000, 0.0002680200000000, 0.0012008200000000 ] - [ -0.0012403600000000, 0.0123769200000000, 0.0039512800000000 ] - [ -0.0000858600000000, 0.0000500700000000, -0.0000962400000000 ] - [ 0.0004369200000000, -0.0012534200000000, 0.0008552400000000 ] - [ -0.0000484800000000, 0.0000294700000000, 0.0003167200000000 ] - [ -0.0018181000000000, 0.0106752300000000, -0.0050449900000000 ] - [ 0.0007019500000000, 0.0006385400000000, 0.0016084000000000 ] - [ -0.0003698500000000, 0.0005559800000000, 0.0008250000000000 ] - [ 0.0008260300000000, 0.0001525900000000, 0.0001461900000000 ] - [ -0.0000100300000000, 0.0000931000000000, -0.0002693100000000 ] - [ 0.0000463300000000, -0.0001323500000000, -0.0001981500000000 ] - [ -0.0003743200000000, -0.0005537400000000, 0.0008327700000000 ] - [ -0.0000013000000000, 0.0000621000000000, -0.0000123600000000 ] - [ 0.0002716800000000, -0.0002155100000000, 0.0002142800000000 ] - [ -0.0000540900000000, 0.0003431200000000, -0.0000142000000000 ] - [ -0.0000514900000000, -0.0003481700000000, 0.0000075800000000 ] - [ 0.0001742700000000, 0.0000723500000000, -0.0000270500000000 ] - [ 0.0002405100000000, 0.0002214400000000, 0.0001931800000000 ] - [ -0.0006005800000000, 0.0000245800000000, -0.0002544200000000 ] - [ -0.0000546200000000, -0.0001016800000000, -0.0001996500000000 ] - [ -0.0004778400000000, 0.0001411400000000, -0.0003143800000000 ] - [ -0.0003534400000000, -0.0005185300000000, -0.0001174200000000 ] - [ -0.0001128700000000, -0.0001217700000000, -0.0004349900000000 ] - [ -0.0094197000000000, 0.1160530000000000, -0.1012560400000000 ] - [ -0.0045942600000000, 0.0045791400000000, 0.0057042200000000 ] - [ -0.0003684300000000, 0.0000253700000000, -0.0004920000000000 ] - [ -0.0689487000000000, 0.1001766500000000, 0.0686650400000000 ] - [ -0.0013114800000000, 0.0018866500000000, 0.0006048900000000 ] - [ 0.0002751300000000, 0.0000172800000000, 0.0001526500000000 ] - [ -0.0007994700000000, 0.0001473600000000, -0.0001400800000000 ] - [ -0.0000127700000000, 0.0000654900000000, -0.0004985900000000 ] - [ 0.0682724200000000, 0.0674144300000000, 0.0307066000000000 ] - [ 0.0003671700000000, -0.0006397300000000, 0.0004167300000000 ] - [ 0.0003557500000000, 0.0006532000000000, 0.0003915900000000 ] - [ 0.0001028000000000, -0.0000086600000000, -0.0006014100000000 ] - [ -0.0000053800000000, -0.0000704600000000, -0.0004763800000000 ] - [ 0.0030437000000000, -0.0030664100000000, 0.0030718200000000 ] - [ -0.0000685200000000, 0.0000174800000000, -0.0018040800000000 ] - [ -0.0028131900000000, 0.0043937200000000, -0.0036436900000000 ] - [ 0.0002523800000000, -0.0000277700000000, -0.0000310300000000 ] - [ -0.0005014900000000, -0.0001350500000000, -0.0003809800000000 ] - [ 0.0002487600000000, 0.0003758100000000, 0.0000071400000000 ] - [ -0.0004317800000000, 0.0000555900000000, -0.0002164200000000 ] - [ -0.0014133600000000, 0.0003516700000000, -0.0012266300000000 ] - [ 0.0000550100000000, 0.0005802700000000, -0.0007921000000000 ] - [ 0.0001726500000000, -0.0000005900000000, 0.0001881300000000 ] - [ 0.0002611700000000, -0.0000171300000000, 0.0001804400000000 ] - [ -0.0009441700000000, -0.0018955700000000, -0.0002844200000000 ] - [ 0.0018476500000000, -0.0013958700000000, 0.0004362900000000 ] - [ 0.0000969400000000, -0.0001378200000000, -0.0005639500000000 ] - [ 0.0002223200000000, 0.0000358400000000, -0.0006378300000000 ] - [ -0.0001034000000000, 0.0004130400000000, -0.0002128600000000 ] - [ -0.0000375200000000, 0.0001596200000000, -0.0005877800000000 ] - [ 0.0001705400000000, 0.0032912700000000, 0.0007028300000000 ] - [ 0.0021562300000000, -0.0021223500000000, -0.0006962900000000 ] - [ -0.0004035600000000, -0.0000434000000000, -0.0004498600000000 ] - [ 0.0002458500000000, -0.0000118500000000, -0.0003045600000000 ] - [ 0.0006584000000000, -0.0030263900000000, 0.0039676100000000 ] - [ -0.0006015900000000, -0.0023513000000000, 0.0000189800000000 ] - [ -0.0005617200000000, 0.0004805900000000, 0.0000934000000000 ] - [ 0.0001022400000000, 0.0000241300000000, -0.0000537100000000 ] - [ 0.0002217600000000, 0.0000475200000000, -0.0002321400000000 ] - [ -0.0014661100000000, -0.0007011800000000, -0.0021833000000000 ] - [ 0.0028880500000000, 0.0077826900000000, -0.0146447200000000 ] - [ -0.0000065200000000, 0.0000230700000000, 0.0005581000000000 ] - [ -0.0030811300000000, -0.0083795000000000, -0.0070278800000000 ] - [ -0.0001746000000000, 0.0000791700000000, -0.0003368800000000 ] - [ -0.0003391600000000, -0.0003337700000000, -0.0006908200000000 ] - [ -0.0003219500000000, 0.0001534300000000, -0.0003147700000000 ] - [ -0.0001592400000000, -0.0003956400000000, -0.0002263500000000 ] - [ -0.0001667200000000, -0.0001274400000000, -0.0000451400000000 ] - [ -0.0002104800000000, -0.0001494500000000, 0.0005770800000000 ] - [ 0.0001875600000000, 0.0001916900000000, 0.0001903700000000 ] - [ -0.0005817000000000, -0.0003150700000000, -0.0007268400000000 ] - [ 0.0000076100000000, -0.0002476300000000, -0.0000750300000000 ] - [ -0.0000413900000000, 0.0000553500000000, -0.0001717600000000 ] - [ 0.0006233900000000, 0.0003169400000000, -0.0006037300000000 ] - [ -0.0004775600000000, 0.0001720500000000, 0.0003629000000000 ] - [ -0.0001626400000000, -0.0000660200000000, -0.0008130200000000 ] - [ -0.0004672600000000, -0.0001712300000000, 0.0003708000000000 ] - [ 0.0007887700000000, -0.0000838200000000, 0.0015578900000000 ] - [ 0.0005478900000000, 0.0007744200000000, -0.0001324700000000 ] - [ 0.0000755200000000, 0.0000406400000000, -0.0002930500000000 ] - [ 0.0002997500000000, -0.0017576800000000, 0.0005669400000000 ] - [ 0.0002148400000000, -0.0001448200000000, 0.0000323500000000 ] - [ 0.0001967800000000, -0.0001886600000000, 0.0001883500000000 ] - [ 0.0001575400000000, 0.0003970800000000, -0.0000616600000000 ] - [ -0.0010284400000000, 0.0001807400000000, 0.0001893700000000 ] - [ -0.0005364200000000, -0.0001003300000000, -0.0004144900000000 ] - [ 0.0002880100000000, 0.0001608200000000, -0.0002975100000000 ] - [ -0.0002073200000000, -0.0000768700000000, -0.0003540100000000 ] - [ 0.0001963300000000, 0.0003478900000000, -0.0002829400000000 ] - [ 0.0001940500000000, 0.0001829600000000, -0.0000267200000000 ] - [ 0.0000558000000000, -0.0000467500000000, -0.0001453500000000 ] - [ 0.0007883700000000, -0.0007850100000000, 0.0009620800000000 ] - [ 0.0000670500000000, -0.0004932200000000, 0.0003537200000000 ] - [ 0.0003416200000000, -0.0000982500000000, -0.0001894700000000 ] - [ 0.0001080200000000, -0.0001425600000000, -0.0003849400000000 ] - [ 0.0000138000000000, 0.0002522100000000, -0.0000831000000000 ] - [ -0.0004532100000000, 0.0005650200000000, -0.0001540000000000 ] - [ 0.0003742400000000, 0.0001112000000000, -0.0002316800000000 ] - [ -0.0001401700000000, 0.0003681200000000, 0.0007750300000000 ] - [ -0.0001870400000000, -0.0004650600000000, 0.0001434700000000 ] - [ -0.0002530400000000, -0.0000562400000000, -0.0005452000000000 ] - [ 0.0001850800000000, -0.0000720200000000, -0.0003433200000000 ] - [ 0.0001621200000000, -0.0003928400000000, -0.0000618100000000 ] - [ -0.0001297300000000, -0.0003716600000000, 0.0007674700000000 ] - [ -0.0001422100000000, 0.0004362800000000, 0.0001166300000000 ] - [ 0.0003098900000000, 0.0000274000000000, -0.0001138900000000 ] - [ 0.0003920700000000, -0.0000073600000000, -0.0002713700000000 ] - [ 0.0002433600000000, -0.0003504100000000, -0.0002764200000000 ] - [ 0.0000690000000000, 0.0004883800000000, 0.0003645100000000 ] - [ -0.0001060100000000, 0.0001043700000000, -0.0000013300000000 ] - [ -0.0000390800000000, -0.0000507200000000, -0.0001519900000000 ] - [ -0.0003980400000000, -0.0000692500000000, -0.0002162600000000 ] - [ -0.0002125800000000, 0.0001443100000000, 0.0005650500000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001325100000000, 0.0001165300000000, -0.0002053900000000 ] - [ -0.0002908900000000, -0.0002538800000000, 0.0001885400000000 ] - [ -0.0000657800000000, -0.0000937300000000, -0.0003832700000000 ] - [ -0.0003386100000000, 0.0002593900000000, 0.0001482100000000 ] - [ 0.0000530800000000, 0.0001095800000000, -0.0002172900000000 ] - [ -0.0002318900000000, -0.0002135500000000, 0.0003387400000000 ] - [ 0.0000052600000000, -0.0001185900000000, -0.0003520100000000 ] - [ -0.0003040700000000, 0.0002695200000000, 0.0000663200000000 ] - [ -0.0010395800000000, -0.0001795700000000, -0.0003691100000000 ] - [ 0.0007401100000000, 0.0002733400000000, -0.0008484300000000 ] - [ 0.0000510600000000, 0.0002445100000000, 0.0001022200000000 ] - [ -0.0000242200000000, -0.0002557600000000, 0.0000988200000000 ] - [ 0.0003241500000000, 0.0001583200000000, -0.0003869700000000 ] - [ 0.0000864000000000, -0.0001462200000000, -0.0003098500000000 ] - [ -0.0044232800000000, 0.0021753600000000, -0.0010048200000000 ] - [ 0.0005299900000000, -0.0004088100000000, -0.0011545800000000 ] - [ 0.0000722500000000, -0.0000361200000000, -0.0000832300000000 ] - [ 0.0007093600000000, -0.0008144800000000, 0.0004422300000000 ] - [ 0.0007038300000000, 0.0008168400000000, 0.0004056000000000 ] - [ -0.0121429000000000, 0.0265109500000000, -0.0079269800000000 ] - [ 0.0006885400000000, -0.0000420300000000, -0.0003185200000000 ] - [ 0.0116701400000000, -0.0172656900000000, 0.0026252900000000 ] - [ 0.0007523700000000, 0.0015414200000000, 0.0018286700000000 ] - [ -0.0051911900000000, -0.0147417500000000, -0.0028004700000000 ] - [ 0.0004082800000000, 0.0000275100000000, -0.0000139300000000 ] - [ -0.0045746600000000, 0.0106442600000000, -0.0023153200000000 ] - [ -0.0042901800000000, 0.2930769300000000, -0.0054120400000000 ] - [ -0.0000462300000000, -0.0010295500000000, -0.0017422200000000 ] - [ 0.0001904000000000, -0.0001084800000000, -0.0014159500000000 ] - [ 0.0019626400000000, -0.0121463500000000, -0.0037592000000000 ] - [ 0.0000652600000000, 0.0000509500000000, 0.0000015800000000 ] - [ -0.0003300000000000, 0.0010920200000000, -0.0013284100000000 ] - [ 0.0000293700000000, -0.0001313800000000, -0.0004159600000000 ] - [ 0.0031631800000000, -0.0123550500000000, 0.0059164000000000 ] - [ 0.0005587000000000, 0.0009850200000000, -0.0007854500000000 ] - [ -0.0002015000000000, 0.0005963300000000, 0.0008384100000000 ] - [ -0.0000013300000000, -0.0002050600000000, -0.0004833300000000 ] - [ 0.0001172300000000, 0.0000780200000000, -0.0001961300000000 ] - [ 0.0003521300000000, -0.0000285000000000, -0.0000028800000000 ] - [ -0.0001969700000000, -0.0005986200000000, 0.0008304500000000 ] - [ 0.0008350100000000, -0.0000119600000000, -0.0003205800000000 ] - [ 0.0004187900000000, -0.0002174000000000, 0.0001638600000000 ] - [ 0.0001235400000000, 0.0003437000000000, -0.0000285000000000 ] - [ 0.0001207600000000, -0.0003388700000000, -0.0000498600000000 ] - [ 0.0002228000000000, 0.0000885500000000, -0.0001759600000000 ] - [ 0.0004503500000000, 0.0002112500000000, 0.0001850700000000 ] - [ 0.0005833300000000, 0.0000781600000000, 0.0001640400000000 ] - [ 0.0001626100000000, -0.0000693800000000, -0.0002665400000000 ] - [ -0.0005682700000000, 0.0001263200000000, -0.0003798200000000 ] - [ -0.0002158700000000, -0.0004191900000000, -0.0002043100000000 ] - [ -0.0002188000000000, -0.0001144000000000, 0.0003989000000000 ] - [ 0.0087219400000000, -0.1140156900000000, 0.0977883500000000 ] - [ 0.0049164300000000, -0.0042321700000000, -0.0053263200000000 ] - [ -0.0004729700000000, 0.0000302500000000, -0.0004815900000000 ] - [ 0.0658349200000000, -0.0986957800000000, -0.0660078700000000 ] - [ 0.0011949100000000, -0.0017977600000000, -0.0009085800000000 ] - [ 0.0002033100000000, 0.0000305300000000, 0.0001892700000000 ] - [ -0.0002606000000000, 0.0002269900000000, 0.0008467200000000 ] - [ -0.0000821400000000, 0.0000481700000000, -0.0004774600000000 ] - [ -0.0673445400000000, -0.0672572000000000, -0.0291210000000000 ] - [ 0.0002979400000000, -0.0006665800000000, 0.0003923500000000 ] - [ 0.0003096100000000, 0.0006528200000000, 0.0004179500000000 ] - [ -0.0000384400000000, 0.0000952900000000, 0.0001706700000000 ] - [ -0.0000895400000000, -0.0000433500000000, -0.0005000400000000 ] - [ -0.0026981600000000, 0.0027172300000000, -0.0030938900000000 ] - [ 0.0003437300000000, -0.0004566900000000, 0.0022360800000000 ] - [ 0.0031265100000000, -0.0036484600000000, 0.0035231800000000 ] - [ -0.0000355600000000, -0.0000192200000000, -0.0000908200000000 ] - [ -0.0005446500000000, -0.0001325300000000, -0.0003127800000000 ] - [ 0.0000336800000000, -0.0000884500000000, -0.0007132800000000 ] - [ -0.0002441500000000, -0.0000852700000000, -0.0003331800000000 ] - [ 0.0017523200000000, 0.0003084200000000, 0.0006408300000000 ] - [ 0.0002795900000000, -0.0002200400000000, 0.0008049600000000 ] - [ -0.0001059100000000, -0.0000836400000000, -0.0006290800000000 ] - [ 0.0002174300000000, -0.0000305100000000, 0.0001613600000000 ] - [ 0.0010157400000000, 0.0008989000000000, 0.0010213500000000 ] - [ -0.0012611800000000, 0.0012323700000000, -0.0008862600000000 ] - [ 0.0001830500000000, -0.0001491900000000, -0.0001398400000000 ] - [ -0.0003077500000000, 0.0004059800000000, 0.0005157800000000 ] - [ -0.0004685200000000, 0.0005253600000000, -0.0001089300000000 ] - [ 0.0006638700000000, 0.0000169300000000, 0.0001580400000000 ] - [ -0.0005261500000000, -0.0026023100000000, 0.0008269000000000 ] - [ -0.0025856400000000, 0.0012179400000000, 0.0009837800000000 ] - [ -0.0004372600000000, -0.0000120300000000, -0.0005239100000000 ] - [ 0.0001397700000000, -0.0000769000000000, -0.0002185100000000 ] - [ -0.0004019600000000, 0.0022358400000000, -0.0041307400000000 ] - [ 0.0002323800000000, 0.0016748100000000, 0.0015472000000000 ] - [ 0.0001667100000000, 0.0004375300000000, 0.0001865900000000 ] - [ 0.0001172600000000, 0.0000231100000000, -0.0000676400000000 ] - [ 0.0001643200000000, 0.0000407900000000, -0.0002924500000000 ] - [ 0.0017885200000000, 0.0000717500000000, 0.0016042700000000 ] - [ -0.0028107800000000, -0.0069622900000000, 0.0154361300000000 ] - [ -0.0003244000000000, 0.0002131600000000, -0.0006007200000000 ] - [ 0.0029994800000000, 0.0083229500000000, 0.0068468700000000 ] - [ -0.0005045800000000, -0.0000506700000000, -0.0002122300000000 ] - [ -0.0001341600000000, 0.0006081800000000, 0.0018348900000000 ] - [ -0.0007251400000000, 0.0001132100000000, -0.0003802600000000 ] - [ -0.0004120100000000, -0.0005431700000000, -0.0000949700000000 ] - [ -0.0001639300000000, -0.0001077800000000, 0.0000052800000000 ] - [ -0.0002648500000000, -0.0001221700000000, 0.0005677700000000 ] - [ 0.0000922600000000, 0.0002470700000000, 0.0002211800000000 ] - [ -0.0002578400000000, 0.0003743100000000, -0.0002430100000000 ] - [ -0.0000902100000000, -0.0001947100000000, -0.0000486400000000 ] - [ -0.0000892100000000, 0.0000658600000000, -0.0001419000000000 ] - [ -0.0001515400000000, -0.0002733300000000, 0.0009515400000000 ] - [ -0.0005816000000000, 0.0002014600000000, 0.0003414000000000 ] - [ 0.0000677600000000, 0.0001799700000000, -0.0001607500000000 ] - [ -0.0005914300000000, -0.0002018600000000, 0.0003336600000000 ] - [ -0.0001270700000000, -0.0012348500000000, -0.0007553300000000 ] - [ 0.0001169800000000, 0.0005292300000000, 0.0009441400000000 ] - [ -0.0000099600000000, 0.0000456800000000, -0.0001418300000000 ] - [ -0.0003770000000000, 0.0016648000000000, -0.0015713400000000 ] - [ 0.0001202200000000, -0.0002171600000000, -0.0000268700000000 ] - [ 0.0000830100000000, -0.0002501800000000, 0.0002234600000000 ] - [ 0.0001018900000000, 0.0004068900000000, -0.0000518100000000 ] - [ 0.0012608600000000, -0.0002288600000000, -0.0003131100000000 ] - [ -0.0005096500000000, -0.0001676200000000, -0.0002788600000000 ] - [ -0.0000080100000000, 0.0001263300000000, -0.0004088100000000 ] - [ -0.0004711200000000, 0.0000485300000000, -0.0001949200000000 ] - [ 0.0001354400000000, 0.0003154900000000, -0.0003094800000000 ] - [ 0.0001409900000000, 0.0001788700000000, 0.0000330600000000 ] - [ 0.0000099100000000, -0.0000393000000000, -0.0002904700000000 ] - [ -0.0003087900000000, 0.0007390800000000, -0.0006332200000000 ] - [ -0.0000023400000000, -0.0005203900000000, 0.0003732900000000 ] - [ 0.0002830200000000, -0.0000800100000000, -0.0002432000000000 ] - [ 0.0001734800000000, -0.0001446300000000, -0.0003203900000000 ] - [ -0.0000959000000000, 0.0001900100000000, -0.0000411200000000 ] - [ -0.0001146100000000, 0.0003716600000000, -0.0001677600000000 ] - [ 0.0002501100000000, 0.0000669700000000, -0.0002007800000000 ] - [ -0.0002274800000000, 0.0003299800000000, 0.0007523400000000 ] - [ -0.0002085800000000, -0.0004525100000000, 0.0001358400000000 ] - [ -0.0005894700000000, 0.0000013000000000, -0.0004283400000000 ] - [ 0.0002007400000000, -0.0000163000000000, -0.0001793000000000 ] - [ 0.0000970300000000, -0.0004111700000000, -0.0000519500000000 ] - [ -0.0002379900000000, -0.0003265600000000, 0.0007595400000000 ] - [ -0.0002542100000000, 0.0004815300000000, 0.0001624000000000 ] - [ -0.0000935200000000, 0.0000200100000000, -0.0000075600000000 ] - [ -0.0000075600000000, 0.0000958000000000, -0.0002531400000000 ] - [ 0.0000881800000000, -0.0003131000000000, -0.0003156200000000 ] - [ -0.0000043800000000, 0.0005252000000000, 0.0003621700000000 ] - [ -0.0002259200000000, 0.0001314900000000, -0.0000393300000000 ] - [ -0.0000914700000000, -0.0000705400000000, -0.0001616600000000 ] - [ -0.0002780500000000, 0.0000991900000000, -0.0003336300000000 ] - [ -0.0002626600000000, 0.0001272800000000, 0.0005798700000000 ]- atom: 27 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0004651700000000, -0.0000424500000000, -0.0008882000000000 ] - [ -0.0005923500000000, -0.0002818400000000, -0.0000315900000000 ] - [ -0.0001984500000000, -0.0001870900000000, 0.0001266800000000 ] - [ -0.0004710900000000, 0.0002585800000000, 0.0002963900000000 ] - [ -0.0004250900000000, 0.0001378100000000, -0.0005813000000000 ] - [ -0.0006482500000000, -0.0003486800000000, -0.0005355600000000 ] - [ -0.0000804100000000, -0.0001110500000000, -0.0000395800000000 ] - [ -0.0004028100000000, 0.0002002300000000, 0.0008056800000000 ] - [ 0.0031011200000000, 0.0013501100000000, 0.0016086400000000 ] - [ -0.0042111700000000, 0.0008725500000000, -0.0011312800000000 ] - [ -0.0011236700000000, 0.0003214400000000, 0.0000392700000000 ] - [ -0.0006342100000000, -0.0002658400000000, 0.0001500100000000 ] - [ -0.0010566000000000, 0.0000967600000000, -0.0001745200000000 ] - [ -0.0002185400000000, -0.0001056500000000, -0.0005642600000000 ] - [ 0.0141701800000000, -0.0012655300000000, -0.0019105200000000 ] - [ -0.0060130700000000, 0.0004791300000000, 0.0075275100000000 ] - [ -0.0007244600000000, -0.0001340800000000, 0.0001251200000000 ] - [ 0.0000855600000000, -0.0007753900000000, 0.0002221800000000 ] - [ 0.0000501000000000, 0.0007438800000000, 0.0004611400000000 ] - [ -0.0195142500000000, 0.0057974500000000, 0.0477545600000000 ] - [ -0.0015310500000000, -0.0003453500000000, 0.0001367900000000 ] - [ -0.0189304200000000, 0.0110346300000000, -0.0224912700000000 ] - [ 0.0029468800000000, -0.0010800100000000, -0.0038113600000000 ] - [ 0.0116127700000000, 0.0017540500000000, 0.0188686300000000 ] - [ 0.0005069200000000, -0.0000535800000000, -0.0001605200000000 ] - [ -0.0157239600000000, 0.0018133700000000, 0.0239356800000000 ] - [ 0.0179685800000000, 0.0007755300000000, -0.3720905500000000 ] - [ 0.0027669400000000, -0.0020538000000000, 0.0157760900000000 ] - [ -0.0015538300000000, -0.0002172300000000, 0.0034916400000000 ] - [ 0.0210028100000000, -0.0064848000000000, 0.0124526900000000 ] - [ -0.0004402400000000, 0.0000372200000000, -0.0003016500000000 ] - [ 0.0002997300000000, -0.0006934800000000, 0.0109671400000000 ] - [ 0.0014662600000000, 0.0001465100000000, 0.0014774800000000 ] - [ -0.0147560100000000, 0.0089930400000000, -0.0196810800000000 ] - [ 0.0044352400000000, 0.0007125700000000, 0.0105171600000000 ] - [ -0.0008884300000000, 0.0004345700000000, 0.0008079200000000 ] - [ 0.0008935300000000, 0.0000078500000000, -0.0004470800000000 ] - [ -0.0005038400000000, 0.0001570800000000, -0.0003776900000000 ] - [ -0.0006771500000000, -0.0003473800000000, -0.0004844200000000 ] - [ -0.0009538000000000, -0.0004012600000000, 0.0008267700000000 ] - [ -0.0017856500000000, 0.0001749800000000, 0.0005222200000000 ] - [ -0.0002417400000000, -0.0002300200000000, 0.0003249500000000 ] - [ -0.0006191000000000, 0.0003557400000000, 0.0000542100000000 ] - [ -0.0005982500000000, -0.0003772900000000, 0.0001598200000000 ] - [ -0.0001308300000000, 0.0001561100000000, 0.0000687400000000 ] - [ -0.0003502700000000, 0.0002479200000000, 0.0002606100000000 ] - [ -0.0032086700000000, 0.0001821500000000, -0.0015608100000000 ] - [ -0.0006372400000000, -0.0001771900000000, -0.0000970600000000 ] - [ -0.0003159000000000, 0.0001778900000000, -0.0001802400000000 ] - [ -0.0003521400000000, -0.0005090400000000, -0.0002918800000000 ] - [ 0.0003522000000000, -0.0004731600000000, -0.0008728500000000 ] - [ 0.0079772600000000, -0.1155391400000000, 0.1706462200000000 ] - [ 0.0055544600000000, 0.0019036300000000, -0.0079569200000000 ] - [ -0.0000506100000000, 0.0000344300000000, -0.0004439400000000 ] - [ -0.0683820000000000, 0.0685555100000000, 0.0987317500000000 ] - [ 0.0012238100000000, 0.0025507300000000, -0.0087616700000000 ] - [ 0.0005163900000000, -0.0000349100000000, 0.0000452500000000 ] - [ -0.0036884900000000, 0.0031939700000000, -0.0062007300000000 ] - [ 0.0002342500000000, 0.0001364000000000, -0.0005620200000000 ] - [ 0.0555661700000000, 0.0322364000000000, 0.0530343800000000 ] - [ 0.0005763300000000, -0.0005423400000000, 0.0005094200000000 ] - [ 0.0005157000000000, 0.0006443500000000, 0.0003152200000000 ] - [ 0.0006604900000000, -0.0002470800000000, -0.0019815000000000 ] - [ 0.0002335200000000, -0.0001568900000000, -0.0003824400000000 ] - [ -0.0008437100000000, 0.0004801500000000, 0.0120280700000000 ] - [ -0.0037178200000000, -0.0031361600000000, -0.0024326400000000 ] - [ 0.0071466000000000, -0.0059101600000000, -0.0072970800000000 ] - [ 0.0010756500000000, 0.0000036700000000, 0.0002927200000000 ] - [ -0.0002512900000000, -0.0001726400000000, -0.0005229700000000 ] - [ -0.0005741500000000, 0.0006193600000000, 0.0003415900000000 ] - [ -0.0004362500000000, 0.0000529500000000, -0.0003853000000000 ] - [ 0.0046751300000000, 0.0013757200000000, -0.0005627600000000 ] - [ 0.0005780100000000, 0.0008823100000000, -0.0058426100000000 ] - [ -0.0004146000000000, -0.0007996800000000, 0.0018776600000000 ] - [ 0.0003836800000000, 0.0000122800000000, 0.0002117400000000 ] - [ -0.0032435500000000, -0.0031963500000000, -0.0072349900000000 ] - [ 0.0062214900000000, -0.0011098500000000, 0.0036710800000000 ] - [ 0.0011620300000000, 0.0002502700000000, -0.0008650500000000 ] - [ -0.0001487200000000, 0.0012002400000000, -0.0053790200000000 ] - [ 0.0005115700000000, 0.0001158200000000, -0.0002087600000000 ] - [ -0.0002216900000000, 0.0002323400000000, -0.0024313500000000 ] - [ 0.0073252100000000, 0.0048078200000000, -0.0033748800000000 ] - [ 0.0024371000000000, -0.0025914300000000, 0.0013377100000000 ] - [ -0.0002811300000000, -0.0000879900000000, -0.0003511300000000 ] - [ 0.0006130400000000, 0.0001801500000000, -0.0004926200000000 ] - [ -0.0033099600000000, 0.0025263100000000, -0.0004532300000000 ] - [ -0.0052840800000000, 0.0019434100000000, -0.0017738100000000 ] - [ -0.0002514800000000, -0.0010479500000000, -0.0025650500000000 ] - [ 0.0001995400000000, 0.0000456300000000, -0.0001479900000000 ] - [ 0.0003151200000000, 0.0000423900000000, -0.0001524300000000 ] - [ -0.0077955500000000, 0.0049685400000000, -0.0049273200000000 ] - [ 0.0068552300000000, -0.0070017400000000, 0.0000379400000000 ] - [ -0.0004181800000000, -0.0001336700000000, 0.0006296000000000 ] - [ -0.0067130900000000, -0.0038105000000000, 0.0047765800000000 ] - [ 0.0006395200000000, 0.0004003400000000, -0.0004278500000000 ] - [ -0.0005796300000000, -0.0026053200000000, -0.0080474300000000 ] - [ 0.0003491700000000, 0.0004494800000000, -0.0001305500000000 ] - [ 0.0003950900000000, -0.0000725300000000, -0.0005075000000000 ] - [ -0.0001132200000000, -0.0001598000000000, -0.0000679700000000 ] - [ -0.0000432000000000, -0.0002261600000000, 0.0005900600000000 ] - [ 0.0005121300000000, 0.0000094700000000, 0.0000916000000000 ] - [ -0.0015561100000000, -0.0003620600000000, -0.0008102200000000 ] - [ 0.0003315700000000, -0.0004254400000000, -0.0001697600000000 ] - [ 0.0001124800000000, 0.0000123700000000, -0.0002231900000000 ] - [ -0.0002390800000000, 0.0006096200000000, -0.0028087000000000 ] - [ -0.0001338900000000, 0.0000790900000000, 0.0004364400000000 ] - [ -0.0012093100000000, -0.0013593200000000, -0.0033270500000000 ] - [ -0.0000741100000000, -0.0000778200000000, 0.0004902200000000 ] - [ 0.0016237200000000, 0.0024258700000000, 0.0057805900000000 ] - [ 0.0002450600000000, 0.0024286500000000, -0.0038470300000000 ] - [ 0.0002392200000000, 0.0000322800000000, -0.0005115900000000 ] - [ 0.0011724600000000, -0.0049216100000000, 0.0052352700000000 ] - [ 0.0004755700000000, 0.0000180800000000, 0.0001222500000000 ] - [ 0.0005349600000000, -0.0000056000000000, 0.0000810600000000 ] - [ 0.0003417300000000, 0.0003529100000000, -0.0001050300000000 ] - [ -0.0007900700000000, 0.0001885600000000, 0.0008009600000000 ] - [ -0.0008561500000000, 0.0000339000000000, -0.0005633900000000 ] - [ 0.0008889500000000, 0.0002091100000000, -0.0001066300000000 ] - [ 0.0003707900000000, -0.0003460400000000, -0.0007151000000000 ] - [ 0.0004825400000000, 0.0004548300000000, -0.0001756100000000 ] - [ 0.0003858300000000, 0.0001271600000000, -0.0001001900000000 ] - [ 0.0002315300000000, -0.0000633600000000, 0.0000263000000000 ] - [ 0.0019151100000000, -0.0005249400000000, 0.0028637200000000 ] - [ 0.0002950300000000, -0.0004064700000000, 0.0002961500000000 ] - [ 0.0005931900000000, -0.0001823600000000, -0.0001052000000000 ] - [ 0.0002775300000000, -0.0001206500000000, -0.0003408500000000 ] - [ 0.0003465900000000, 0.0004400800000000, -0.0002050000000000 ] - [ -0.0003626900000000, 0.0005269700000000, -0.0000036900000000 ] - [ 0.0006853000000000, 0.0002203300000000, -0.0002703000000000 ] - [ 0.0001291800000000, 0.0004900600000000, 0.0008301900000000 ] - [ -0.0000274800000000, -0.0004465600000000, 0.0001306700000000 ] - [ 0.0012824800000000, -0.0002777000000000, -0.0002957600000000 ] - [ -0.0001799800000000, -0.0002395300000000, -0.0003313900000000 ] - [ 0.0003723200000000, -0.0003328700000000, -0.0000864900000000 ] - [ 0.0002257500000000, -0.0005194100000000, 0.0008021300000000 ] - [ 0.0001333100000000, 0.0003411600000000, 0.0000061800000000 ] - [ 0.0013701200000000, 0.0001082800000000, -0.0004362900000000 ] - [ 0.0011672700000000, -0.0003686200000000, -0.0003710700000000 ] - [ 0.0006425000000000, -0.0004611600000000, -0.0001707600000000 ] - [ 0.0002925200000000, 0.0003857400000000, 0.0003516600000000 ] - [ 0.0001582500000000, 0.0000683800000000, 0.0000390100000000 ] - [ 0.0001232300000000, 0.0000040200000000, -0.0001555600000000 ] - [ -0.0003409500000000, -0.0000511100000000, 0.0000538600000000 ] - [ -0.0000482700000000, 0.0002054500000000, 0.0005316600000000 ]- atom: 27 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0004425600000000, 0.0002812200000000, 0.0002940200000000 ] - [ -0.0000912000000000, -0.0002365000000000, 0.0003644500000000 ] - [ 0.0001676100000000, -0.0000497900000000, -0.0007252300000000 ] - [ -0.0002139300000000, 0.0002592700000000, 0.0000360700000000 ] - [ 0.0003969200000000, 0.0000988500000000, -0.0000155900000000 ] - [ -0.0000378700000000, -0.0001698400000000, 0.0008681000000000 ] - [ 0.0000529800000000, -0.0001262000000000, -0.0005583500000000 ] - [ -0.0002796200000000, 0.0003176700000000, -0.0004732700000000 ] - [ -0.0028866800000000, -0.0010448600000000, -0.0022975900000000 ] - [ 0.0044428900000000, -0.0011757600000000, 0.0004017000000000 ] - [ 0.0009435800000000, 0.0001876400000000, 0.0001609800000000 ] - [ 0.0004528900000000, -0.0002431800000000, 0.0000504100000000 ] - [ 0.0012841400000000, 0.0002074600000000, -0.0005248300000000 ] - [ 0.0004434500000000, -0.0001983200000000, -0.0001351600000000 ] - [ -0.0143909100000000, 0.0018061100000000, 0.0020434400000000 ] - [ 0.0058660600000000, -0.0009845200000000, -0.0073310400000000 ] - [ 0.0007042700000000, 0.0000342200000000, -0.0002224100000000 ] - [ 0.0011780700000000, -0.0008408500000000, 0.0006061700000000 ] - [ 0.0012130500000000, 0.0008723500000000, 0.0003667000000000 ] - [ 0.0190495800000000, -0.0045805200000000, -0.0465657600000000 ] - [ 0.0023676500000000, 0.0002965700000000, -0.0004739000000000 ] - [ 0.0192830100000000, -0.0109329800000000, 0.0221049900000000 ] - [ -0.0025443800000000, 0.0009133800000000, 0.0036352900000000 ] - [ -0.0121110400000000, -0.0029260200000000, -0.0172342300000000 ] - [ 0.0003263400000000, 0.0001028500000000, -0.0001658100000000 ] - [ 0.0162083900000000, -0.0021631900000000, -0.0234516400000000 ] - [ -0.0153649500000000, -0.0108311900000000, 0.3793175500000000 ] - [ -0.0027223500000000, 0.0013840800000000, -0.0158122400000000 ] - [ 0.0019411600000000, 0.0003776300000000, -0.0037235900000000 ] - [ -0.0203512700000000, 0.0067376000000000, -0.0120460800000000 ] - [ 0.0004214000000000, 0.0000636000000000, 0.0002059900000000 ] - [ -0.0002200500000000, 0.0005032100000000, -0.0114064300000000 ] - [ -0.0014798300000000, -0.0002472800000000, -0.0015818500000000 ] - [ 0.0160015800000000, -0.0107268200000000, 0.0206350100000000 ] - [ -0.0031691600000000, 0.0009076400000000, -0.0096959700000000 ] - [ 0.0003232400000000, 0.0007165400000000, 0.0008583200000000 ] - [ -0.0000636000000000, -0.0000587200000000, 0.0001102200000000 ] - [ 0.0006170200000000, 0.0000107800000000, -0.0000889800000000 ] - [ 0.0010826100000000, 0.0001885900000000, 0.0002837600000000 ] - [ 0.0003884000000000, -0.0007498500000000, 0.0008392600000000 ] - [ 0.0026238800000000, -0.0001257700000000, -0.0008496100000000 ] - [ 0.0009418400000000, -0.0002082500000000, 0.0000524500000000 ] - [ 0.0006929800000000, 0.0003361600000000, -0.0000994700000000 ] - [ 0.0006722200000000, -0.0003145300000000, -0.0002050700000000 ] - [ 0.0005354200000000, 0.0000030100000000, -0.0002706800000000 ] - [ 0.0010505500000000, 0.0001902700000000, 0.0001168400000000 ] - [ 0.0031907400000000, -0.0000816800000000, 0.0014777800000000 ] - [ 0.0007511700000000, 0.0000094100000000, -0.0003703000000000 ] - [ -0.0007304700000000, 0.0000912800000000, -0.0005143300000000 ] - [ -0.0002173900000000, -0.0004281300000000, -0.0000304300000000 ] - [ -0.0006816900000000, 0.0002386200000000, 0.0008424700000000 ] - [ -0.0090452800000000, 0.1222663600000000, -0.1780737700000000 ] - [ -0.0052471900000000, -0.0014585000000000, 0.0084293500000000 ] - [ -0.0007952200000000, 0.0000190200000000, -0.0005302700000000 ] - [ 0.0649060600000000, -0.0659039800000000, -0.0968956000000000 ] - [ -0.0013389500000000, -0.0024537900000000, 0.0084658600000000 ] - [ -0.0000401000000000, 0.0000844000000000, 0.0002933100000000 ] - [ 0.0026370200000000, -0.0028336100000000, 0.0069262000000000 ] - [ -0.0003316000000000, -0.0000205900000000, -0.0004103400000000 ] - [ -0.0554442400000000, -0.0318766700000000, -0.0525056600000000 ] - [ 0.0000866300000000, -0.0007625300000000, 0.0003021400000000 ] - [ 0.0001476000000000, 0.0006604600000000, 0.0004966000000000 ] - [ -0.0005942800000000, 0.0003335900000000, 0.0015559400000000 ] - [ -0.0003311300000000, 0.0000411800000000, -0.0005900900000000 ] - [ 0.0011969700000000, -0.0008751900000000, -0.0120995700000000 ] - [ 0.0040581900000000, 0.0027573600000000, 0.0028314800000000 ] - [ -0.0068670000000000, 0.0066866600000000, 0.0071525400000000 ] - [ -0.0008687900000000, -0.0000501400000000, -0.0004153500000000 ] - [ -0.0007934200000000, -0.0000967300000000, -0.0001705400000000 ] - [ 0.0008492000000000, -0.0003363700000000, -0.0010558500000000 ] - [ -0.0002389800000000, -0.0000839200000000, -0.0001657400000000 ] - [ -0.0042972600000000, -0.0006888400000000, 0.0000101800000000 ] - [ -0.0002276100000000, -0.0005236500000000, 0.0058333400000000 ] - [ 0.0004782200000000, 0.0007198700000000, -0.0023157400000000 ] - [ 0.0000925100000000, -0.0000615800000000, 0.0001265500000000 ] - [ 0.0033054500000000, 0.0022006500000000, 0.0079776800000000 ] - [ -0.0057102100000000, 0.0009630700000000, -0.0041233300000000 ] - [ -0.0008766200000000, -0.0005355900000000, 0.0001643400000000 ] - [ 0.0000866500000000, -0.0007563400000000, 0.0052571600000000 ] - [ -0.0010856800000000, 0.0008223400000000, -0.0001102900000000 ] - [ 0.0008536200000000, -0.0000499700000000, 0.0019964100000000 ] - [ -0.0077011200000000, -0.0041225900000000, 0.0049185000000000 ] - [ -0.0028870500000000, 0.0016576800000000, -0.0010241100000000 ] - [ -0.0005640200000000, 0.0000352600000000, -0.0006245500000000 ] - [ -0.0002289300000000, -0.0002684000000000, -0.0000295700000000 ] - [ 0.0035635100000000, -0.0033114600000000, 0.0003724400000000 ] - [ 0.0048976500000000, -0.0026457600000000, 0.0033107000000000 ] - [ -0.0001372200000000, 0.0019657100000000, 0.0028308200000000 ] - [ 0.0000105500000000, 0.0000014000000000, 0.0000244200000000 ] - [ 0.0000686600000000, 0.0000451800000000, -0.0003722200000000 ] - [ 0.0080936100000000, -0.0055840900000000, 0.0043019100000000 ] - [ -0.0066931700000000, 0.0079969000000000, 0.0004855900000000 ] - [ 0.0000854200000000, 0.0003725600000000, -0.0006824700000000 ] - [ 0.0065862900000000, 0.0037390100000000, -0.0051338400000000 ] - [ -0.0013229900000000, -0.0003722300000000, -0.0001166400000000 ] - [ 0.0001057600000000, 0.0028652100000000, 0.0091759100000000 ] - [ -0.0013939000000000, -0.0001816800000000, -0.0005658700000000 ] - [ -0.0009680400000000, -0.0008663500000000, 0.0001866700000000 ] - [ -0.0002181500000000, -0.0000750500000000, 0.0000253200000000 ] - [ -0.0004328600000000, -0.0000460700000000, 0.0005569700000000 ] - [ -0.0002372900000000, 0.0004327700000000, 0.0003234200000000 ] - [ 0.0007117700000000, 0.0004197300000000, -0.0001579700000000 ] - [ -0.0004150500000000, -0.0000167500000000, 0.0000454200000000 ] - [ -0.0002443300000000, 0.0001102700000000, -0.0000919800000000 ] - [ 0.0007090000000000, -0.0005619400000000, 0.0031624100000000 ] - [ -0.0009267100000000, 0.0002979600000000, 0.0002670800000000 ] - [ 0.0011101600000000, 0.0014775200000000, 0.0023597500000000 ] - [ -0.0009862400000000, -0.0002987000000000, 0.0002135300000000 ] - [ -0.0009536900000000, -0.0037214800000000, -0.0049652400000000 ] - [ 0.0004164000000000, -0.0011320200000000, 0.0046681800000000 ] - [ -0.0001753700000000, 0.0000545400000000, 0.0000814700000000 ] - [ -0.0012320200000000, 0.0048170400000000, -0.0062367900000000 ] - [ -0.0001430100000000, -0.0003782000000000, -0.0001129100000000 ] - [ -0.0002601500000000, -0.0004365600000000, 0.0003341700000000 ] - [ -0.0000817000000000, 0.0004495800000000, -0.0000067300000000 ] - [ 0.0010113800000000, -0.0002364200000000, -0.0009249700000000 ] - [ -0.0001902900000000, -0.0003035600000000, -0.0001290100000000 ] - [ -0.0006120300000000, 0.0000758400000000, -0.0006023000000000 ] - [ -0.0010500300000000, 0.0003168400000000, 0.0001659500000000 ] - [ -0.0001551400000000, 0.0002092000000000, -0.0004182300000000 ] - [ -0.0000533500000000, 0.0002330100000000, 0.0001103200000000 ] - [ -0.0001672100000000, -0.0000231100000000, -0.0004573700000000 ] - [ -0.0014130300000000, 0.0004744800000000, -0.0025733100000000 ] - [ -0.0002324500000000, -0.0006102200000000, 0.0004277100000000 ] - [ 0.0000275400000000, 0.0000055000000000, -0.0003248600000000 ] - [ 0.0000010900000000, -0.0001642800000000, -0.0003665000000000 ] - [ -0.0004298100000000, 0.0000020000000000, 0.0000802000000000 ] - [ -0.0002067700000000, 0.0004099400000000, -0.0003167800000000 ] - [ -0.0000650100000000, -0.0000435400000000, -0.0001595800000000 ] - [ -0.0004989800000000, 0.0002072700000000, 0.0006932100000000 ] - [ -0.0003718700000000, -0.0004718900000000, 0.0001462400000000 ] - [ -0.0021328400000000, 0.0002269800000000, -0.0006853900000000 ] - [ 0.0005627300000000, 0.0001514700000000, -0.0001897800000000 ] - [ -0.0001125900000000, -0.0004695900000000, -0.0000253800000000 ] - [ -0.0005955200000000, -0.0001778800000000, 0.0007210900000000 ] - [ -0.0005335100000000, 0.0005776700000000, 0.0002703500000000 ] - [ -0.0011667400000000, -0.0000612900000000, 0.0003099500000000 ] - [ -0.0007824600000000, 0.0004569200000000, -0.0001538500000000 ] - [ -0.0003154600000000, -0.0002029100000000, -0.0004227900000000 ] - [ -0.0002300500000000, 0.0006310900000000, 0.0003718300000000 ] - [ -0.0004905800000000, 0.0001672100000000, -0.0000826700000000 ] - [ -0.0002550500000000, -0.0001265500000000, -0.0001595700000000 ] - [ -0.0003359000000000, 0.0000817800000000, -0.0006026500000000 ] - [ -0.0004277000000000, 0.0000668300000000, 0.0006153000000000 ]- atom: 49 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0026647100000000, -0.0006471800000000, 0.0000216700000000 ] - [ 0.0029910900000000, -0.0025019300000000, -0.0021924900000000 ] - [ 0.0005695900000000, -0.0000363800000000, -0.0002151400000000 ] - [ 0.0013330600000000, -0.0001448700000000, -0.0007377300000000 ] - [ -0.0004150000000000, 0.0001240700000000, -0.0003044300000000 ] - [ -0.0006594300000000, -0.0002821500000000, 0.0001134600000000 ] - [ -0.0004037200000000, -0.0001244100000000, -0.0003085300000000 ] - [ -0.0006557800000000, 0.0002816000000000, 0.0001132800000000 ] - [ -0.0000279100000000, 0.0001691700000000, 0.0018843600000000 ] - [ -0.0004395700000000, -0.0004171200000000, -0.0023755500000000 ] - [ 0.0025289600000000, 0.0001134300000000, 0.0033237400000000 ] - [ -0.0001915200000000, 0.0015062300000000, -0.0041520900000000 ] - [ -0.0011848100000000, 0.0000451500000000, -0.0004286000000000 ] - [ -0.0011485700000000, -0.0000700700000000, -0.0003421000000000 ] - [ -0.0014329200000000, 0.0003300300000000, 0.0000672000000000 ] - [ -0.0014203900000000, -0.0003176500000000, 0.0001155800000000 ] - [ 0.0026459600000000, 0.0003212100000000, -0.0002061000000000 ] - [ -0.0026816700000000, -0.0004468700000000, 0.0016169100000000 ] - [ 0.0009639500000000, 0.0003702200000000, -0.0005868200000000 ] - [ -0.0014104900000000, 0.0002877100000000, 0.0008676200000000 ] - [ 0.0064898600000000, 0.0026681500000000, -0.0032699300000000 ] - [ -0.0013648300000000, 0.0005608000000000, -0.0009394400000000 ] - [ -0.0027854900000000, -0.0016601200000000, -0.0001283100000000 ] - [ -0.0013125000000000, -0.0003399100000000, 0.0007454500000000 ] - [ 0.0109586300000000, -0.0030487200000000, 0.0068117300000000 ] - [ -0.0005545000000000, -0.0002518100000000, 0.0001624100000000 ] - [ -0.0011596700000000, 0.0003930000000000, 0.0001669600000000 ] - [ -0.0009626200000000, -0.0003686500000000, 0.0002344600000000 ] - [ 0.0004862300000000, -0.0000112900000000, -0.0002916400000000 ] - [ -0.0008964500000000, 0.0002043500000000, 0.0006464000000000 ] - [ 0.1686072000000000, 0.1260465900000000, 0.0554319500000000 ] - [ -0.0007689000000000, 0.0000266900000000, 0.0003412500000000 ] - [ -0.0009640400000000, -0.0001127400000000, -0.0001182100000000 ] - [ -0.0003416300000000, -0.0007307400000000, 0.0002844100000000 ] - [ -0.0002974200000000, 0.0007270300000000, 0.0003005000000000 ] - [ -0.0023095600000000, -0.0003446000000000, -0.0000710600000000 ] - [ -0.0011821300000000, -0.0002296100000000, -0.0000910500000000 ] - [ -0.0010842600000000, 0.0002683000000000, -0.0000893000000000 ] - [ -0.0008588100000000, -0.0003674300000000, -0.0002962100000000 ] - [ -0.0004825000000000, -0.0009017100000000, 0.0015580800000000 ] - [ -0.0012001400000000, 0.0002334200000000, -0.0000992000000000 ] - [ -0.0005250000000000, -0.0002666200000000, 0.0003799000000000 ] - [ -0.0012483500000000, 0.0005491500000000, 0.0008299900000000 ] - [ -0.0007613100000000, -0.0003342700000000, -0.0003667300000000 ] - [ -0.0007782900000000, 0.0003694000000000, -0.0002690300000000 ] - [ -0.0009753200000000, 0.0002232600000000, 0.0003614400000000 ] - [ -0.0009802200000000, 0.0001133900000000, -0.0001129800000000 ] - [ -0.0009208000000000, -0.0001747100000000, -0.0003835500000000 ] - [ -0.1638623800000000, -0.1200287800000000, -0.0591555000000000 ] - [ -0.0005015600000000, 0.0010913500000000, -0.0020930300000000 ] - [ -0.0003063500000000, -0.0000209900000000, 0.0002753600000000 ] - [ 0.0001241200000000, -0.0002867400000000, 0.0005545300000000 ] - [ 0.0007004800000000, -0.0000842000000000, 0.0000919900000000 ] - [ -0.0019232400000000, -0.0001267200000000, -0.0009864500000000 ] - [ 0.0007043200000000, -0.0006666700000000, -0.0002348700000000 ] - [ 0.0001725800000000, -0.0000418900000000, -0.0001555700000000 ] - [ -0.0005241900000000, 0.0003164100000000, 0.0004543200000000 ] - [ 0.0001477800000000, 0.0000210300000000, 0.0005137000000000 ] - [ -0.0000662900000000, 0.0001744600000000, 0.0012100900000000 ] - [ 0.0002379000000000, 0.0000195900000000, 0.0005683400000000 ] - [ 0.0020434100000000, 0.0005339400000000, -0.0030757900000000 ] - [ -0.0003054500000000, 0.0007910500000000, 0.0010012800000000 ] - [ -0.0002070800000000, 0.0000157600000000, -0.0003504700000000 ] - [ 0.0042682200000000, 0.0000189300000000, -0.0035234200000000 ] - [ 0.0009353600000000, 0.0003042900000000, 0.0002341900000000 ] - [ 0.0008579200000000, 0.0001978600000000, -0.0000854600000000 ] - [ 0.0005267200000000, 0.0002924900000000, -0.0001442400000000 ] - [ -0.0041813300000000, -0.0000613500000000, -0.0012411500000000 ] - [ -0.0015677700000000, -0.0000584900000000, -0.0000554000000000 ] - [ 0.0022929500000000, 0.0022953700000000, -0.0027186400000000 ] - [ -0.0026499600000000, 0.0000051000000000, -0.0006801300000000 ] - [ 0.0006498700000000, 0.0005442900000000, 0.0001153900000000 ] - [ 0.0003420900000000, 0.0001774400000000, -0.0002369200000000 ] - [ 0.0012678300000000, 0.0005042300000000, 0.0004033900000000 ] - [ 0.0025338000000000, 0.0019504900000000, 0.0005712100000000 ] - [ 0.0004574400000000, -0.0003186600000000, 0.0003207800000000 ] - [ 0.0014338400000000, -0.0003477600000000, 0.0004036500000000 ] - [ -0.0002850000000000, -0.0004223000000000, -0.0000439300000000 ] - [ 0.0005185100000000, 0.0005070400000000, -0.0003117900000000 ] - [ -0.0013440700000000, 0.0008583600000000, 0.0010366500000000 ] - [ 0.0004301200000000, 0.0001275800000000, -0.0003984000000000 ] - [ 0.0004429700000000, 0.0006213400000000, 0.0008449300000000 ] - [ -0.0000209000000000, -0.0005669200000000, 0.0005457700000000 ] - [ -0.0052722300000000, -0.0022616700000000, 0.0055139300000000 ] - [ -0.0013444700000000, -0.0009517400000000, 0.0004396200000000 ] - [ 0.0004997400000000, -0.0003113200000000, -0.0001045400000000 ] - [ 0.0004121000000000, -0.0006046200000000, 0.0008650300000000 ] - [ 0.0003442300000000, 0.0003460400000000, -0.0004959700000000 ] - [ -0.0058692200000000, -0.0011955000000000, -0.0018017600000000 ] - [ -0.0188009400000000, -0.0043544100000000, -0.0016949600000000 ] - [ 0.0008596700000000, -0.0005677400000000, -0.0003311300000000 ] - [ 0.0004944200000000, 0.0003162700000000, 0.0002735100000000 ] - [ 0.0002528000000000, 0.0000845600000000, -0.0007418600000000 ] - [ 0.0003290900000000, 0.0000226300000000, -0.0002844400000000 ] - [ -0.0009040000000000, -0.0015119000000000, 0.0067533700000000 ] - [ 0.0000522400000000, 0.0002513800000000, 0.0005424600000000 ] - [ -0.0001202400000000, 0.0002098200000000, -0.0003661800000000 ] - [ 0.0002992700000000, -0.0001501900000000, -0.0002903100000000 ] - [ 0.0001435800000000, -0.0001118500000000, -0.0000137400000000 ] - [ 0.0002265400000000, -0.0002622700000000, 0.0003267800000000 ] - [ 0.0005676000000000, 0.0000406700000000, -0.0000477400000000 ] - [ 0.0000042000000000, 0.0000845100000000, -0.0003300100000000 ] - [ 0.0007066200000000, -0.0007052500000000, -0.0004615500000000 ] - [ 0.0001831000000000, -0.0000188200000000, -0.0001913900000000 ] - [ 0.0005912600000000, -0.0000573100000000, 0.0001058400000000 ] - [ -0.0000368500000000, 0.0000152600000000, 0.0009251400000000 ] - [ 0.0004205500000000, 0.0002054700000000, -0.0004659100000000 ] - [ 0.0001108300000000, 0.0000901100000000, -0.0000123200000000 ] - [ 0.0006997000000000, -0.0005483300000000, 0.0004242700000000 ] - [ 0.0006937600000000, 0.0005520700000000, 0.0004122000000000 ] - [ 0.0003638600000000, 0.0000534100000000, -0.0002573700000000 ] - [ 0.0004372000000000, -0.0002094600000000, -0.0004618800000000 ] - [ 0.0006456600000000, 0.0000304300000000, -0.0000490500000000 ] - [ 0.0010478700000000, 0.0003510800000000, 0.0000479800000000 ] - [ 0.0004088100000000, 0.0005990700000000, 0.0006227500000000 ] - [ 0.0010157100000000, -0.0000142200000000, 0.0002017000000000 ] - [ -0.0001265700000000, -0.0002093300000000, -0.0003637300000000 ] - [ 0.0009035000000000, 0.0001779200000000, -0.0001238900000000 ] - [ 0.0002743400000000, -0.0002688300000000, -0.0003513300000000 ] - [ 0.0007437900000000, 0.0004947900000000, -0.0001488800000000 ] - [ 0.0005800600000000, -0.0000320600000000, 0.0000733500000000 ] - [ 0.0003811800000000, -0.0000485500000000, -0.0002773600000000 ] - [ 0.0006026000000000, 0.0000581400000000, 0.0000957300000000 ] - [ 0.0000075100000000, -0.0005594100000000, 0.0001416000000000 ] - [ 0.0008905900000000, -0.0002929600000000, -0.0001969800000000 ] - [ 0.0008682100000000, -0.0001791700000000, -0.0001353200000000 ] - [ 0.0004648800000000, 0.0004595000000000, -0.0000679900000000 ] - [ 0.0002981000000000, 0.0001517200000000, -0.0002958200000000 ] - [ 0.0008433300000000, 0.0002662700000000, -0.0001473600000000 ] - [ 0.0017569200000000, 0.0006811700000000, 0.0016896800000000 ] - [ 0.0002512400000000, -0.0003249400000000, -0.0000243500000000 ] - [ 0.0000089500000000, -0.0000830300000000, -0.0003340700000000 ] - [ 0.0006443800000000, 0.0001482800000000, -0.0003679500000000 ] - [ 0.0005475500000000, -0.0001638200000000, -0.0008270200000000 ] - [ -0.0006689900000000, -0.0001888100000000, 0.0005179500000000 ] - [ 0.0002064400000000, 0.0003688900000000, 0.0000663000000000 ] - [ 0.0010176300000000, 0.0000138300000000, 0.0002032100000000 ] - [ 0.0006517200000000, -0.0001505700000000, -0.0003706200000000 ] - [ 0.0009392100000000, -0.0005932200000000, -0.0000239900000000 ] - [ 0.0009873300000000, 0.0000040700000000, 0.0004294000000000 ] - [ 0.0001573500000000, 0.0001112600000000, 0.0000055500000000 ] - [ 0.0003078500000000, 0.0000514000000000, -0.0002352100000000 ] - [ 0.0002742800000000, 0.0002690600000000, -0.0003587600000000 ] - [ -0.0000712400000000, 0.0002845100000000, 0.0007184800000000 ]- atom: 49 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0024011100000000, 0.0006555300000000, -0.0005124600000000 ] - [ -0.0036240800000000, 0.0019762400000000, 0.0025065700000000 ] - [ -0.0005967800000000, -0.0002006100000000, -0.0003814600000000 ] - [ -0.0020193100000000, 0.0006629000000000, 0.0010710700000000 ] - [ 0.0003853900000000, 0.0001125800000000, -0.0002930000000000 ] - [ -0.0000261100000000, -0.0002363900000000, 0.0002188100000000 ] - [ 0.0003741700000000, -0.0001128200000000, -0.0002890000000000 ] - [ -0.0000296700000000, 0.0002363000000000, 0.0002189300000000 ] - [ 0.0002502500000000, 0.0001335500000000, -0.0025704500000000 ] - [ 0.0006758200000000, 0.0001169300000000, 0.0016678800000000 ] - [ -0.0027319800000000, 0.0004020200000000, -0.0031240200000000 ] - [ 0.0000013300000000, -0.0020048500000000, 0.0043525100000000 ] - [ 0.0014048700000000, 0.0002584500000000, -0.0002709300000000 ] - [ 0.0013685500000000, -0.0002332800000000, -0.0003575900000000 ] - [ 0.0012458800000000, 0.0001792300000000, 0.0001326600000000 ] - [ 0.0012338400000000, -0.0001921000000000, 0.0000841200000000 ] - [ -0.0026711300000000, -0.0004215400000000, 0.0001188700000000 ] - [ 0.0039385100000000, -0.0011777300000000, -0.0007975300000000 ] - [ 0.0002908800000000, 0.0012448900000000, 0.0014153600000000 ] - [ 0.0008388000000000, 0.0008621700000000, 0.0007985300000000 ] - [ -0.0056303300000000, -0.0027240700000000, 0.0029770800000000 ] - [ 0.0014733000000000, -0.0003907300000000, 0.0004670300000000 ] - [ 0.0031816300000000, 0.0015022800000000, -0.0000757400000000 ] - [ 0.0007414300000000, -0.0008102500000000, 0.0009199400000000 ] - [ -0.0100980300000000, 0.0030353500000000, -0.0071047400000000 ] - [ 0.0012513700000000, -0.0001857000000000, 0.0002155200000000 ] - [ 0.0012276300000000, 0.0002982800000000, -0.0002115400000000 ] - [ 0.0010311200000000, -0.0003224800000000, -0.0002778200000000 ] - [ -0.0000775500000000, 0.0001684800000000, 0.0000928400000000 ] - [ 0.0015903700000000, 0.0002328500000000, -0.0002670800000000 ] - [ -0.1731173100000000, -0.1319125100000000, -0.0581474800000000 ] - [ 0.0008783000000000, -0.0001939100000000, -0.0008043600000000 ] - [ 0.0009397900000000, 0.0000121400000000, 0.0000215900000000 ] - [ 0.0016003100000000, -0.0008858100000000, 0.0005429800000000 ] - [ 0.0015560600000000, 0.0008894200000000, 0.0005270900000000 ] - [ 0.0017392600000000, 0.0014912800000000, 0.0017381700000000 ] - [ 0.0020098200000000, 0.0001799100000000, -0.0002388700000000 ] - [ 0.0011936300000000, -0.0001000100000000, -0.0003779100000000 ] - [ 0.0012592600000000, 0.0002067100000000, 0.0000939000000000 ] - [ -0.0000904600000000, -0.0002483000000000, 0.0001074400000000 ] - [ 0.0020279100000000, -0.0001833700000000, -0.0002304500000000 ] - [ 0.0012198600000000, -0.0001710800000000, -0.0000017200000000 ] - [ 0.0013165600000000, 0.0001410600000000, -0.0008750800000000 ] - [ 0.0008292900000000, -0.0003569900000000, 0.0003235500000000 ] - [ 0.0011788300000000, -0.0002088100000000, 0.0000670400000000 ] - [ 0.0016705500000000, 0.0002144800000000, 0.0000168400000000 ] - [ 0.0009555400000000, -0.0000124400000000, 0.0000163500000000 ] - [ 0.0010299500000000, 0.0000062700000000, -0.0000834000000000 ] - [ 0.1667023400000000, 0.1263683600000000, 0.0608926900000000 ] - [ -0.0000487300000000, -0.0020105100000000, 0.0017567600000000 ] - [ -0.0000255700000000, -0.0002142700000000, -0.0003194600000000 ] - [ -0.0005982200000000, 0.0000135400000000, 0.0005926800000000 ] - [ -0.0004225900000000, 0.0005249700000000, 0.0003224400000000 ] - [ 0.0010828000000000, 0.0001790100000000, 0.0000034200000000 ] - [ -0.0007844000000000, 0.0002225800000000, 0.0001096200000000 ] - [ -0.0003030500000000, 0.0001641200000000, -0.0001603000000000 ] - [ 0.0010053500000000, -0.0002676300000000, -0.0001186700000000 ] - [ -0.0012040900000000, 0.0003547200000000, 0.0001908000000000 ] - [ -0.0000269100000000, -0.0000574400000000, -0.0021812100000000 ] - [ -0.0012941700000000, -0.0003947600000000, 0.0001366300000000 ] - [ -0.0013751200000000, -0.0018289900000000, 0.0039076800000000 ] - [ 0.0009709900000000, 0.0005136500000000, -0.0001907700000000 ] - [ 0.0002699600000000, 0.0000704000000000, -0.0000806600000000 ] - [ -0.0044507700000000, -0.0001172100000000, 0.0026097900000000 ] - [ -0.0005982100000000, -0.0006604900000000, -0.0002219700000000 ] - [ -0.0005787000000000, -0.0006377000000000, 0.0004989000000000 ] - [ -0.0002646300000000, 0.0005094400000000, 0.0000313700000000 ] - [ 0.0043900000000000, 0.0000206900000000, 0.0010852800000000 ] - [ 0.0005234500000000, -0.0002106700000000, -0.0006409200000000 ] - [ -0.0019954900000000, -0.0019891100000000, 0.0019847700000000 ] - [ 0.0019733700000000, -0.0000276000000000, 0.0001362700000000 ] - [ -0.0003217100000000, 0.0001202000000000, -0.0007079800000000 ] - [ -0.0000089700000000, 0.0001834300000000, 0.0002445400000000 ] - [ -0.0011992400000000, -0.0005888700000000, -0.0008244800000000 ] - [ -0.0020754800000000, -0.0020422800000000, -0.0002386300000000 ] - [ -0.0003923000000000, -0.0006971600000000, 0.0004025400000000 ] - [ -0.0008091500000000, 0.0001705300000000, -0.0008294400000000 ] - [ 0.0005569300000000, 0.0001380200000000, -0.0006679400000000 ] - [ -0.0005991100000000, -0.0000637100000000, 0.0001857700000000 ] - [ 0.0007661600000000, 0.0000835100000000, -0.0013560900000000 ] - [ 0.0001917500000000, 0.0000496900000000, -0.0000337700000000 ] - [ -0.0008089500000000, 0.0000776800000000, 0.0006792000000000 ] - [ -0.0003788700000000, -0.0003539200000000, -0.0002661800000000 ] - [ 0.0045037000000000, 0.0022551900000000, -0.0065379200000000 ] - [ 0.0017301500000000, 0.0008649300000000, -0.0009659900000000 ] - [ -0.0002377100000000, -0.0004905900000000, -0.0000080600000000 ] - [ -0.0007781800000000, -0.0000945100000000, 0.0006589400000000 ] - [ -0.0007399100000000, 0.0005719500000000, 0.0007689700000000 ] - [ 0.0060582600000000, 0.0012500500000000, 0.0016600900000000 ] - [ 0.0194110000000000, 0.0045367100000000, 0.0012614700000000 ] - [ -0.0005291900000000, -0.0000967700000000, -0.0002625300000000 ] - [ -0.0004291300000000, 0.0006998200000000, 0.0004492600000000 ] - [ -0.0005760700000000, 0.0001469600000000, 0.0006953700000000 ] - [ -0.0004587700000000, -0.0001446100000000, -0.0000307900000000 ] - [ 0.0001989700000000, 0.0015357800000000, -0.0072968600000000 ] - [ -0.0005267700000000, 0.0000213400000000, 0.0006041100000000 ] - [ -0.0009229700000000, 0.0000598300000000, -0.0003276900000000 ] - [ -0.0008674800000000, -0.0007863700000000, -0.0000313500000000 ] - [ -0.0004729900000000, -0.0001230200000000, -0.0000296200000000 ] - [ -0.0007009400000000, -0.0000105000000000, 0.0008201500000000 ] - [ -0.0002886800000000, 0.0003994800000000, 0.0004617400000000 ] - [ -0.0008470400000000, -0.0000307000000000, -0.0006443900000000 ] - [ -0.0007873900000000, 0.0002618800000000, 0.0003363500000000 ] - [ -0.0003132100000000, 0.0001410000000000, -0.0001242300000000 ] - [ -0.0001125200000000, 0.0001062900000000, 0.0002319700000000 ] - [ -0.0010195600000000, 0.0003602500000000, -0.0002210600000000 ] - [ -0.0005147200000000, -0.0000884200000000, -0.0005067200000000 ] - [ -0.0011669800000000, -0.0004660700000000, 0.0007174700000000 ] - [ -0.0000342600000000, -0.0007552600000000, 0.0003879000000000 ] - [ -0.0000282000000000, 0.0007516800000000, 0.0003996100000000 ] - [ -0.0002980100000000, 0.0000332600000000, -0.0001730700000000 ] - [ -0.0005310500000000, 0.0000923200000000, -0.0005105000000000 ] - [ -0.0003109300000000, -0.0003891900000000, 0.0000589500000000 ] - [ -0.0007691600000000, -0.0007912900000000, 0.0003659700000000 ] - [ -0.0001470300000000, 0.0002027600000000, -0.0007372000000000 ] - [ -0.0008034800000000, -0.0000322900000000, -0.0003235900000000 ] - [ -0.0009166800000000, -0.0000602100000000, -0.0003306400000000 ] - [ -0.0006219600000000, 0.0001072900000000, -0.0005836900000000 ] - [ -0.0009489100000000, 0.0002379400000000, -0.0001981600000000 ] - [ -0.0004133400000000, 0.0001699600000000, -0.0004441300000000 ] - [ -0.0002454000000000, 0.0003912400000000, -0.0000633600000000 ] - [ -0.0003155800000000, -0.0000377900000000, -0.0001525100000000 ] - [ -0.0001236600000000, -0.0001068800000000, 0.0002421100000000 ] - [ 0.0000581300000000, -0.0004565400000000, 0.0005811400000000 ] - [ -0.0002676000000000, 0.0001154400000000, -0.0002332500000000 ] - [ -0.0005870400000000, -0.0001060400000000, -0.0005721200000000 ] - [ -0.0005448100000000, -0.0000156000000000, -0.0000583400000000 ] - [ -0.0008662800000000, 0.0007848000000000, -0.0000257200000000 ] - [ -0.0002201900000000, -0.0000886000000000, -0.0002831200000000 ] - [ -0.0021205800000000, 0.0000222200000000, -0.0001667500000000 ] - [ -0.0006484300000000, -0.0005934500000000, 0.0003009000000000 ] - [ -0.0008518900000000, 0.0000295600000000, -0.0006403700000000 ] - [ -0.0002579800000000, -0.0002358200000000, -0.0001558500000000 ] - [ -0.0002840900000000, -0.0006366600000000, 0.0007136700000000 ] - [ 0.0003044900000000, -0.0005108600000000, 0.0010059400000000 ] - [ -0.0006037600000000, 0.0005494300000000, 0.0002100000000000 ] - [ -0.0008048000000000, 0.0000333600000000, -0.0003256900000000 ] - [ -0.0002653100000000, 0.0002381700000000, -0.0001533600000000 ] - [ -0.0006089000000000, -0.0000714500000000, -0.0005687800000000 ] - [ -0.0009230100000000, 0.0010117800000000, 0.0002945100000000 ] - [ -0.0004874800000000, 0.0001242100000000, -0.0000492500000000 ] - [ -0.0004379000000000, -0.0001733700000000, -0.0000800000000000 ] - [ -0.0009489000000000, -0.0002381700000000, -0.0001906700000000 ] - [ -0.0004028400000000, -0.0000115500000000, 0.0004279500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020866100000000, 0.0039208900000000, -0.0007921800000000 ] - [ -0.0020868300000000, 0.0037210600000000, 0.0065893500000000 ] - [ 0.0001491000000000, 0.0000525200000000, -0.0003881800000000 ] - [ 0.0002748800000000, -0.0001117700000000, -0.0006588100000000 ] - [ -0.0000891800000000, 0.0001200700000000, -0.0002986100000000 ] - [ -0.0004027700000000, -0.0002636300000000, 0.0001565100000000 ] - [ -0.0000908100000000, -0.0001191700000000, -0.0003018400000000 ] - [ -0.0004029700000000, 0.0002637300000000, 0.0001557600000000 ] - [ 0.0004499100000000, -0.0004494000000000, -0.0003691000000000 ] - [ -0.0003386400000000, -0.0001988200000000, -0.0008930800000000 ] - [ 0.0005339400000000, 0.0009053700000000, -0.0002484800000000 ] - [ -0.0013820000000000, 0.0016967300000000, -0.0006845400000000 ] - [ -0.0001474800000000, 0.0001299900000000, -0.0003604400000000 ] - [ -0.0001208000000000, -0.0001367900000000, -0.0003555100000000 ] - [ -0.0003483800000000, 0.0002687500000000, 0.0000947400000000 ] - [ -0.0003463300000000, -0.0002665100000000, 0.0001018800000000 ] - [ 0.0004570600000000, -0.0000148800000000, -0.0007932700000000 ] - [ 0.0025126500000000, -0.0029706800000000, 0.0019567400000000 ] - [ 0.0003535400000000, 0.0004097600000000, -0.0003824400000000 ] - [ -0.0004956800000000, 0.0005196500000000, 0.0008387800000000 ] - [ 0.0021394600000000, 0.0010160200000000, -0.0004439600000000 ] - [ -0.0001883800000000, 0.0000954100000000, -0.0002565300000000 ] - [ -0.0007095200000000, -0.0010275000000000, 0.0002677500000000 ] - [ -0.0004858900000000, -0.0005279200000000, 0.0008176300000000 ] - [ 0.0065633300000000, -0.0016257000000000, 0.0017613300000000 ] - [ 0.0001408200000000, -0.0002291400000000, 0.0001746000000000 ] - [ -0.0001890600000000, 0.0003560100000000, 0.0000182800000000 ] - [ -0.0001553900000000, -0.0003503300000000, 0.0000146700000000 ] - [ 0.0003002200000000, 0.0001676500000000, -0.0002520600000000 ] - [ 0.0001394300000000, 0.0002177100000000, 0.0002657400000000 ] - [ 0.1207384600000000, 0.1427681800000000, 0.0514749900000000 ] - [ -0.0000995300000000, -0.0000204800000000, -0.0001589200000000 ] - [ -0.0001938800000000, -0.0000629700000000, -0.0000618400000000 ] - [ 0.0004466200000000, -0.0007930200000000, 0.0003910200000000 ] - [ 0.0004531200000000, 0.0007925300000000, 0.0003917900000000 ] - [ -0.0012577400000000, -0.0002010600000000, 0.0010421600000000 ] - [ 0.0001108800000000, -0.0000640200000000, -0.0001546700000000 ] - [ -0.0001006200000000, 0.0000925100000000, -0.0001906000000000 ] - [ 0.0000021000000000, -0.0001308200000000, -0.0001183900000000 ] - [ -0.0001602600000000, -0.0006523000000000, 0.0006379200000000 ] - [ 0.0001046500000000, 0.0000648300000000, -0.0001511500000000 ] - [ 0.0001962900000000, -0.0002407800000000, 0.0001365800000000 ] - [ 0.0000029000000000, 0.0003701100000000, 0.0002938600000000 ] - [ -0.0002883700000000, -0.0003159300000000, -0.0001954400000000 ] - [ 0.0000058400000000, 0.0001379100000000, -0.0001518600000000 ] - [ 0.0000568600000000, 0.0002037300000000, 0.0003654800000000 ] - [ -0.0001960500000000, 0.0000640800000000, -0.0000604600000000 ] - [ -0.0001771500000000, -0.0001152700000000, -0.0002768000000000 ] - [ -0.1209234300000000, -0.1730488300000000, -0.0665251600000000 ] - [ 0.0011952600000000, 0.0025391500000000, -0.0029620900000000 ] - [ -0.0002065300000000, -0.0001224600000000, 0.0000646400000000 ] - [ -0.0001695300000000, -0.0001653700000000, 0.0005698000000000 ] - [ 0.0002554700000000, 0.0001584900000000, 0.0001818100000000 ] - [ -0.0007778200000000, 0.0000110900000000, 0.0001087400000000 ] - [ 0.0000966400000000, -0.0003012400000000, -0.0001020600000000 ] - [ -0.0000171800000000, 0.0000398700000000, -0.0001423500000000 ] - [ 0.0000121900000000, 0.0000808400000000, 0.0006640000000000 ] - [ -0.0004004300000000, 0.0001560500000000, 0.0003843500000000 ] - [ 0.0003589300000000, 0.0002835900000000, 0.0005630200000000 ] - [ -0.0003848800000000, -0.0001496500000000, 0.0003916500000000 ] - [ 0.0009239100000000, 0.0004887400000000, -0.0006564400000000 ] - [ 0.0002249100000000, 0.0006500800000000, 0.0007625800000000 ] - [ -0.0000038200000000, 0.0001070200000000, -0.0002401600000000 ] - [ -0.0043130300000000, -0.0003510300000000, 0.0002134100000000 ] - [ 0.0003040400000000, -0.0000937500000000, -0.0000275900000000 ] - [ 0.0002745200000000, -0.0001414600000000, 0.0001535900000000 ] - [ 0.0002053700000000, 0.0003815900000000, -0.0000714300000000 ] - [ -0.0004786600000000, 0.0002641300000000, -0.0012071900000000 ] - [ -0.0006005700000000, -0.0002382200000000, -0.0000084100000000 ] - [ 0.0006972800000000, 0.0001776200000000, -0.0010838900000000 ] - [ -0.0022126700000000, -0.0006395400000000, 0.0006416700000000 ] - [ 0.0002962700000000, 0.0003793700000000, -0.0002257100000000 ] - [ 0.0002227500000000, 0.0001337500000000, 0.0000220000000000 ] - [ 0.0008121700000000, 0.0004874100000000, -0.0002115700000000 ] - [ -0.0000458200000000, 0.0025162400000000, -0.0015707900000000 ] - [ 0.0001142900000000, -0.0004724500000000, 0.0003539600000000 ] - [ 0.0004256100000000, -0.0001870700000000, -0.0002071500000000 ] - [ 0.0001090700000000, -0.0002016400000000, -0.0002166600000000 ] - [ 0.0000584200000000, 0.0002688400000000, -0.0001049000000000 ] - [ -0.0003291100000000, 0.0008704000000000, -0.0000402600000000 ] - [ 0.0002564600000000, 0.0000733800000000, -0.0002218200000000 ] - [ -0.0000656400000000, 0.0004002100000000, 0.0007779500000000 ] - [ -0.0001024100000000, -0.0004295400000000, 0.0001575200000000 ] - [ -0.0031762200000000, -0.0081803400000000, 0.0021526300000000 ] - [ -0.0001580700000000, -0.0002299700000000, -0.0000085300000000 ] - [ 0.0002019600000000, -0.0003843200000000, -0.0000651700000000 ] - [ -0.0000691500000000, -0.0003978400000000, 0.0007815400000000 ] - [ -0.0001162400000000, 0.0004921800000000, 0.0000624600000000 ] - [ -0.0030154000000000, -0.0011800900000000, -0.0006139000000000 ] - [ 0.0044509700000000, 0.0286588100000000, 0.0078761300000000 ] - [ 0.0003061300000000, -0.0004006700000000, -0.0002778800000000 ] - [ 0.0001195400000000, 0.0004727100000000, 0.0003438600000000 ] - [ -0.0006586000000000, 0.0007143700000000, -0.0000466800000000 ] - [ 0.0000023300000000, -0.0000383600000000, -0.0001848800000000 ] - [ -0.0002714700000000, -0.0018997200000000, 0.0012393600000000 ] - [ -0.0001789500000000, 0.0001631000000000, 0.0005743100000000 ] - [ -0.0004461300000000, 0.0001486400000000, -0.0003507000000000 ] - [ -0.0001720000000000, -0.0004074900000000, -0.0001859300000000 ] - [ -0.0001049500000000, -0.0001128500000000, -0.0000133800000000 ] - [ -0.0001549000000000, -0.0000869900000000, 0.0003754600000000 ] - [ 0.0001861300000000, 0.0002028600000000, 0.0001996300000000 ] - [ -0.0003402500000000, 0.0000391000000000, -0.0004564400000000 ] - [ -0.0000089500000000, -0.0002488300000000, -0.0001060700000000 ] - [ -0.0000094700000000, 0.0000252700000000, -0.0001235900000000 ] - [ 0.0003057600000000, 0.0000091200000000, 0.0001579900000000 ] - [ -0.0001974700000000, 0.0001461500000000, 0.0005589600000000 ] - [ 0.0000417500000000, 0.0000860600000000, -0.0004821200000000 ] - [ -0.0008239400000000, -0.0002746300000000, 0.0002698400000000 ] - [ 0.0004016500000000, -0.0006334600000000, 0.0004080500000000 ] - [ 0.0004010000000000, 0.0006339400000000, 0.0004069600000000 ] - [ 0.0000970100000000, 0.0000461700000000, -0.0002204500000000 ] - [ 0.0000443400000000, -0.0000859800000000, -0.0004822000000000 ] - [ 0.0002499400000000, -0.0001410400000000, -0.0000305200000000 ] - [ 0.0004315700000000, -0.0000126800000000, 0.0001185900000000 ] - [ 0.0003058800000000, 0.0003917200000000, -0.0000585100000000 ] - [ 0.0002787100000000, -0.0000220000000000, -0.0000108500000000 ] - [ -0.0004465100000000, -0.0001483100000000, -0.0003495400000000 ] - [ 0.0002853100000000, 0.0001476800000000, -0.0003136800000000 ] - [ -0.0002192300000000, -0.0000639100000000, -0.0002900600000000 ] - [ 0.0002753500000000, 0.0003699400000000, -0.0002536700000000 ] - [ 0.0002535700000000, 0.0001352400000000, 0.0000354100000000 ] - [ 0.0000992200000000, -0.0000425600000000, -0.0002330100000000 ] - [ 0.0003077000000000, -0.0000087200000000, 0.0001555600000000 ] - [ 0.0001039300000000, -0.0003882300000000, 0.0005245200000000 ] - [ 0.0004044900000000, -0.0001234500000000, -0.0002141300000000 ] - [ 0.0002816800000000, -0.0001522200000000, -0.0003070800000000 ] - [ 0.0001096500000000, 0.0002946500000000, -0.0000774300000000 ] - [ -0.0001753000000000, 0.0004094500000000, -0.0001853800000000 ] - [ 0.0004267000000000, 0.0001280500000000, -0.0001997200000000 ] - [ 0.0012381800000000, 0.0004506100000000, 0.0009790500000000 ] - [ -0.0001251900000000, -0.0004324500000000, 0.0001111300000000 ] - [ -0.0003392500000000, -0.0000380100000000, -0.0004578100000000 ] - [ 0.0002788300000000, -0.0000072200000000, -0.0002817700000000 ] - [ 0.0000946600000000, -0.0004062300000000, -0.0000786000000000 ] - [ -0.0003450300000000, -0.0003128300000000, 0.0008914200000000 ] - [ -0.0001122000000000, 0.0004407500000000, 0.0001192000000000 ] - [ 0.0002812300000000, 0.0000224700000000, -0.0000104500000000 ] - [ 0.0002802600000000, 0.0000066900000000, -0.0002832700000000 ] - [ 0.0003265800000000, -0.0003799600000000, -0.0002566600000000 ] - [ -0.0000851100000000, 0.0009222700000000, -0.0001094900000000 ] - [ -0.0001040000000000, 0.0001173200000000, -0.0000216400000000 ] - [ -0.0000114800000000, -0.0000811300000000, -0.0002413500000000 ] - [ -0.0002233800000000, 0.0000623700000000, -0.0002888200000000 ] - [ -0.0001868900000000, 0.0001929500000000, 0.0006958300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021837600000000, -0.0037172400000000, 0.0002378600000000 ] - [ 0.0013478700000000, -0.0040646600000000, -0.0059421500000000 ] - [ -0.0001777000000000, -0.0002896300000000, -0.0002027400000000 ] - [ -0.0009488800000000, 0.0006276400000000, 0.0009904700000000 ] - [ 0.0000580900000000, 0.0001168400000000, -0.0002989600000000 ] - [ -0.0002841500000000, -0.0002548100000000, 0.0001757000000000 ] - [ 0.0000598600000000, -0.0001179400000000, -0.0002958100000000 ] - [ -0.0002838300000000, 0.0002542700000000, 0.0001766900000000 ] - [ -0.0002461600000000, 0.0007526800000000, -0.0003393800000000 ] - [ 0.0005707800000000, -0.0000998400000000, 0.0001884000000000 ] - [ -0.0007238100000000, -0.0003952300000000, 0.0004672900000000 ] - [ 0.0012080700000000, -0.0021887300000000, 0.0008754800000000 ] - [ 0.0003644500000000, 0.0001732700000000, -0.0003400700000000 ] - [ 0.0003377000000000, -0.0001660200000000, -0.0003447700000000 ] - [ 0.0001574600000000, 0.0002408100000000, 0.0001057600000000 ] - [ 0.0001551900000000, -0.0002429300000000, 0.0000987200000000 ] - [ -0.0004705900000000, -0.0000852200000000, 0.0007045100000000 ] - [ -0.0012540200000000, 0.0013629800000000, -0.0011637300000000 ] - [ 0.0009062800000000, 0.0012015900000000, 0.0012089400000000 ] - [ -0.0000760900000000, 0.0006278100000000, 0.0008284700000000 ] - [ -0.0012892900000000, -0.0010763300000000, 0.0001411600000000 ] - [ 0.0002969800000000, 0.0000696200000000, -0.0002140600000000 ] - [ 0.0010963000000000, 0.0008538200000000, -0.0004761500000000 ] - [ -0.0000852100000000, -0.0006196100000000, 0.0008497900000000 ] - [ -0.0057481400000000, 0.0017405200000000, -0.0019575100000000 ] - [ 0.0005543700000000, -0.0002125800000000, 0.0002057700000000 ] - [ 0.0002554200000000, 0.0003396600000000, -0.0000636700000000 ] - [ 0.0002207900000000, -0.0003450500000000, -0.0000577000000000 ] - [ 0.0001040300000000, -0.0000101900000000, 0.0000605000000000 ] - [ 0.0005525200000000, 0.0002250800000000, 0.0001107900000000 ] - [ -0.1264352000000000, -0.1465946100000000, -0.0539344400000000 ] - [ 0.0002004400000000, -0.0001471800000000, -0.0003060000000000 ] - [ 0.0001671900000000, -0.0000377000000000, -0.0000364300000000 ] - [ 0.0008105500000000, -0.0008219100000000, 0.0004358600000000 ] - [ 0.0008039200000000, 0.0008227000000000, 0.0004352900000000 ] - [ 0.0006878400000000, 0.0013476400000000, 0.0006216600000000 ] - [ 0.0007116600000000, 0.0000139100000000, -0.0001757100000000 ] - [ 0.0002044700000000, 0.0000746900000000, -0.0002773800000000 ] - [ 0.0003941800000000, -0.0000300000000000, -0.0000843500000000 ] - [ -0.0004102500000000, -0.0004971700000000, 0.0010338100000000 ] - [ 0.0007179200000000, -0.0000139400000000, -0.0001789300000000 ] - [ 0.0004976700000000, -0.0002011800000000, 0.0002426900000000 ] - [ 0.0000611400000000, 0.0003255200000000, -0.0003375400000000 ] - [ 0.0003560700000000, -0.0003795800000000, 0.0001507000000000 ] - [ 0.0003909200000000, 0.0000230400000000, -0.0000502800000000 ] - [ 0.0006360900000000, 0.0002386500000000, 0.0000124800000000 ] - [ 0.0001690000000000, 0.0000372700000000, -0.0000379700000000 ] - [ 0.0002818200000000, -0.0000513200000000, -0.0001917400000000 ] - [ 0.1254963000000000, 0.1775007500000000, 0.0680884500000000 ] - [ -0.0017234900000000, -0.0034156700000000, 0.0025984000000000 ] - [ -0.0001247100000000, -0.0001125300000000, -0.0001114100000000 ] - [ -0.0003036900000000, -0.0001107200000000, 0.0005813300000000 ] - [ 0.0000208400000000, 0.0002833700000000, 0.0002348000000000 ] - [ -0.0000699300000000, 0.0000404800000000, -0.0010885100000000 ] - [ -0.0001742900000000, -0.0001445400000000, -0.0000264500000000 ] - [ -0.0001124500000000, 0.0000850000000000, -0.0001777900000000 ] - [ 0.0004625700000000, -0.0000287900000000, -0.0003281400000000 ] - [ -0.0006559900000000, 0.0002218300000000, 0.0003195100000000 ] - [ -0.0004548900000000, -0.0001691000000000, -0.0015269700000000 ] - [ -0.0006719800000000, -0.0002273600000000, 0.0003125400000000 ] - [ -0.0002415400000000, -0.0017719100000000, 0.0014612500000000 ] - [ 0.0004345200000000, 0.0006594600000000, 0.0000475400000000 ] - [ 0.0000745000000000, -0.0000210700000000, -0.0001999700000000 ] - [ 0.0042569400000000, 0.0002123800000000, -0.0011829800000000 ] - [ 0.0000319000000000, -0.0002605200000000, 0.0000422900000000 ] - [ 0.0000033800000000, -0.0002993200000000, 0.0002629100000000 ] - [ 0.0000569400000000, 0.0004216100000000, -0.0000381600000000 ] - [ 0.0006794000000000, -0.0003004200000000, 0.0010710600000000 ] - [ -0.0004498700000000, -0.0000277500000000, -0.0006904000000000 ] - [ -0.0003921600000000, 0.0001004000000000, 0.0003845800000000 ] - [ 0.0015575700000000, 0.0005515300000000, -0.0012371400000000 ] - [ 0.0000343500000000, 0.0002878100000000, -0.0003665800000000 ] - [ 0.0001116800000000, 0.0002254500000000, -0.0000130700000000 ] - [ -0.0007363500000000, -0.0005680100000000, -0.0002093100000000 ] - [ 0.0004858700000000, -0.0025725100000000, 0.0019133800000000 ] - [ -0.0000483800000000, -0.0005442700000000, 0.0003664800000000 ] - [ 0.0001947400000000, 0.0000085000000000, -0.0002200400000000 ] - [ 0.0001631500000000, -0.0000818600000000, -0.0004973700000000 ] - [ -0.0001346900000000, 0.0001780300000000, -0.0000246000000000 ] - [ -0.0002467400000000, 0.0000768600000000, -0.0002777900000000 ] - [ 0.0003712500000000, 0.0001076800000000, -0.0002082700000000 ] - [ -0.0003009400000000, 0.0002982700000000, 0.0007443800000000 ] - [ -0.0002962300000000, -0.0004881500000000, 0.0001158600000000 ] - [ 0.0024227500000000, 0.0082090200000000, -0.0030992700000000 ] - [ 0.0005393400000000, 0.0001423400000000, -0.0005186900000000 ] - [ 0.0000602300000000, -0.0004184700000000, -0.0000442700000000 ] - [ -0.0002975500000000, -0.0003003100000000, 0.0007405500000000 ] - [ -0.0002782000000000, 0.0004233200000000, 0.0002099000000000 ] - [ 0.0031733300000000, 0.0012198000000000, 0.0004738500000000 ] - [ -0.0041803500000000, -0.0291415500000000, -0.0086702600000000 ] - [ 0.0000310500000000, -0.0002668300000000, -0.0003119400000000 ] - [ -0.0000535500000000, 0.0005445800000000, 0.0003765900000000 ] - [ 0.0003229900000000, -0.0004739400000000, 0.0000073600000000 ] - [ -0.0001320500000000, -0.0000852100000000, -0.0001323900000000 ] - [ -0.0004296400000000, 0.0019165100000000, -0.0018191200000000 ] - [ -0.0002944400000000, 0.0001127100000000, 0.0005756000000000 ] - [ -0.0005971700000000, 0.0001196300000000, -0.0003432400000000 ] - [ -0.0003951200000000, -0.0005287900000000, -0.0001353400000000 ] - [ -0.0002230800000000, -0.0001199100000000, -0.0000298700000000 ] - [ -0.0003178900000000, -0.0001887700000000, 0.0007752100000000 ] - [ 0.0000906100000000, 0.0002390100000000, 0.0002165700000000 ] - [ -0.0005024300000000, 0.0000157500000000, -0.0005158400000000 ] - [ -0.0000673300000000, -0.0001979500000000, -0.0000233600000000 ] - [ -0.0001203200000000, 0.0000995000000000, -0.0001955600000000 ] - [ 0.0001713100000000, 0.0000411800000000, 0.0001798900000000 ] - [ -0.0008618400000000, 0.0002316800000000, 0.0001448900000000 ] - [ -0.0001367100000000, 0.0000303700000000, -0.0004895700000000 ] - [ -0.0002305000000000, -0.0001020500000000, 0.0004334600000000 ] - [ 0.0002626500000000, -0.0006719900000000, 0.0004033600000000 ] - [ 0.0002634300000000, 0.0006719800000000, 0.0004041800000000 ] - [ -0.0000283900000000, 0.0000407300000000, -0.0002108900000000 ] - [ -0.0001390000000000, -0.0000300500000000, -0.0004893300000000 ] - [ 0.0000855000000000, -0.0002154500000000, 0.0000423300000000 ] - [ -0.0001544000000000, -0.0004282500000000, 0.0002984900000000 ] - [ -0.0000447300000000, 0.0004133900000000, -0.0000500400000000 ] - [ -0.0000649700000000, -0.0000240300000000, -0.0001084700000000 ] - [ -0.0005967800000000, -0.0001194100000000, -0.0003449700000000 ] - [ -0.0000006600000000, 0.0001387000000000, -0.0003926000000000 ] - [ -0.0004531000000000, 0.0000330600000000, -0.0002584000000000 ] - [ 0.0000579400000000, 0.0002972300000000, -0.0003379300000000 ] - [ 0.0000815000000000, 0.0002220000000000, -0.0000232700000000 ] - [ -0.0000307000000000, -0.0000436400000000, -0.0001979300000000 ] - [ 0.0001694800000000, -0.0000409500000000, 0.0001824000000000 ] - [ -0.0000396700000000, -0.0006300500000000, 0.0001937500000000 ] - [ 0.0002209100000000, -0.0000561500000000, -0.0002138300000000 ] - [ 0.0000023400000000, -0.0001337500000000, -0.0003991800000000 ] - [ -0.0001870000000000, 0.0001515800000000, -0.0000513500000000 ] - [ -0.0003918500000000, 0.0005271500000000, -0.0001359400000000 ] - [ 0.0001985700000000, 0.0000519400000000, -0.0002282700000000 ] - [ -0.0016051900000000, 0.0002477700000000, 0.0005439400000000 ] - [ -0.0002711000000000, -0.0004837800000000, 0.0001615700000000 ] - [ -0.0005035600000000, -0.0000160800000000, -0.0005143700000000 ] - [ 0.0001078700000000, -0.0000794200000000, -0.0002425100000000 ] - [ 0.0001699600000000, -0.0003945600000000, -0.0000345900000000 ] - [ -0.0000240800000000, -0.0003842900000000, 0.0006285100000000 ] - [ -0.0002845500000000, 0.0004759800000000, 0.0001536400000000 ] - [ -0.0000669700000000, 0.0000244700000000, -0.0001093200000000 ] - [ 0.0001064500000000, 0.0000803600000000, -0.0002411400000000 ] - [ 0.0000071900000000, -0.0002872000000000, -0.0003340900000000 ] - [ 0.0001528800000000, 0.0000911700000000, 0.0008345000000000 ] - [ -0.0002246500000000, 0.0001162600000000, -0.0000217600000000 ] - [ -0.0001179500000000, -0.0000427400000000, -0.0000770900000000 ] - [ -0.0004490400000000, -0.0000310200000000, -0.0002597000000000 ] - [ -0.0002868500000000, 0.0000830700000000, 0.0004540800000000 ]- atom: 49 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0002407100000000, -0.0001048000000000, 0.0021987000000000 ] - [ -0.0026656200000000, 0.0051216100000000, 0.0090994200000000 ] - [ 0.0000762700000000, -0.0002370800000000, -0.0014647700000000 ] - [ -0.0004001000000000, 0.0002829200000000, -0.0015737300000000 ] - [ 0.0000117200000000, 0.0001186500000000, -0.0002959600000000 ] - [ -0.0003244600000000, -0.0002575700000000, 0.0001700900000000 ] - [ 0.0000045500000000, -0.0001176700000000, -0.0003007500000000 ] - [ -0.0003252600000000, 0.0002577000000000, 0.0001679000000000 ] - [ 0.0037991400000000, 0.0007295700000000, -0.0005332100000000 ] - [ -0.0030344800000000, -0.0007603100000000, -0.0007290400000000 ] - [ 0.0025664600000000, 0.0005776900000000, -0.0013808400000000 ] - [ -0.0040442800000000, 0.0019527100000000, -0.0003405800000000 ] - [ 0.0001699800000000, 0.0001560400000000, -0.0003369800000000 ] - [ 0.0001981000000000, -0.0001575600000000, -0.0003616300000000 ] - [ -0.0000350600000000, 0.0002535700000000, 0.0001046800000000 ] - [ 0.0000013000000000, -0.0002478800000000, 0.0000965900000000 ] - [ 0.0003405700000000, 0.0001118800000000, -0.0026914500000000 ] - [ 0.0023223900000000, -0.0036640300000000, 0.0037201400000000 ] - [ -0.0001812600000000, 0.0001162200000000, -0.0014334500000000 ] - [ -0.0001519100000000, 0.0006209400000000, 0.0008807000000000 ] - [ -0.0006363400000000, 0.0022735900000000, -0.0060885900000000 ] - [ -0.0006774600000000, 0.0003965200000000, 0.0002874400000000 ] - [ 0.0009847100000000, 0.0008151800000000, 0.0031275200000000 ] - [ -0.0002877000000000, -0.0005624100000000, 0.0007897000000000 ] - [ -0.0009055700000000, -0.0022298600000000, -0.0004536500000000 ] - [ 0.0001050900000000, -0.0002848300000000, -0.0001505100000000 ] - [ 0.0000170000000000, 0.0003799900000000, 0.0001417000000000 ] - [ 0.0001708800000000, -0.0003127000000000, -0.0001997700000000 ] - [ -0.0005642800000000, 0.0007049100000000, -0.0022041100000000 ] - [ 0.0007542100000000, 0.0001382700000000, 0.0005421800000000 ] - [ 0.0429870600000000, 0.0473820300000000, 0.0515486400000000 ] - [ 0.0008243700000000, 0.0000931300000000, -0.0008128400000000 ] - [ 0.0000398000000000, -0.0000465400000000, -0.0000504600000000 ] - [ 0.0006875700000000, -0.0008156300000000, 0.0004446800000000 ] - [ 0.0006795500000000, 0.0008095400000000, 0.0003968100000000 ] - [ -0.0009856100000000, 0.0004123500000000, 0.0017288500000000 ] - [ 0.0005053600000000, -0.0000131500000000, -0.0001741900000000 ] - [ 0.0002154800000000, 0.0000337600000000, -0.0002193800000000 ] - [ 0.0002724300000000, -0.0000581400000000, -0.0000575500000000 ] - [ 0.0001474500000000, -0.0006867300000000, 0.0002110800000000 ] - [ 0.0005069700000000, 0.0000130000000000, -0.0001633900000000 ] - [ 0.0004327500000000, -0.0002415200000000, 0.0000144700000000 ] - [ 0.0004876700000000, 0.0003773900000000, 0.0001903700000000 ] - [ -0.0002810000000000, -0.0002801500000000, -0.0002395800000000 ] - [ 0.0002467100000000, 0.0000678400000000, -0.0001224200000000 ] - [ 0.0003795200000000, 0.0001919500000000, 0.0003769400000000 ] - [ 0.0000466300000000, 0.0000459600000000, -0.0000395300000000 ] - [ 0.0000283500000000, -0.0001089400000000, -0.0002480900000000 ] - [ -0.0578652600000000, -0.0654653400000000, -0.0740288600000000 ] - [ -0.0029904700000000, -0.0035958100000000, 0.0034749000000000 ] - [ 0.0002043700000000, 0.0002102300000000, 0.0007220300000000 ] - [ -0.0002677500000000, -0.0000835100000000, 0.0004836600000000 ] - [ 0.0001997500000000, 0.0002090200000000, 0.0002252300000000 ] - [ -0.0009930700000000, 0.0004251800000000, 0.0012800000000000 ] - [ 0.0000745200000000, -0.0003145200000000, -0.0001272300000000 ] - [ -0.0000899400000000, 0.0000142300000000, 0.0000911200000000 ] - [ -0.0002759900000000, 0.0001102900000000, 0.0015740500000000 ] - [ -0.0005961300000000, 0.0001986100000000, 0.0003539200000000 ] - [ 0.0008560900000000, 0.0003973700000000, 0.0016347400000000 ] - [ -0.0005411700000000, -0.0001997500000000, 0.0003286000000000 ] - [ 0.0006218400000000, -0.0000010800000000, 0.0000535200000000 ] - [ 0.0005946100000000, 0.0003272700000000, 0.0013642600000000 ] - [ -0.0006913600000000, -0.0000097500000000, 0.0016687700000000 ] - [ -0.0063305900000000, 0.0016453100000000, -0.0006959000000000 ] - [ 0.0000352500000000, -0.0005968500000000, -0.0006812600000000 ] - [ -0.0000178700000000, -0.0002800100000000, 0.0002179900000000 ] - [ 0.0000957300000000, 0.0004023100000000, -0.0000532300000000 ] - [ -0.0010726100000000, -0.0011282500000000, 0.0034157800000000 ] - [ -0.0002133200000000, -0.0004766700000000, 0.0008150800000000 ] - [ -0.0024588500000000, -0.0002337100000000, -0.0022671600000000 ] - [ -0.0012700900000000, 0.0013044300000000, 0.0012174200000000 ] - [ 0.0006227300000000, 0.0003295500000000, -0.0001131300000000 ] - [ 0.0002558700000000, -0.0001746800000000, 0.0006144700000000 ] - [ 0.0012248600000000, 0.0001510400000000, -0.0019694200000000 ] - [ 0.0015510400000000, -0.0007192500000000, -0.0023569700000000 ] - [ 0.0000116200000000, -0.0005169200000000, 0.0004023400000000 ] - [ 0.0010753100000000, -0.0003082500000000, -0.0005110400000000 ] - [ 0.0018376200000000, -0.0006631000000000, 0.0012097900000000 ] - [ -0.0002072900000000, 0.0001115500000000, 0.0000214600000000 ] - [ 0.0010011700000000, -0.0003562200000000, 0.0002733700000000 ] - [ -0.0002769100000000, -0.0001263300000000, 0.0001469200000000 ] - [ -0.0002385200000000, 0.0003261000000000, 0.0007456300000000 ] - [ 0.0002351500000000, -0.0001671800000000, 0.0001249600000000 ] - [ 0.0162083800000000, 0.0090833500000000, 0.0043692400000000 ] - [ -0.0001876600000000, -0.0005846300000000, 0.0010276900000000 ] - [ 0.0001214600000000, -0.0004104500000000, -0.0000494700000000 ] - [ -0.0002001900000000, -0.0003416200000000, 0.0007640100000000 ] - [ -0.0007333100000000, 0.0007473200000000, 0.0002332800000000 ] - [ 0.0031001600000000, 0.0010130600000000, 0.0017077300000000 ] - [ 0.0036743700000000, 0.0053700600000000, -0.0062278400000000 ] - [ -0.0004502100000000, -0.0002916300000000, -0.0004873900000000 ] - [ 0.0000020300000000, 0.0005214700000000, 0.0003232400000000 ] - [ -0.0007391600000000, 0.0003932900000000, -0.0010709600000000 ] - [ -0.0000755700000000, -0.0001231600000000, -0.0004239200000000 ] - [ 0.0040828200000000, -0.0004999400000000, 0.0078978100000000 ] - [ -0.0002452800000000, 0.0001713500000000, 0.0006618800000000 ] - [ -0.0005459400000000, 0.0001294300000000, -0.0003476000000000 ] - [ -0.0003161300000000, -0.0004857700000000, -0.0001544800000000 ] - [ -0.0001813000000000, -0.0001147400000000, -0.0000129100000000 ] - [ -0.0002776800000000, -0.0000287000000000, 0.0003302300000000 ] - [ 0.0000289800000000, 0.0002837600000000, 0.0002953600000000 ] - [ -0.0004447000000000, 0.0000241600000000, -0.0004937300000000 ] - [ -0.0002475500000000, -0.0001149800000000, -0.0000001900000000 ] - [ -0.0000620900000000, 0.0000235200000000, -0.0000774200000000 ] - [ 0.0002175700000000, 0.0000279200000000, 0.0001796600000000 ] - [ 0.0000292000000000, 0.0002196900000000, 0.0004914000000000 ] - [ -0.0000760800000000, 0.0000536700000000, -0.0004801700000000 ] - [ -0.0012810800000000, -0.0003195000000000, 0.0002412900000000 ] - [ 0.0003106900000000, -0.0006616000000000, 0.0003982200000000 ] - [ 0.0003113100000000, 0.0006545200000000, 0.0004130500000000 ] - [ 0.0000153600000000, 0.0000446200000000, -0.0002047400000000 ] - [ -0.0000745900000000, -0.0000463500000000, -0.0004933400000000 ] - [ 0.0001258900000000, -0.0001957200000000, -0.0000280500000000 ] - [ 0.0002201800000000, -0.0001589000000000, 0.0001252500000000 ] - [ 0.0007288700000000, 0.0000460700000000, -0.0003248100000000 ] - [ 0.0000539800000000, -0.0000234900000000, -0.0000761400000000 ] - [ -0.0005432400000000, -0.0001308400000000, -0.0003449500000000 ] - [ 0.0000937400000000, 0.0001361700000000, -0.0003748900000000 ] - [ -0.0003695500000000, -0.0000022600000000, -0.0002720600000000 ] - [ 0.0001259600000000, 0.0003331300000000, -0.0002818400000000 ] - [ 0.0001574600000000, 0.0001866300000000, 0.0000311200000000 ] - [ 0.0000124300000000, -0.0000412300000000, -0.0002185700000000 ] - [ 0.0002176900000000, -0.0000319200000000, 0.0001640900000000 ] - [ 0.0001834500000000, -0.0002015000000000, 0.0008488900000000 ] - [ 0.0002504000000000, -0.0000687800000000, -0.0002189600000000 ] - [ 0.0001025400000000, -0.0001437100000000, -0.0003590900000000 ] - [ 0.0000510400000000, 0.0002598900000000, -0.0000981800000000 ] - [ -0.0003194700000000, 0.0004870400000000, -0.0001519000000000 ] - [ 0.0003037200000000, 0.0000859000000000, -0.0002142800000000 ] - [ 0.0005585800000000, 0.0005166500000000, -0.0001594000000000 ] - [ -0.0002445500000000, -0.0004668000000000, 0.0001550200000000 ] - [ -0.0004495800000000, -0.0000217800000000, -0.0004979600000000 ] - [ 0.0001675100000000, -0.0000546600000000, -0.0002545800000000 ] - [ -0.0001796900000000, -0.0005895400000000, 0.0001383100000000 ] - [ -0.0005062500000000, -0.0002647300000000, 0.0012042800000000 ] - [ -0.0002057000000000, 0.0004641100000000, 0.0001333100000000 ] - [ 0.0000518900000000, 0.0000234300000000, -0.0000757200000000 ] - [ 0.0001659600000000, 0.0000549600000000, -0.0002566900000000 ] - [ 0.0001360900000000, -0.0003104200000000, -0.0003341400000000 ] - [ -0.0003321000000000, 0.0012013900000000, -0.0005154100000000 ] - [ -0.0001852500000000, 0.0001216900000000, -0.0000341800000000 ] - [ -0.0001097500000000, -0.0001229700000000, -0.0002522900000000 ] - [ -0.0003748800000000, -0.0000002900000000, -0.0002679600000000 ] - [ -0.0002204400000000, 0.0001816700000000, 0.0007739200000000 ]- atom: 49 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0002429900000000, 0.0003335300000000, -0.0027975200000000 ] - [ 0.0018772400000000, -0.0052543100000000, -0.0083866000000000 ] - [ -0.0001047800000000, 0.0000022400000000, 0.0008678900000000 ] - [ -0.0002815200000000, 0.0002331100000000, 0.0019029400000000 ] - [ -0.0000420700000000, 0.0001181400000000, -0.0003015900000000 ] - [ -0.0003618000000000, -0.0002608700000000, 0.0001619900000000 ] - [ -0.0000347700000000, -0.0001196200000000, -0.0002969200000000 ] - [ -0.0003610800000000, 0.0002603500000000, 0.0001641500000000 ] - [ -0.0035848800000000, -0.0004387200000000, -0.0001740700000000 ] - [ 0.0032517900000000, 0.0004567600000000, 0.0000318300000000 ] - [ -0.0027314400000000, -0.0000675900000000, 0.0015948300000000 ] - [ 0.0038571200000000, -0.0024746500000000, 0.0005201700000000 ] - [ 0.0000477900000000, 0.0001472200000000, -0.0003635600000000 ] - [ 0.0000197800000000, -0.0001455500000000, -0.0003386100000000 ] - [ -0.0001532100000000, 0.0002556900000000, 0.0000956400000000 ] - [ -0.0001891600000000, -0.0002618200000000, 0.0001030700000000 ] - [ -0.0003597200000000, -0.0002108200000000, 0.0025890800000000 ] - [ -0.0010958700000000, 0.0020350600000000, -0.0028737500000000 ] - [ 0.0014434300000000, 0.0015030400000000, 0.0022595500000000 ] - [ -0.0004201300000000, 0.0005284000000000, 0.0007853600000000 ] - [ 0.0014438600000000, -0.0023284200000000, 0.0057424300000000 ] - [ 0.0007853700000000, -0.0002285600000000, -0.0007525700000000 ] - [ -0.0005825000000000, -0.0009775800000000, -0.0033261100000000 ] - [ -0.0002847300000000, -0.0005866500000000, 0.0008762000000000 ] - [ 0.0018695200000000, 0.0023763700000000, -0.0000248500000000 ] - [ 0.0005882900000000, -0.0001535500000000, 0.0005292700000000 ] - [ 0.0000500500000000, 0.0003122100000000, -0.0001857300000000 ] - [ -0.0001042900000000, -0.0003791800000000, 0.0001556200000000 ] - [ 0.0009669300000000, -0.0005424000000000, 0.0020014100000000 ] - [ -0.0000596000000000, 0.0003003900000000, -0.0001643500000000 ] - [ -0.0431930000000000, -0.0474251600000000, -0.0510354800000000 ] - [ -0.0007169300000000, -0.0002614100000000, 0.0003443700000000 ] - [ -0.0000654400000000, -0.0000541100000000, -0.0000468500000000 ] - [ 0.0005695700000000, -0.0008002200000000, 0.0003823700000000 ] - [ 0.0005772600000000, 0.0008062600000000, 0.0004301800000000 ] - [ 0.0004070900000000, 0.0007336300000000, -0.0000682200000000 ] - [ 0.0003197300000000, -0.0000374100000000, -0.0001555800000000 ] - [ -0.0001081600000000, 0.0001346800000000, -0.0002474400000000 ] - [ 0.0001265500000000, -0.0001029900000000, -0.0001451600000000 ] - [ -0.0007167300000000, -0.0004655500000000, 0.0014588200000000 ] - [ 0.0003179700000000, 0.0000376400000000, -0.0001661900000000 ] - [ 0.0002619500000000, -0.0001968500000000, 0.0003642500000000 ] - [ -0.0004230800000000, 0.0003149800000000, -0.0002322500000000 ] - [ 0.0003493300000000, -0.0004117500000000, 0.0001938900000000 ] - [ 0.0001528300000000, 0.0000931300000000, -0.0000798000000000 ] - [ 0.0003133300000000, 0.0002464000000000, 0.0000013000000000 ] - [ -0.0000724600000000, 0.0000547500000000, -0.0000579000000000 ] - [ 0.0000796200000000, -0.0000592200000000, -0.0002199000000000 ] - [ 0.0573180100000000, 0.0654948900000000, 0.0726486400000000 ] - [ 0.0024516200000000, 0.0027069200000000, -0.0038434300000000 ] - [ -0.0005349700000000, -0.0004464800000000, -0.0007657900000000 ] - [ -0.0002063100000000, -0.0001900500000000, 0.0006638700000000 ] - [ 0.0000789600000000, 0.0002313100000000, 0.0001885600000000 ] - [ 0.0001447600000000, -0.0003718700000000, -0.0022521900000000 ] - [ -0.0001538800000000, -0.0001301000000000, 0.0000009400000000 ] - [ -0.0000399400000000, 0.0001081600000000, -0.0004072400000000 ] - [ 0.0007509300000000, -0.0000609100000000, -0.0012367700000000 ] - [ -0.0004595200000000, 0.0001773500000000, 0.0003508600000000 ] - [ -0.0009538400000000, -0.0002797100000000, -0.0026084700000000 ] - [ -0.0005149000000000, -0.0001758200000000, 0.0003762000000000 ] - [ 0.0000625500000000, -0.0012849700000000, 0.0007340800000000 ] - [ 0.0000707400000000, 0.0009746800000000, -0.0005496800000000 ] - [ 0.0007572000000000, 0.0000973600000000, -0.0020989200000000 ] - [ 0.0062055000000000, -0.0017386600000000, -0.0002959000000000 ] - [ 0.0002989700000000, 0.0002374100000000, 0.0006896000000000 ] - [ 0.0002964300000000, -0.0001603600000000, 0.0001960700000000 ] - [ 0.0001666500000000, 0.0003996400000000, -0.0000592200000000 ] - [ 0.0012713200000000, 0.0010614300000000, -0.0034953600000000 ] - [ -0.0008309400000000, 0.0002061400000000, -0.0015073500000000 ] - [ 0.0027383400000000, 0.0005111500000000, 0.0015614400000000 ] - [ 0.0005700300000000, -0.0013354300000000, -0.0017521600000000 ] - [ -0.0002913000000000, 0.0003358300000000, -0.0004800100000000 ] - [ 0.0000797200000000, 0.0005327200000000, -0.0006033800000000 ] - [ -0.0011566700000000, -0.0002340000000000, 0.0015377000000000 ] - [ -0.0010480500000000, 0.0006886900000000, 0.0026950200000000 ] - [ 0.0000539400000000, -0.0004987700000000, 0.0003205100000000 ] - [ -0.0004529700000000, 0.0001305300000000, 0.0000794800000000 ] - [ -0.0015564600000000, 0.0003793400000000, -0.0019177900000000 ] - [ 0.0001279800000000, 0.0003329100000000, -0.0001475700000000 ] - [ -0.0015659400000000, 0.0012913800000000, -0.0005959600000000 ] - [ 0.0008999900000000, 0.0003043300000000, -0.0005764400000000 ] - [ -0.0001273800000000, 0.0003729900000000, 0.0007779700000000 ] - [ -0.0006313800000000, -0.0007501400000000, 0.0001494500000000 ] - [ -0.0174107500000000, -0.0093221000000000, -0.0056387400000000 ] - [ 0.0005720900000000, 0.0004964300000000, -0.0015482200000000 ] - [ 0.0001411000000000, -0.0003913200000000, -0.0000630200000000 ] - [ -0.0001654600000000, -0.0003576400000000, 0.0007593200000000 ] - [ 0.0003358100000000, 0.0001712600000000, 0.0000439700000000 ] - [ -0.0029218600000000, -0.0009923500000000, -0.0018228200000000 ] - [ -0.0033183900000000, -0.0052339400000000, 0.0058105000000000 ] - [ 0.0007811200000000, -0.0003738400000000, -0.0001043900000000 ] - [ 0.0000634600000000, 0.0004945800000000, 0.0003992000000000 ] - [ 0.0004026600000000, -0.0001538100000000, 0.0010294600000000 ] - [ -0.0000546400000000, 0.0000010400000000, 0.0001080200000000 ] - [ -0.0046876100000000, 0.0005481900000000, -0.0083691000000000 ] - [ -0.0002286600000000, 0.0001022100000000, 0.0004855300000000 ] - [ -0.0004966200000000, 0.0001404400000000, -0.0003463400000000 ] - [ -0.0002517000000000, -0.0004503300000000, -0.0001673700000000 ] - [ -0.0001482200000000, -0.0001203200000000, -0.0000305800000000 ] - [ -0.0001956800000000, -0.0002445200000000, 0.0008166400000000 ] - [ 0.0002488700000000, 0.0001572600000000, 0.0001183400000000 ] - [ -0.0003978800000000, 0.0000295700000000, -0.0004803400000000 ] - [ 0.0001684400000000, -0.0003300200000000, -0.0001265100000000 ] - [ -0.0000682300000000, 0.0000990400000000, -0.0002388100000000 ] - [ 0.0002608800000000, 0.0000212200000000, 0.0001577600000000 ] - [ -0.0010866100000000, 0.0001564800000000, 0.0002147700000000 ] - [ -0.0000180100000000, 0.0000637500000000, -0.0004921800000000 ] - [ 0.0002251400000000, -0.0000557300000000, 0.0004608300000000 ] - [ 0.0003546200000000, -0.0006421800000000, 0.0004137700000000 ] - [ 0.0003541900000000, 0.0006494600000000, 0.0003986800000000 ] - [ 0.0000510300000000, 0.0000422600000000, -0.0002257800000000 ] - [ -0.0000192800000000, -0.0000710000000000, -0.0004788800000000 ] - [ 0.0002094100000000, -0.0001625900000000, 0.0000376400000000 ] - [ 0.0000595600000000, -0.0002804100000000, 0.0002890700000000 ] - [ -0.0004681100000000, 0.0007573000000000, 0.0002167100000000 ] - [ 0.0001595000000000, -0.0000228000000000, -0.0000453700000000 ] - [ -0.0004993500000000, -0.0001388500000000, -0.0003495300000000 ] - [ 0.0001887500000000, 0.0001489200000000, -0.0003324200000000 ] - [ -0.0003043700000000, -0.0000289100000000, -0.0002778600000000 ] - [ 0.0002047200000000, 0.0003321800000000, -0.0003112200000000 ] - [ 0.0001774200000000, 0.0001721200000000, -0.0000208300000000 ] - [ 0.0000538100000000, -0.0000452400000000, -0.0002115300000000 ] - [ 0.0002608600000000, -0.0000169600000000, 0.0001733700000000 ] - [ -0.0001198600000000, -0.0008156800000000, -0.0001277900000000 ] - [ 0.0003729900000000, -0.0001090000000000, -0.0002109700000000 ] - [ 0.0001793700000000, -0.0001413300000000, -0.0003481500000000 ] - [ -0.0001306900000000, 0.0001843300000000, -0.0000276600000000 ] - [ -0.0002483400000000, 0.0004490900000000, -0.0001699600000000 ] - [ 0.0003196300000000, 0.0000919700000000, -0.0002156300000000 ] - [ -0.0009177700000000, 0.0001852200000000, 0.0016916200000000 ] - [ -0.0001524200000000, -0.0004511700000000, 0.0001205800000000 ] - [ -0.0003931200000000, -0.0000315600000000, -0.0004760500000000 ] - [ 0.0002193100000000, -0.0000323000000000, -0.0002694300000000 ] - [ 0.0004432900000000, -0.0002109400000000, -0.0002549800000000 ] - [ 0.0001360900000000, -0.0004323700000000, 0.0003172800000000 ] - [ -0.0001916400000000, 0.0004540500000000, 0.0001425100000000 ] - [ 0.0001623200000000, 0.0000235700000000, -0.0000462800000000 ] - [ 0.0002208900000000, 0.0000321100000000, -0.0002674500000000 ] - [ 0.0001954300000000, -0.0003552900000000, -0.0002579800000000 ] - [ 0.0003994500000000, -0.0001847400000000, 0.0012377700000000 ] - [ -0.0001449100000000, 0.0001139600000000, -0.0000095200000000 ] - [ -0.0000200500000000, 0.0000007800000000, -0.0000637800000000 ] - [ -0.0002991000000000, 0.0000315900000000, -0.0002820100000000 ] - [ -0.0002540800000000, 0.0000919200000000, 0.0003737600000000 ]- atom: 50 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0027095100000000, -0.0001395600000000, -0.0005733900000000 ] - [ 0.0006067800000000, -0.0000844400000000, 0.0011745000000000 ] - [ 0.0037858300000000, 0.0008739300000000, 0.0004584300000000 ] - [ 0.0034676100000000, 0.0001024000000000, -0.0007889100000000 ] - [ -0.0005921000000000, 0.0001271600000000, -0.0003089200000000 ] - [ -0.0008019100000000, -0.0002926900000000, 0.0000882400000000 ] - [ -0.0005945600000000, -0.0001267200000000, -0.0003114400000000 ] - [ -0.0008064700000000, 0.0002925300000000, 0.0000894900000000 ] - [ 0.0156855300000000, 0.0017330100000000, 0.0042028600000000 ] - [ 0.0037964800000000, -0.0001227900000000, 0.0001063900000000 ] - [ 0.0008840500000000, 0.0002403200000000, 0.0004985600000000 ] - [ -0.0069456900000000, -0.0015550800000000, 0.0002945500000000 ] - [ -0.0017813900000000, 0.0000101900000000, -0.0004033000000000 ] - [ -0.0017420800000000, -0.0000189100000000, -0.0003983100000000 ] - [ -0.0019863100000000, 0.0003412500000000, 0.0000976500000000 ] - [ -0.0021070700000000, -0.0003704400000000, 0.0000748100000000 ] - [ 0.0013648800000000, -0.0000560700000000, -0.0025999100000000 ] - [ -0.0003939000000000, -0.0007322600000000, 0.0018599600000000 ] - [ -0.0006256400000000, 0.0008400400000000, -0.0015900000000000 ] - [ -0.0020052500000000, 0.0001291700000000, 0.0006078200000000 ] - [ 0.0072772100000000, 0.0008612700000000, -0.0002170400000000 ] - [ 0.0000086000000000, -0.0002909200000000, -0.0009596700000000 ] - [ -0.0012979000000000, 0.0051138800000000, -0.0054970200000000 ] - [ -0.0017234500000000, -0.0002479800000000, 0.0009653600000000 ] - [ 0.0955871800000000, 0.0705735300000000, -0.0453608100000000 ] - [ -0.0004699500000000, -0.0001125700000000, 0.0015750200000000 ] - [ -0.0012401200000000, 0.0002749000000000, -0.0001094000000000 ] - [ -0.0018689100000000, -0.0005273100000000, 0.0007519100000000 ] - [ 0.0025702100000000, -0.0001305300000000, 0.0039343400000000 ] - [ -0.0021818700000000, 0.0006038100000000, -0.0009519500000000 ] - [ -0.0006797100000000, -0.0001742500000000, 0.0031935800000000 ] - [ -0.0047292500000000, 0.0002506600000000, 0.0021533100000000 ] - [ -0.0014147200000000, -0.0001405700000000, -0.0001320500000000 ] - [ -0.0007521100000000, -0.0006808000000000, 0.0001798600000000 ] - [ -0.0007694200000000, 0.0007047700000000, 0.0002953700000000 ] - [ -0.0024906900000000, -0.0000849100000000, 0.0011541900000000 ] - [ -0.0019278400000000, -0.0003267600000000, -0.0000618500000000 ] - [ -0.0014486900000000, 0.0002785200000000, -0.0001849500000000 ] - [ -0.0012957800000000, -0.0004991700000000, -0.0003459000000000 ] - [ -0.0011847100000000, -0.0004663400000000, 0.0005161300000000 ] - [ -0.0019478800000000, 0.0003289400000000, -0.0000644500000000 ] - [ -0.0011528300000000, -0.0002998500000000, 0.0002961100000000 ] - [ -0.0013181800000000, 0.0004712300000000, 0.0006406300000000 ] - [ -0.0019072900000000, -0.0001760300000000, -0.0001274000000000 ] - [ -0.0012906300000000, 0.0005072100000000, -0.0003869500000000 ] - [ -0.0013388000000000, 0.0002391800000000, 0.0005803500000000 ] - [ -0.0014224200000000, 0.0001431100000000, -0.0001579500000000 ] - [ -0.0015539300000000, -0.0003175800000000, -0.0002971900000000 ] - [ -0.0007345000000000, 0.0016130700000000, -0.0030870300000000 ] - [ -0.1272433700000000, -0.1063700800000000, 0.0460598700000000 ] - [ -0.0014221600000000, -0.0011373000000000, -0.0013052300000000 ] - [ 0.0002237400000000, -0.0004308600000000, 0.0007784400000000 ] - [ 0.0008703500000000, -0.0002604100000000, -0.0002077100000000 ] - [ -0.0012552700000000, 0.0002285300000000, -0.0002639100000000 ] - [ 0.0004614400000000, -0.0004357700000000, -0.0002316900000000 ] - [ 0.0004776000000000, 0.0000645400000000, -0.0010599400000000 ] - [ -0.0002299300000000, 0.0000782300000000, 0.0013066500000000 ] - [ 0.0006585100000000, -0.0000990300000000, 0.0006211800000000 ] - [ 0.0006954400000000, 0.0006928100000000, 0.0010692200000000 ] - [ 0.0004136600000000, 0.0000733500000000, 0.0006383700000000 ] - [ 0.0003517300000000, -0.0010889400000000, -0.0005504200000000 ] - [ 0.0010331600000000, -0.0002534700000000, 0.0018929800000000 ] - [ 0.0028516000000000, 0.0035259700000000, -0.0097179700000000 ] - [ 0.0001668300000000, 0.0000546100000000, -0.0012938700000000 ] - [ 0.0006325100000000, -0.0000178200000000, 0.0006844800000000 ] - [ 0.0013269600000000, 0.0003331100000000, -0.0000518400000000 ] - [ 0.0007145500000000, 0.0002779800000000, -0.0001344000000000 ] - [ -0.0026446200000000, -0.0001177900000000, -0.0016448500000000 ] - [ -0.0015733600000000, -0.0000953400000000, 0.0009261800000000 ] - [ -0.0057556000000000, -0.0013310900000000, 0.0018300300000000 ] - [ -0.0156821200000000, 0.0069836700000000, 0.0042727400000000 ] - [ -0.0000552600000000, 0.0004740600000000, -0.0005929200000000 ] - [ 0.0005336800000000, 0.0009498800000000, -0.0016926000000000 ] - [ -0.0016787600000000, -0.0004371600000000, 0.0021061300000000 ] - [ 0.0012328700000000, -0.0000167000000000, -0.0015046600000000 ] - [ 0.0006814300000000, -0.0002346000000000, 0.0001457400000000 ] - [ -0.0002808900000000, 0.0001596600000000, 0.0002851300000000 ] - [ -0.0032079400000000, 0.0009333300000000, -0.0030491600000000 ] - [ 0.0013648500000000, 0.0010347800000000, -0.0005912900000000 ] - [ -0.0027771000000000, 0.0017972900000000, 0.0002652200000000 ] - [ 0.0022977900000000, 0.0009119800000000, -0.0023641800000000 ] - [ 0.0007487800000000, 0.0007492400000000, 0.0009362700000000 ] - [ -0.0004729500000000, -0.0007517500000000, -0.0001862800000000 ] - [ 0.0007558600000000, 0.0009147100000000, -0.0022670600000000 ] - [ -0.0013086000000000, -0.0006934200000000, 0.0011513800000000 ] - [ 0.0006684100000000, -0.0002375800000000, -0.0001804300000000 ] - [ 0.0006715800000000, -0.0007212000000000, 0.0008683300000000 ] - [ 0.0048049200000000, -0.0010190100000000, 0.0001566900000000 ] - [ 0.0224533500000000, 0.0172419700000000, -0.0067073100000000 ] - [ -0.0006044600000000, 0.0006386000000000, -0.0026039700000000 ] - [ 0.0032051400000000, -0.0005924400000000, 0.0014297200000000 ] - [ 0.0006790500000000, 0.0002242300000000, 0.0003958300000000 ] - [ 0.0046674200000000, -0.0010660900000000, 0.0099959500000000 ] - [ 0.0002848100000000, 0.0002100200000000, 0.0006550700000000 ] - [ -0.0029816100000000, -0.0009278300000000, -0.0004404400000000 ] - [ 0.0002363600000000, 0.0002278900000000, 0.0002823700000000 ] - [ 0.0000624600000000, 0.0002471900000000, -0.0003708200000000 ] - [ 0.0005733500000000, -0.0000014500000000, -0.0003554800000000 ] - [ 0.0002952100000000, -0.0001067500000000, 0.0000112800000000 ] - [ 0.0002518200000000, -0.0002842300000000, 0.0002971900000000 ] - [ 0.0009344400000000, -0.0001916700000000, -0.0000456000000000 ] - [ 0.0002002300000000, 0.0001081100000000, -0.0002663400000000 ] - [ 0.0008251900000000, -0.0007312700000000, -0.0003962600000000 ] - [ 0.0003859000000000, -0.0001185100000000, -0.0001508600000000 ] - [ 0.0007686300000000, -0.0000921900000000, 0.0000463500000000 ] - [ 0.0013694600000000, -0.0000336500000000, 0.0011457700000000 ] - [ 0.0006607800000000, 0.0002679400000000, -0.0004710300000000 ] - [ 0.0000725800000000, 0.0000814800000000, 0.0003689300000000 ] - [ 0.0008643300000000, -0.0004952800000000, 0.0004364600000000 ] - [ 0.0008695100000000, 0.0005099900000000, 0.0004088500000000 ] - [ 0.0005275100000000, 0.0000560700000000, -0.0002861600000000 ] - [ 0.0006421200000000, -0.0002847500000000, -0.0004405500000000 ] - [ 0.0008168900000000, 0.0001235600000000, -0.0000228500000000 ] - [ 0.0012252300000000, 0.0003995100000000, -0.0001474200000000 ] - [ 0.0010602900000000, -0.0000913200000000, -0.0001855800000000 ] - [ 0.0014306700000000, -0.0000101900000000, 0.0003222100000000 ] - [ 0.0000612200000000, -0.0002440100000000, -0.0003745300000000 ] - [ 0.0012342600000000, 0.0001925700000000, -0.0000284200000000 ] - [ 0.0005611600000000, -0.0003885700000000, -0.0003946700000000 ] - [ 0.0011167100000000, 0.0006356200000000, 0.0000124100000000 ] - [ 0.0008236400000000, -0.0001296000000000, 0.0000603900000000 ] - [ 0.0005294100000000, -0.0000522700000000, -0.0003002100000000 ] - [ 0.0007607200000000, 0.0001027000000000, 0.0000954500000000 ] - [ 0.0006528000000000, -0.0000524900000000, 0.0006938400000000 ] - [ 0.0011120900000000, -0.0003657400000000, -0.0001633900000000 ] - [ 0.0012269100000000, -0.0001989800000000, -0.0000214600000000 ] - [ 0.0010119900000000, 0.0007544700000000, -0.0003618700000000 ] - [ 0.0005643700000000, 0.0000059900000000, -0.0003539600000000 ] - [ 0.0011416500000000, 0.0003721300000000, -0.0001454000000000 ] - [ 0.0012268800000000, 0.0011773700000000, 0.0002919200000000 ] - [ 0.0004210500000000, -0.0002905700000000, -0.0000356400000000 ] - [ 0.0002133600000000, -0.0001139000000000, -0.0002542200000000 ] - [ 0.0008585300000000, 0.0002379100000000, -0.0004199400000000 ] - [ 0.0003826900000000, -0.0004238900000000, -0.0001706200000000 ] - [ 0.0000006700000000, -0.0005349700000000, 0.0011046500000000 ] - [ 0.0004412700000000, 0.0003019100000000, -0.0000265400000000 ] - [ 0.0014533100000000, 0.0000116600000000, 0.0003246000000000 ] - [ 0.0008608500000000, -0.0002409800000000, -0.0004187400000000 ] - [ 0.0011835100000000, -0.0006451100000000, 0.0000075200000000 ] - [ 0.0006412400000000, 0.0004867700000000, -0.0001608200000000 ] - [ 0.0002971000000000, 0.0001115400000000, 0.0000008500000000 ] - [ 0.0003902000000000, 0.0000510000000000, -0.0003035800000000 ] - [ 0.0005520100000000, 0.0003838600000000, -0.0003918500000000 ] - [ 0.0002335200000000, 0.0003786800000000, 0.0008507100000000 ]- atom: 50 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0027215000000000, 0.0003743600000000, -0.0000193000000000 ] - [ -0.0012898400000000, -0.0004314300000000, -0.0008342500000000 ] - [ -0.0037840100000000, -0.0011206400000000, -0.0010918000000000 ] - [ -0.0043070300000000, 0.0005279300000000, 0.0010162000000000 ] - [ 0.0005593900000000, 0.0001093900000000, -0.0002886300000000 ] - [ 0.0001139700000000, -0.0002261500000000, 0.0002435300000000 ] - [ 0.0005619600000000, -0.0001106800000000, -0.0002861900000000 ] - [ 0.0001184300000000, 0.0002255400000000, 0.0002422500000000 ] - [ -0.0149209800000000, -0.0008596800000000, -0.0048112700000000 ] - [ -0.0035504000000000, -0.0001808600000000, -0.0008020400000000 ] - [ -0.0010748600000000, 0.0002678400000000, -0.0002944900000000 ] - [ 0.0067530000000000, 0.0010597300000000, -0.0001138800000000 ] - [ 0.0019922600000000, 0.0002926400000000, -0.0002964800000000 ] - [ 0.0019529500000000, -0.0002841300000000, -0.0003012700000000 ] - [ 0.0017919200000000, 0.0001682000000000, 0.0001018000000000 ] - [ 0.0019115000000000, -0.0001399600000000, 0.0001244500000000 ] - [ -0.0014081300000000, -0.0000469700000000, 0.0025025300000000 ] - [ 0.0016372700000000, -0.0008820700000000, -0.0010328600000000 ] - [ 0.0018740800000000, 0.0007771200000000, 0.0024163900000000 ] - [ 0.0014234300000000, 0.0010188700000000, 0.0010550100000000 ] - [ -0.0064122900000000, -0.0009058300000000, -0.0001113800000000 ] - [ 0.0001087900000000, 0.0004583000000000, 0.0004906400000000 ] - [ 0.0017207500000000, -0.0052409200000000, 0.0052769700000000 ] - [ 0.0011444100000000, -0.0009017700000000, 0.0007010900000000 ] - [ -0.0957963600000000, -0.0733104100000000, 0.0468682700000000 ] - [ 0.0011645800000000, -0.0003217200000000, -0.0011848400000000 ] - [ 0.0013043400000000, 0.0004129200000000, 0.0000629800000000 ] - [ 0.0019264100000000, -0.0001632000000000, -0.0007894500000000 ] - [ -0.0021099700000000, 0.0002873800000000, -0.0041490600000000 ] - [ 0.0028612300000000, -0.0001660200000000, 0.0013145400000000 ] - [ 0.0006111000000000, 0.0002446000000000, -0.0032970400000000 ] - [ 0.0048047400000000, -0.0004170200000000, -0.0025919100000000 ] - [ 0.0013833100000000, 0.0000396300000000, 0.0000365600000000 ] - [ 0.0020035300000000, -0.0009356800000000, 0.0006465300000000 ] - [ 0.0020204000000000, 0.0009117000000000, 0.0005321800000000 ] - [ 0.0019095200000000, 0.0012330800000000, 0.0005077800000000 ] - [ 0.0027458500000000, 0.0002748600000000, -0.0002670800000000 ] - [ 0.0015514400000000, -0.0001081300000000, -0.0002813800000000 ] - [ 0.0016898300000000, 0.0003364500000000, 0.0001428500000000 ] - [ 0.0006041900000000, -0.0006833900000000, 0.0011502500000000 ] - [ 0.0027656300000000, -0.0002773300000000, -0.0002644600000000 ] - [ 0.0018398800000000, -0.0001351600000000, 0.0000836400000000 ] - [ 0.0013779200000000, 0.0002181200000000, -0.0006824900000000 ] - [ 0.0019692000000000, -0.0005140700000000, 0.0000856500000000 ] - [ 0.0016850800000000, -0.0003450100000000, 0.0001843700000000 ] - [ 0.0020253500000000, 0.0001957600000000, -0.0002016100000000 ] - [ 0.0013907100000000, -0.0000423900000000, 0.0000619700000000 ] - [ 0.0016575200000000, 0.0001472600000000, -0.0001696500000000 ] - [ -0.0002800000000000, -0.0013060300000000, 0.0023643600000000 ] - [ 0.1278303800000000, 0.1077897300000000, -0.0481863500000000 ] - [ 0.0010774300000000, 0.0008916200000000, 0.0012579800000000 ] - [ -0.0006972800000000, 0.0001573300000000, 0.0003687100000000 ] - [ -0.0005886000000000, 0.0006977000000000, 0.0006171400000000 ] - [ 0.0004143200000000, -0.0001713300000000, -0.0007071800000000 ] - [ -0.0005443800000000, -0.0000061400000000, 0.0001075800000000 ] - [ -0.0006053700000000, 0.0000565100000000, 0.0007381400000000 ] - [ 0.0007132500000000, -0.0000316300000000, -0.0009694300000000 ] - [ -0.0017089800000000, 0.0004708600000000, 0.0000850800000000 ] - [ -0.0007837800000000, -0.0005788700000000, -0.0020434500000000 ] - [ -0.0014671500000000, -0.0004454100000000, 0.0000682200000000 ] - [ 0.0003189100000000, -0.0002133900000000, 0.0013576500000000 ] - [ -0.0003606700000000, 0.0015579800000000, -0.0010831200000000 ] - [ -0.0028086200000000, -0.0034086500000000, 0.0092307400000000 ] - [ -0.0002517400000000, -0.0001755400000000, 0.0003164300000000 ] - [ -0.0003012800000000, -0.0003448000000000, -0.0006741100000000 ] - [ -0.0010396300000000, -0.0007694800000000, 0.0004622500000000 ] - [ -0.0004511700000000, 0.0005232000000000, 0.0000188500000000 ] - [ 0.0028460300000000, 0.0000691100000000, 0.0015099000000000 ] - [ 0.0005379600000000, -0.0001781200000000, -0.0016090300000000 ] - [ 0.0060012200000000, 0.0016029700000000, -0.0025186900000000 ] - [ 0.0150103700000000, -0.0068980000000000, -0.0048581100000000 ] - [ 0.0003784200000000, 0.0001879000000000, -0.0000051100000000 ] - [ -0.0002007600000000, -0.0005792700000000, 0.0016860100000000 ] - [ 0.0017275300000000, 0.0003477900000000, -0.0025266300000000 ] - [ -0.0007456000000000, -0.0000277300000000, 0.0018476400000000 ] - [ -0.0006142400000000, -0.0007794100000000, 0.0005770900000000 ] - [ 0.0008954800000000, -0.0003340000000000, -0.0007168300000000 ] - [ 0.0034594200000000, -0.0012095800000000, 0.0023250100000000 ] - [ -0.0014388600000000, -0.0005877400000000, 0.0004636800000000 ] - [ 0.0021948500000000, -0.0008546000000000, -0.0005862600000000 ] - [ -0.0016597200000000, -0.0007194800000000, 0.0018952900000000 ] - [ -0.0011106800000000, -0.0000486300000000, 0.0005919000000000 ] - [ 0.0000712700000000, -0.0001698300000000, 0.0004625800000000 ] - [ -0.0015851000000000, -0.0009822200000000, 0.0013086900000000 ] - [ 0.0016984100000000, 0.0006056900000000, -0.0016601800000000 ] - [ -0.0004052700000000, -0.0005633900000000, 0.0000644500000000 ] - [ -0.0010342000000000, 0.0000203500000000, 0.0006587900000000 ] - [ -0.0051242000000000, 0.0019174500000000, 0.0001251500000000 ] - [ -0.0228478800000000, -0.0175958700000000, 0.0066425000000000 ] - [ 0.0009966300000000, -0.0005602400000000, 0.0020827200000000 ] - [ -0.0028472200000000, -0.0000715200000000, -0.0020031800000000 ] - [ -0.0006118800000000, 0.0007897000000000, 0.0003291300000000 ] - [ -0.0049956000000000, 0.0013059500000000, -0.0099314400000000 ] - [ -0.0004151800000000, -0.0003279400000000, -0.0009574600000000 ] - [ 0.0022892500000000, 0.0009541200000000, -0.0001141700000000 ] - [ -0.0007097200000000, 0.0000431000000000, 0.0008592500000000 ] - [ -0.0011030100000000, 0.0000245000000000, -0.0003225600000000 ] - [ -0.0011387300000000, -0.0009332000000000, 0.0000324800000000 ] - [ -0.0006242100000000, -0.0001291300000000, -0.0000529300000000 ] - [ -0.0007249000000000, 0.0000117900000000, 0.0008472600000000 ] - [ -0.0006504600000000, 0.0006283800000000, 0.0004559600000000 ] - [ -0.0010396700000000, -0.0000533400000000, -0.0007082200000000 ] - [ -0.0009033500000000, 0.0002860400000000, 0.0002708000000000 ] - [ -0.0005148000000000, 0.0002385400000000, -0.0001627500000000 ] - [ -0.0002864600000000, 0.0001389000000000, 0.0002915300000000 ] - [ -0.0024252800000000, 0.0004052200000000, -0.0004414800000000 ] - [ -0.0007508100000000, -0.0001496700000000, -0.0005029800000000 ] - [ -0.0011240700000000, -0.0004531000000000, 0.0003368400000000 ] - [ -0.0001957900000000, -0.0008068300000000, 0.0003752000000000 ] - [ -0.0002007800000000, 0.0007922000000000, 0.0004021200000000 ] - [ -0.0004623000000000, 0.0000300200000000, -0.0001457400000000 ] - [ -0.0007321400000000, 0.0001659200000000, -0.0005328300000000 ] - [ -0.0004794100000000, -0.0004818200000000, 0.0000316900000000 ] - [ -0.0009408300000000, -0.0008359800000000, 0.0005584000000000 ] - [ -0.0007982200000000, 0.0008948600000000, 0.0000713100000000 ] - [ -0.0012123400000000, -0.0000376800000000, -0.0004443900000000 ] - [ -0.0011018300000000, -0.0000278700000000, -0.0003193900000000 ] - [ -0.0009502100000000, 0.0000924200000000, -0.0006777500000000 ] - [ -0.0012344800000000, 0.0003561800000000, -0.0001565000000000 ] - [ -0.0007833800000000, 0.0000283600000000, -0.0006048800000000 ] - [ -0.0004865500000000, 0.0004883000000000, -0.0000510200000000 ] - [ -0.0004644000000000, -0.0000337900000000, -0.0001310300000000 ] - [ -0.0002784500000000, -0.0001492900000000, 0.0002430800000000 ] - [ -0.0005860100000000, -0.0009621700000000, 0.0000292600000000 ] - [ -0.0004863200000000, 0.0001873800000000, -0.0002692200000000 ] - [ -0.0009433000000000, -0.0000862300000000, -0.0006846900000000 ] - [ -0.0010905500000000, -0.0003103000000000, 0.0002366700000000 ] - [ -0.0011297100000000, 0.0009283600000000, 0.0000310200000000 ] - [ -0.0005159700000000, -0.0001939300000000, -0.0002873600000000 ] - [ -0.0015856500000000, -0.0004801100000000, 0.0012409400000000 ] - [ -0.0008154200000000, -0.0006274800000000, 0.0003137200000000 ] - [ -0.0010528100000000, 0.0000591100000000, -0.0007202300000000 ] - [ -0.0004692600000000, -0.0003237600000000, -0.0001048300000000 ] - [ -0.0001189000000000, -0.0003769900000000, 0.0000538400000000 ] - [ -0.0003635400000000, -0.0001654300000000, 0.0004221700000000 ] - [ -0.0008359900000000, 0.0006159200000000, 0.0003046500000000 ] - [ -0.0012340400000000, 0.0000366300000000, -0.0004473600000000 ] - [ -0.0004715600000000, 0.0003264700000000, -0.0001061900000000 ] - [ -0.0008497600000000, -0.0000194000000000, -0.0005992600000000 ] - [ -0.0005730500000000, 0.0005255400000000, 0.0008857600000000 ] - [ -0.0006268000000000, 0.0001247100000000, -0.0000427000000000 ] - [ -0.0005188200000000, -0.0001709500000000, -0.0000094300000000 ] - [ -0.0012253000000000, -0.0003517600000000, -0.0001593300000000 ] - [ -0.0007072600000000, -0.0001067900000000, 0.0002925600000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012991600000000, -0.0003253800000000, -0.0005715000000000 ] - [ 0.0001399300000000, 0.0000507500000000, 0.0007988400000000 ] - [ 0.0015973500000000, 0.0016040700000000, -0.0014543900000000 ] - [ 0.0007117200000000, 0.0001022800000000, -0.0000859000000000 ] - [ -0.0003300900000000, 0.0001236900000000, -0.0003040900000000 ] - [ -0.0005935600000000, -0.0002775300000000, 0.0001233500000000 ] - [ -0.0003310000000000, -0.0001229100000000, -0.0003056000000000 ] - [ -0.0005952200000000, 0.0002773700000000, 0.0001245000000000 ] - [ 0.0099165300000000, -0.0000208200000000, 0.0035025000000000 ] - [ 0.0020737500000000, -0.0001780500000000, 0.0005851200000000 ] - [ 0.0005288000000000, 0.0002472400000000, 0.0004254300000000 ] - [ -0.0043115000000000, -0.0013028900000000, 0.0001156900000000 ] - [ -0.0009233400000000, 0.0000742400000000, -0.0003802500000000 ] - [ -0.0009004900000000, -0.0000797100000000, -0.0003748100000000 ] - [ -0.0011285500000000, 0.0003035700000000, 0.0000940200000000 ] - [ -0.0011859700000000, -0.0003131000000000, 0.0000964200000000 ] - [ 0.0010689900000000, 0.0003193600000000, -0.0016694900000000 ] - [ 0.0000731200000000, -0.0007105100000000, 0.0012714800000000 ] - [ 0.0002969800000000, 0.0011960100000000, -0.0006456800000000 ] - [ -0.0012504900000000, 0.0002892200000000, 0.0007182800000000 ] - [ 0.0042993400000000, 0.0003544000000000, 0.0002572900000000 ] - [ -0.0000176700000000, -0.0003564400000000, -0.0002377100000000 ] - [ 0.0016119900000000, 0.0061258800000000, -0.0002188000000000 ] - [ -0.0010806600000000, -0.0003936800000000, 0.0008839400000000 ] - [ 0.0847465100000000, 0.1320439500000000, -0.0691965600000000 ] - [ -0.0002640500000000, -0.0001427000000000, 0.0008499600000000 ] - [ -0.0006551100000000, 0.0002937600000000, -0.0000735300000000 ] - [ -0.0009545100000000, -0.0004001000000000, 0.0003184500000000 ] - [ 0.0021941700000000, 0.0003761400000000, 0.0020180600000000 ] - [ -0.0012961500000000, 0.0009061000000000, -0.0006101500000000 ] - [ 0.0001571400000000, -0.0040195500000000, 0.0004043300000000 ] - [ -0.0016614600000000, -0.0002505000000000, 0.0001732800000000 ] - [ -0.0007759600000000, -0.0001000800000000, -0.0000946300000000 ] - [ -0.0001289400000000, -0.0007388500000000, 0.0002842300000000 ] - [ -0.0001289500000000, 0.0007489800000000, 0.0003484300000000 ] - [ -0.0015438400000000, 0.0001829900000000, 0.0009803300000000 ] - [ -0.0008628100000000, -0.0001899900000000, -0.0001101500000000 ] - [ -0.0007678900000000, 0.0001917000000000, -0.0002012800000000 ] - [ -0.0006180200000000, -0.0003096100000000, -0.0002348600000000 ] - [ -0.0007488800000000, -0.0005383000000000, 0.0006660600000000 ] - [ -0.0008747800000000, 0.0001917100000000, -0.0001095000000000 ] - [ -0.0004651500000000, -0.0002630600000000, 0.0002473300000000 ] - [ -0.0007020700000000, 0.0004184500000000, 0.0003663900000000 ] - [ -0.0010217900000000, -0.0002478500000000, -0.0000956800000000 ] - [ -0.0006122900000000, 0.0003132700000000, -0.0002568500000000 ] - [ -0.0005819700000000, 0.0002272200000000, 0.0004042000000000 ] - [ -0.0007832200000000, 0.0001004600000000, -0.0001069300000000 ] - [ -0.0008206800000000, -0.0002103900000000, -0.0002726100000000 ] - [ 0.0010376800000000, 0.0031290700000000, -0.0034795800000000 ] - [ -0.1052910500000000, -0.1754544500000000, 0.0727315800000000 ] - [ -0.0010845600000000, -0.0012930500000000, -0.0008858000000000 ] - [ 0.0000123000000000, -0.0003044000000000, 0.0006918900000000 ] - [ 0.0005619800000000, -0.0000565400000000, -0.0000143200000000 ] - [ -0.0009840900000000, -0.0000060200000000, -0.0004852200000000 ] - [ 0.0002239800000000, -0.0003240300000000, -0.0001663600000000 ] - [ 0.0002254200000000, 0.0000399700000000, -0.0005102700000000 ] - [ -0.0001111600000000, 0.0000650800000000, 0.0008031500000000 ] - [ 0.0000779300000000, 0.0000349600000000, 0.0004928000000000 ] - [ -0.0000536800000000, 0.0003917700000000, 0.0002703700000000 ] - [ -0.0000066600000000, -0.0000407900000000, 0.0005130200000000 ] - [ 0.0003078600000000, -0.0008949600000000, -0.0001950800000000 ] - [ 0.0010347500000000, -0.0002630800000000, 0.0015943400000000 ] - [ 0.0033233000000000, 0.0008343900000000, -0.0074750800000000 ] - [ 0.0001264700000000, 0.0000155100000000, -0.0009621300000000 ] - [ 0.0002600400000000, -0.0003962600000000, 0.0000631700000000 ] - [ 0.0009470600000000, 0.0000871400000000, 0.0000062000000000 ] - [ 0.0004592200000000, 0.0003373200000000, -0.0001057400000000 ] - [ -0.0014466700000000, -0.0000172800000000, -0.0010558400000000 ] - [ -0.0009109600000000, 0.0002640200000000, 0.0004725200000000 ] - [ -0.0050265300000000, 0.0019864900000000, -0.0026254600000000 ] - [ -0.0048717100000000, 0.0361904600000000, -0.0023872600000000 ] - [ 0.0001954200000000, 0.0005028100000000, -0.0005460200000000 ] - [ 0.0005817600000000, 0.0003659400000000, -0.0005391800000000 ] - [ -0.0008773200000000, -0.0006038000000000, 0.0005306900000000 ] - [ 0.0007873000000000, 0.0000139900000000, -0.0007889900000000 ] - [ 0.0003815000000000, -0.0003589600000000, 0.0002636400000000 ] - [ -0.0001245500000000, 0.0001026500000000, -0.0001670100000000 ] - [ -0.0020093600000000, 0.0008486900000000, -0.0022248200000000 ] - [ 0.0005718500000000, 0.0005535700000000, -0.0002900700000000 ] - [ -0.0016174400000000, 0.0011715100000000, -0.0000362600000000 ] - [ 0.0005571400000000, 0.0022208900000000, -0.0018254200000000 ] - [ 0.0003317600000000, 0.0005717600000000, 0.0008561500000000 ] - [ -0.0001799100000000, -0.0005519000000000, -0.0004979700000000 ] - [ 0.0007092300000000, 0.0024898600000000, -0.0010928500000000 ] - [ -0.0008804000000000, -0.0007511800000000, 0.0001609600000000 ] - [ 0.0004234600000000, -0.0003151600000000, -0.0001191800000000 ] - [ 0.0002849600000000, -0.0005518100000000, 0.0008247400000000 ] - [ 0.0009992000000000, -0.0007880900000000, 0.0003626800000000 ] - [ 0.0089409900000000, -0.0006230600000000, 0.0009833300000000 ] - [ -0.0028671800000000, -0.0003168300000000, 0.0016440400000000 ] - [ 0.0032307200000000, -0.0003881300000000, 0.0014646500000000 ] - [ 0.0003898700000000, 0.0003570800000000, 0.0003807000000000 ] - [ 0.0036690700000000, -0.0041450400000000, 0.0056121800000000 ] - [ 0.0001574800000000, 0.0000712400000000, 0.0004659500000000 ] - [ -0.0018273500000000, -0.0004392500000000, -0.0006261400000000 ] - [ 0.0000292600000000, 0.0002018600000000, 0.0004579300000000 ] - [ -0.0002027000000000, 0.0001965700000000, -0.0003599600000000 ] - [ 0.0001832200000000, -0.0002137600000000, -0.0002671200000000 ] - [ 0.0000856500000000, -0.0001116900000000, -0.0000032800000000 ] - [ 0.0000353200000000, -0.0002146800000000, 0.0004095800000000 ] - [ 0.0005666600000000, 0.0000010500000000, 0.0000687300000000 ] - [ -0.0000819400000000, 0.0000718400000000, -0.0003663300000000 ] - [ 0.0004335700000000, -0.0005032900000000, -0.0002510500000000 ] - [ 0.0001790900000000, -0.0000368600000000, -0.0001522500000000 ] - [ 0.0005268600000000, -0.0000401400000000, 0.0001046600000000 ] - [ 0.0005029800000000, 0.0000600500000000, 0.0007955900000000 ] - [ 0.0003356500000000, 0.0001734200000000, -0.0004779500000000 ] - [ -0.0002098900000000, -0.0000373200000000, 0.0003443500000000 ] - [ 0.0006237000000000, -0.0005658900000000, 0.0004235900000000 ] - [ 0.0006250800000000, 0.0005740400000000, 0.0004055400000000 ] - [ 0.0003019300000000, 0.0000503100000000, -0.0002543400000000 ] - [ 0.0003306200000000, -0.0001820900000000, -0.0004614300000000 ] - [ 0.0005229900000000, -0.0000144000000000, -0.0000132400000000 ] - [ 0.0007426400000000, 0.0001268300000000, 0.0000131100000000 ] - [ 0.0006487000000000, 0.0001517600000000, -0.0001085500000000 ] - [ 0.0008299800000000, -0.0000165300000000, 0.0001480900000000 ] - [ -0.0002042200000000, -0.0001947600000000, -0.0003615600000000 ] - [ 0.0007378000000000, 0.0001700400000000, -0.0001757800000000 ] - [ 0.0001521800000000, -0.0002187300000000, -0.0003403600000000 ] - [ 0.0006811900000000, 0.0004957800000000, -0.0001301000000000 ] - [ 0.0005244800000000, 0.0000114600000000, 0.0000369400000000 ] - [ 0.0003035900000000, -0.0000478100000000, -0.0002626600000000 ] - [ 0.0005254800000000, 0.0000456300000000, 0.0001277400000000 ] - [ 0.0003640200000000, -0.0002740300000000, 0.0005567500000000 ] - [ 0.0007489700000000, -0.0002401300000000, -0.0001884200000000 ] - [ 0.0007326100000000, -0.0001734300000000, -0.0001721800000000 ] - [ 0.0005270100000000, 0.0005069400000000, -0.0002182500000000 ] - [ 0.0001784100000000, 0.0002163600000000, -0.0002662300000000 ] - [ 0.0007635900000000, 0.0002429100000000, -0.0001769400000000 ] - [ 0.0006756500000000, 0.0007891200000000, 0.0004888900000000 ] - [ 0.0001402300000000, -0.0003663700000000, 0.0000426500000000 ] - [ -0.0000744200000000, -0.0000740800000000, -0.0003614200000000 ] - [ 0.0005557300000000, 0.0001099600000000, -0.0003479000000000 ] - [ 0.0002582600000000, -0.0004182900000000, -0.0001325000000000 ] - [ -0.0001248000000000, -0.0004500400000000, 0.0009554600000000 ] - [ 0.0001497900000000, 0.0003742600000000, 0.0000506300000000 ] - [ 0.0008408900000000, 0.0000175000000000, 0.0001484500000000 ] - [ 0.0005578800000000, -0.0001117000000000, -0.0003480600000000 ] - [ 0.0007246700000000, -0.0005042200000000, -0.0001284700000000 ] - [ 0.0003788600000000, 0.0004944900000000, 0.0000685400000000 ] - [ 0.0000870700000000, 0.0001146100000000, -0.0000085100000000 ] - [ 0.0001850300000000, 0.0000005900000000, -0.0002381200000000 ] - [ 0.0001472200000000, 0.0002163800000000, -0.0003387700000000 ] - [ 0.0000159200000000, 0.0002635600000000, 0.0007308600000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013157400000000, 0.0005632700000000, -0.0000252400000000 ] - [ -0.0008217200000000, -0.0005671900000000, -0.0004586000000000 ] - [ -0.0015993000000000, -0.0018818300000000, 0.0007828000000000 ] - [ -0.0014777400000000, 0.0004803000000000, 0.0003583600000000 ] - [ 0.0002978300000000, 0.0001134800000000, -0.0002932800000000 ] - [ -0.0000943200000000, -0.0002409800000000, 0.0002085700000000 ] - [ 0.0002986000000000, -0.0001142500000000, -0.0002919800000000 ] - [ -0.0000927100000000, 0.0002409800000000, 0.0002074000000000 ] - [ -0.0091453800000000, 0.0007829800000000, -0.0041639900000000 ] - [ -0.0018307300000000, -0.0001258600000000, -0.0012729800000000 ] - [ -0.0007135900000000, 0.0002619400000000, -0.0002200500000000 ] - [ 0.0041038100000000, 0.0007989200000000, 0.0000739500000000 ] - [ 0.0011344300000000, 0.0002287000000000, -0.0003200400000000 ] - [ 0.0011117200000000, -0.0002228700000000, -0.0003254200000000 ] - [ 0.0009334800000000, 0.0002061200000000, 0.0001058100000000 ] - [ 0.0009903100000000, -0.0001965800000000, 0.0001038300000000 ] - [ -0.0010971500000000, -0.0004284000000000, 0.0015647500000000 ] - [ 0.0011760500000000, -0.0009037400000000, -0.0004395600000000 ] - [ 0.0009567100000000, 0.0004174900000000, 0.0014681500000000 ] - [ 0.0006703700000000, 0.0008576200000000, 0.0009461500000000 ] - [ -0.0034305300000000, -0.0003968900000000, -0.0005828600000000 ] - [ 0.0001301900000000, 0.0005218600000000, -0.0002241600000000 ] - [ -0.0011748500000000, -0.0063206100000000, 0.0000355900000000 ] - [ 0.0005033800000000, -0.0007548100000000, 0.0007816900000000 ] - [ -0.0883745800000000, -0.1371914200000000, 0.0728670800000000 ] - [ 0.0009541000000000, -0.0002941000000000, -0.0004661700000000 ] - [ 0.0007185800000000, 0.0003965500000000, 0.0000275500000000 ] - [ 0.0010149300000000, -0.0002905400000000, -0.0003590100000000 ] - [ -0.0017419200000000, -0.0002068900000000, -0.0022310800000000 ] - [ 0.0019733500000000, -0.0004552300000000, 0.0009760100000000 ] - [ -0.0002047100000000, 0.0041212800000000, -0.0005209000000000 ] - [ 0.0017624400000000, 0.0000597100000000, -0.0006453000000000 ] - [ 0.0007457500000000, -0.0000010000000000, -0.0000022200000000 ] - [ 0.0013813700000000, -0.0008767100000000, 0.0005422100000000 ] - [ 0.0013813200000000, 0.0008668900000000, 0.0004788000000000 ] - [ 0.0009628100000000, 0.0009638900000000, 0.0006846100000000 ] - [ 0.0016799800000000, 0.0001385400000000, -0.0002196700000000 ] - [ 0.0008694700000000, -0.0000217100000000, -0.0002651500000000 ] - [ 0.0010110200000000, 0.0001472400000000, 0.0000320000000000 ] - [ 0.0001732600000000, -0.0006111100000000, 0.0009997300000000 ] - [ 0.0016917300000000, -0.0001399500000000, -0.0002201200000000 ] - [ 0.0011531300000000, -0.0001747800000000, 0.0001316400000000 ] - [ 0.0007635100000000, 0.0002734400000000, -0.0004073300000000 ] - [ 0.0010822800000000, -0.0004424000000000, 0.0000514600000000 ] - [ 0.0010056800000000, -0.0001507500000000, 0.0000542800000000 ] - [ 0.0012688200000000, 0.0002107500000000, -0.0000248100000000 ] - [ 0.0007526300000000, 0.0000009400000000, 0.0000097600000000 ] - [ 0.0009222800000000, 0.0000407400000000, -0.0001945500000000 ] - [ -0.0020626500000000, -0.0028268700000000, 0.0027776000000000 ] - [ 0.1088822100000000, 0.1795451300000000, -0.0769235200000000 ] - [ 0.0007402300000000, 0.0010401300000000, 0.0008349700000000 ] - [ -0.0004848400000000, 0.0000300100000000, 0.0004564800000000 ] - [ -0.0002807000000000, 0.0004949400000000, 0.0004263100000000 ] - [ 0.0001379300000000, 0.0000620000000000, -0.0004890600000000 ] - [ -0.0003039100000000, -0.0001193800000000, 0.0000404500000000 ] - [ -0.0003534400000000, 0.0000820700000000, 0.0001929100000000 ] - [ 0.0005892400000000, -0.0000160000000000, -0.0004635100000000 ] - [ -0.0011300100000000, 0.0003394400000000, 0.0002128300000000 ] - [ -0.0000382300000000, -0.0002709700000000, -0.0012366200000000 ] - [ -0.0010459700000000, -0.0003328100000000, 0.0001934100000000 ] - [ 0.0003590100000000, -0.0004100700000000, 0.0010014500000000 ] - [ -0.0003720300000000, 0.0015686400000000, -0.0007827000000000 ] - [ -0.0032502400000000, -0.0007894600000000, 0.0069934800000000 ] - [ -0.0002163800000000, -0.0001336800000000, -0.0000154100000000 ] - [ 0.0000692900000000, 0.0000360600000000, -0.0000555400000000 ] - [ -0.0006577200000000, -0.0005237500000000, 0.0004043000000000 ] - [ -0.0001947900000000, 0.0004642900000000, -0.0000076600000000 ] - [ 0.0016449700000000, -0.0000301900000000, 0.0009222400000000 ] - [ -0.0001362600000000, -0.0005274400000000, -0.0011640800000000 ] - [ 0.0052768400000000, -0.0016699600000000, 0.0019526100000000 ] - [ 0.0040049500000000, -0.0366269900000000, 0.0019189600000000 ] - [ 0.0001342300000000, 0.0001641500000000, -0.0000503000000000 ] - [ -0.0002440800000000, -0.0000034500000000, 0.0005459600000000 ] - [ 0.0009324000000000, 0.0005197800000000, -0.0009551400000000 ] - [ -0.0003031300000000, -0.0000605400000000, 0.0011229100000000 ] - [ -0.0003139400000000, -0.0006553000000000, 0.0004591100000000 ] - [ 0.0007408200000000, -0.0002781600000000, -0.0002652900000000 ] - [ 0.0022631500000000, -0.0011208300000000, 0.0014972100000000 ] - [ -0.0006489000000000, -0.0001081200000000, 0.0001631800000000 ] - [ 0.0010345500000000, -0.0002278900000000, -0.0002850400000000 ] - [ 0.0000704300000000, -0.0020009100000000, 0.0013688600000000 ] - [ -0.0006938900000000, 0.0001289700000000, 0.0006690500000000 ] - [ -0.0002177300000000, -0.0003679900000000, 0.0007646000000000 ] - [ -0.0015729700000000, -0.0025553300000000, 0.0001366100000000 ] - [ 0.0012685000000000, 0.0006642300000000, -0.0006697000000000 ] - [ -0.0001595100000000, -0.0004859400000000, 0.0000059300000000 ] - [ -0.0006478100000000, -0.0001484700000000, 0.0006998800000000 ] - [ -0.0014142200000000, 0.0016910600000000, -0.0000821600000000 ] - [ -0.0087176900000000, 0.0007758100000000, -0.0011189900000000 ] - [ 0.0032660800000000, 0.0004032100000000, -0.0021865200000000 ] - [ -0.0028473500000000, -0.0002735800000000, -0.0020259000000000 ] - [ -0.0003220000000000, 0.0006577400000000, 0.0003428900000000 ] - [ -0.0040569700000000, 0.0043189900000000, -0.0056920000000000 ] - [ -0.0002854900000000, -0.0001907100000000, -0.0007698700000000 ] - [ 0.0011359600000000, 0.0004654700000000, 0.0000724500000000 ] - [ -0.0005018800000000, 0.0000710700000000, 0.0006872600000000 ] - [ -0.0008384000000000, 0.0000738900000000, -0.0003340800000000 ] - [ -0.0007484100000000, -0.0007209900000000, -0.0000551700000000 ] - [ -0.0004133600000000, -0.0001230500000000, -0.0000394000000000 ] - [ -0.0005076700000000, -0.0000584400000000, 0.0007357100000000 ] - [ -0.0002847000000000, 0.0004374700000000, 0.0003434500000000 ] - [ -0.0007584000000000, -0.0000175300000000, -0.0006069800000000 ] - [ -0.0005102800000000, 0.0000574000000000, 0.0001241900000000 ] - [ -0.0003075400000000, 0.0001581100000000, -0.0001627900000000 ] - [ -0.0000463800000000, 0.0000885300000000, 0.0002325700000000 ] - [ -0.0015530000000000, 0.0003146100000000, -0.0000875600000000 ] - [ -0.0004273700000000, -0.0000554000000000, -0.0004947600000000 ] - [ -0.0008432100000000, -0.0003362600000000, 0.0003603300000000 ] - [ 0.0000437400000000, -0.0007369500000000, 0.0003885800000000 ] - [ 0.0000424800000000, 0.0007293700000000, 0.0004059900000000 ] - [ -0.0002341200000000, 0.0000366500000000, -0.0001771100000000 ] - [ -0.0004220500000000, 0.0000642000000000, -0.0005108700000000 ] - [ -0.0001852000000000, -0.0003430100000000, 0.0000226700000000 ] - [ -0.0004592500000000, -0.0005639000000000, 0.0003991800000000 ] - [ -0.0003840100000000, 0.0006491800000000, -0.0000037100000000 ] - [ -0.0006116800000000, -0.0000299000000000, -0.0002684800000000 ] - [ -0.0008369700000000, -0.0000752100000000, -0.0003330200000000 ] - [ -0.0004516000000000, 0.0001155200000000, -0.0005299700000000 ] - [ -0.0008236900000000, 0.0001866100000000, -0.0002095200000000 ] - [ -0.0003466700000000, 0.0001701700000000, -0.0004616100000000 ] - [ -0.0001869500000000, 0.0003468800000000, -0.0000266100000000 ] - [ -0.0002359600000000, -0.0000384800000000, -0.0001683500000000 ] - [ -0.0000448000000000, -0.0000934000000000, 0.0002097800000000 ] - [ -0.0002973800000000, -0.0007404700000000, 0.0001667400000000 ] - [ -0.0001223600000000, 0.0000615000000000, -0.0002418300000000 ] - [ -0.0004468700000000, -0.0001118400000000, -0.0005334900000000 ] - [ -0.0006031400000000, -0.0000610400000000, 0.0000914400000000 ] - [ -0.0007436100000000, 0.0007186600000000, -0.0000560100000000 ] - [ -0.0001368700000000, -0.0000638800000000, -0.0002533800000000 ] - [ -0.0010357500000000, -0.0000873600000000, 0.0010359900000000 ] - [ -0.0005348000000000, -0.0005511000000000, 0.0002333200000000 ] - [ -0.0007659300000000, 0.0000203800000000, -0.0006118600000000 ] - [ -0.0001667800000000, -0.0001958600000000, -0.0001767500000000 ] - [ 0.0000051000000000, -0.0003831400000000, 0.0000183700000000 ] - [ -0.0002407400000000, -0.0002490800000000, 0.0005689400000000 ] - [ -0.0005445800000000, 0.0005436000000000, 0.0002253100000000 ] - [ -0.0006217900000000, 0.0000298900000000, -0.0002693900000000 ] - [ -0.0001690300000000, 0.0001978700000000, -0.0001770200000000 ] - [ -0.0003896000000000, -0.0001616500000000, -0.0004626500000000 ] - [ -0.0003106500000000, 0.0005203400000000, 0.0006536300000000 ] - [ -0.0004154600000000, 0.0001210200000000, -0.0000344700000000 ] - [ -0.0003132700000000, -0.0001215100000000, -0.0000770800000000 ] - [ -0.0008188200000000, -0.0001839700000000, -0.0002111300000000 ] - [ -0.0004886600000000, 0.0000101400000000, 0.0004162200000000 ]- atom: 50 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0007857400000000, 0.0000612800000000, -0.0014582900000000 ] - [ -0.0004685600000000, -0.0003837000000000, -0.0011522700000000 ] - [ 0.0007246300000000, -0.0026506100000000, -0.0026034400000000 ] - [ -0.0024222400000000, 0.0015873700000000, 0.0019204600000000 ] - [ 0.0001259100000000, 0.0001164500000000, -0.0002979900000000 ] - [ -0.0002336000000000, -0.0002516700000000, 0.0001809200000000 ] - [ 0.0001246100000000, -0.0001164400000000, -0.0002945400000000 ] - [ -0.0002278800000000, 0.0002505700000000, 0.0001883900000000 ] - [ 0.0038563200000000, 0.0058187800000000, 0.0085842200000000 ] - [ -0.0003029300000000, -0.0000530900000000, -0.0033924100000000 ] - [ -0.0007545200000000, 0.0001145400000000, -0.0012337000000000 ] - [ 0.0015405600000000, -0.0008326700000000, 0.0015518800000000 ] - [ 0.0005712700000000, 0.0001908300000000, -0.0003186700000000 ] - [ 0.0005550100000000, -0.0001801100000000, -0.0003545100000000 ] - [ 0.0003559400000000, 0.0002458700000000, 0.0000458200000000 ] - [ 0.0004066000000000, -0.0002146800000000, 0.0001600200000000 ] - [ -0.0033400100000000, -0.0011116400000000, -0.0004272700000000 ] - [ 0.0017464600000000, -0.0009891300000000, -0.0002135900000000 ] - [ 0.0000376000000000, 0.0005645700000000, 0.0009997400000000 ] - [ 0.0000044200000000, 0.0006270600000000, 0.0010005500000000 ] - [ -0.0014306400000000, 0.0000017400000000, -0.0029696200000000 ] - [ 0.0000236300000000, 0.0003672600000000, -0.0019982100000000 ] - [ -0.0030422100000000, 0.0019570800000000, -0.0018219700000000 ] - [ 0.0001865900000000, -0.0007150100000000, 0.0006869400000000 ] - [ -0.0636017700000000, -0.0836124600000000, 0.0849708000000000 ] - [ 0.0010519300000000, -0.0003032400000000, -0.0005483800000000 ] - [ 0.0001448300000000, 0.0003889900000000, -0.0001492800000000 ] - [ 0.0006781700000000, -0.0002895900000000, -0.0000741500000000 ] - [ 0.0004549400000000, -0.0005594000000000, -0.0030284400000000 ] - [ 0.0003004700000000, -0.0000027300000000, 0.0009332500000000 ] - [ 0.0037202900000000, 0.0003759000000000, -0.0001120300000000 ] - [ 0.0019854300000000, 0.0002393300000000, 0.0007152700000000 ] - [ 0.0003425700000000, -0.0000275200000000, -0.0000297600000000 ] - [ 0.0009181400000000, -0.0008430600000000, 0.0004439600000000 ] - [ 0.0010161200000000, 0.0008300500000000, 0.0004690200000000 ] - [ 0.0005591800000000, 0.0009683500000000, 0.0011055800000000 ] - [ 0.0009820600000000, 0.0000461800000000, -0.0002012400000000 ] - [ 0.0004548500000000, 0.0000199800000000, -0.0002938800000000 ] - [ 0.0005756100000000, 0.0000215000000000, -0.0000337600000000 ] - [ -0.0002854700000000, -0.0004266200000000, 0.0006159700000000 ] - [ 0.0009874500000000, -0.0000495100000000, -0.0001813500000000 ] - [ 0.0006448400000000, -0.0001994500000000, 0.0001338500000000 ] - [ 0.0004701800000000, 0.0002774800000000, -0.0003724600000000 ] - [ 0.0003415200000000, -0.0003533600000000, 0.0001404700000000 ] - [ 0.0005465900000000, -0.0000230800000000, -0.0000394100000000 ] - [ 0.0008305700000000, 0.0002186200000000, 0.0001117900000000 ] - [ 0.0003179700000000, 0.0000287500000000, -0.0000188500000000 ] - [ 0.0004018000000000, -0.0000534500000000, -0.0001708900000000 ] - [ -0.0024359000000000, -0.0026638300000000, 0.0033355400000000 ] - [ 0.0494200500000000, 0.0769311000000000, -0.0870294000000000 ] - [ -0.0000459700000000, 0.0006859000000000, 0.0014060400000000 ] - [ -0.0002604900000000, -0.0001191900000000, 0.0005657400000000 ] - [ -0.0002166400000000, 0.0004593000000000, 0.0004862200000000 ] - [ 0.0002789400000000, 0.0006464100000000, 0.0007259700000000 ] - [ -0.0000272300000000, -0.0002701400000000, 0.0001270800000000 ] - [ -0.0003578100000000, 0.0000518700000000, 0.0000855200000000 ] - [ 0.0008102600000000, -0.0001827800000000, -0.0000334400000000 ] - [ -0.0009016100000000, 0.0002993700000000, 0.0002251500000000 ] - [ 0.0003824500000000, -0.0000095800000000, -0.0012374400000000 ] - [ -0.0006738100000000, -0.0002082000000000, 0.0003441200000000 ] - [ 0.0000377000000000, -0.0004779800000000, 0.0011536400000000 ] - [ 0.0001599100000000, 0.0011394500000000, -0.0004108500000000 ] - [ -0.0074896700000000, -0.0052974400000000, 0.0077158000000000 ] - [ -0.0006496900000000, 0.0000898800000000, 0.0003727600000000 ] - [ 0.0011536800000000, 0.0005691600000000, 0.0012805400000000 ] - [ 0.0000324600000000, -0.0002154300000000, 0.0000989000000000 ] - [ 0.0000198100000000, 0.0004111400000000, -0.0000789100000000 ] - [ 0.0010805900000000, 0.0000440100000000, 0.0014200300000000 ] - [ 0.0006889700000000, -0.0002557900000000, 0.0000862600000000 ] - [ 0.0019362400000000, -0.0015913800000000, -0.0003222100000000 ] - [ 0.0080148700000000, 0.0035402300000000, -0.0134867700000000 ] - [ -0.0001135600000000, 0.0002225300000000, 0.0002122400000000 ] - [ -0.0005569600000000, 0.0006190800000000, -0.0002284300000000 ] - [ 0.0002729600000000, -0.0003534200000000, 0.0012915300000000 ] - [ -0.0005954200000000, -0.0002880900000000, 0.0003560500000000 ] - [ -0.0001646100000000, -0.0005770800000000, 0.0004518300000000 ] - [ 0.0006961900000000, -0.0002049800000000, 0.0005270200000000 ] - [ 0.0013766400000000, -0.0010494300000000, 0.0018458400000000 ] - [ -0.0005220200000000, -0.0001054100000000, -0.0000496100000000 ] - [ 0.0001795900000000, 0.0003238800000000, 0.0005911800000000 ] - [ -0.0009049600000000, 0.0003589700000000, -0.0008800200000000 ] - [ -0.0003707500000000, 0.0002718800000000, 0.0007031300000000 ] - [ -0.0006935200000000, -0.0007454100000000, 0.0015805800000000 ] - [ -0.0023378800000000, -0.0007047500000000, -0.0025245200000000 ] - [ 0.0021134600000000, 0.0004464700000000, 0.0015373800000000 ] - [ -0.0000314100000000, -0.0004598400000000, 0.0000134000000000 ] - [ -0.0004276400000000, -0.0002400300000000, 0.0007557500000000 ] - [ -0.0007228300000000, 0.0003582400000000, -0.0013961800000000 ] - [ 0.0065691300000000, 0.0068525000000000, -0.0099704500000000 ] - [ -0.0020597500000000, 0.0002872800000000, 0.0020145700000000 ] - [ -0.0004016700000000, -0.0002626600000000, -0.0013933300000000 ] - [ -0.0000855500000000, 0.0005720000000000, 0.0003215100000000 ] - [ 0.0076611900000000, 0.0004343500000000, 0.0060957200000000 ] - [ 0.0000342400000000, -0.0001373800000000, -0.0004211600000000 ] - [ 0.0002303200000000, -0.0000440100000000, 0.0009358600000000 ] - [ -0.0004337900000000, 0.0000639100000000, 0.0005994100000000 ] - [ -0.0006611200000000, 0.0001075700000000, -0.0003419800000000 ] - [ -0.0004929600000000, -0.0005823000000000, -0.0001161700000000 ] - [ -0.0002746500000000, -0.0001191700000000, -0.0000235900000000 ] - [ -0.0004114500000000, -0.0000991600000000, 0.0006927600000000 ] - [ 0.0000057400000000, 0.0002691800000000, 0.0002898600000000 ] - [ -0.0005756500000000, 0.0000092900000000, -0.0005353300000000 ] - [ -0.0003013300000000, -0.0000513900000000, 0.0000877600000000 ] - [ -0.0001525700000000, 0.0000914200000000, -0.0001520100000000 ] - [ 0.0001012500000000, 0.0000528800000000, 0.0002068500000000 ] - [ -0.0007210700000000, 0.0002413000000000, 0.0001374700000000 ] - [ -0.0002351100000000, 0.0000014100000000, -0.0004995900000000 ] - [ -0.0007184700000000, -0.0002706300000000, 0.0004985000000000 ] - [ 0.0002105800000000, -0.0006841300000000, 0.0004146500000000 ] - [ 0.0001960000000000, 0.0006929600000000, 0.0003873400000000 ] - [ -0.0000848100000000, 0.0000394700000000, -0.0002033800000000 ] - [ -0.0001978900000000, -0.0000083700000000, -0.0004902800000000 ] - [ -0.0000030500000000, -0.0002536600000000, 0.0000297600000000 ] - [ -0.0002062800000000, -0.0004403300000000, 0.0002693900000000 ] - [ -0.0000303500000000, 0.0003567500000000, -0.0002916600000000 ] - [ -0.0002098900000000, -0.0000268100000000, -0.0001489500000000 ] - [ -0.0006667600000000, -0.0001081000000000, -0.0003396300000000 ] - [ -0.0001307700000000, 0.0001313000000000, -0.0004350500000000 ] - [ -0.0005557800000000, 0.0000753200000000, -0.0002495200000000 ] - [ -0.0000345600000000, 0.0002759800000000, -0.0003473800000000 ] - [ 0.0000209700000000, 0.0002558900000000, -0.0000251200000000 ] - [ -0.0000909100000000, -0.0000414900000000, -0.0001930100000000 ] - [ 0.0001234100000000, -0.0000533000000000, 0.0001812400000000 ] - [ 0.0000314000000000, -0.0005125200000000, 0.0003596500000000 ] - [ 0.0001073800000000, -0.0000164200000000, -0.0002204700000000 ] - [ -0.0001174800000000, -0.0001296100000000, -0.0004306200000000 ] - [ -0.0002185100000000, 0.0001410700000000, -0.0000701900000000 ] - [ -0.0004912800000000, 0.0005814500000000, -0.0001110300000000 ] - [ 0.0001227000000000, 0.0000263300000000, -0.0002415800000000 ] - [ -0.0010381500000000, 0.0001700300000000, 0.0005647400000000 ] - [ -0.0003581700000000, -0.0005077800000000, 0.0001983700000000 ] - [ -0.0005705900000000, -0.0000047200000000, -0.0005493000000000 ] - [ 0.0000279200000000, -0.0001136100000000, -0.0002220400000000 ] - [ 0.0000300900000000, -0.0004602900000000, 0.0002059000000000 ] - [ 0.0000824900000000, -0.0003883400000000, 0.0008444300000000 ] - [ -0.0003423500000000, 0.0004900600000000, 0.0001620500000000 ] - [ -0.0002224700000000, 0.0000274000000000, -0.0001610000000000 ] - [ 0.0000347400000000, 0.0001117500000000, -0.0002257000000000 ] - [ -0.0001159300000000, -0.0002371900000000, -0.0003945800000000 ] - [ -0.0002954300000000, 0.0006392600000000, 0.0004139100000000 ] - [ -0.0002794000000000, 0.0001191500000000, -0.0000306800000000 ] - [ -0.0001984000000000, -0.0000961700000000, -0.0001200200000000 ] - [ -0.0005556700000000, -0.0000754000000000, -0.0002423900000000 ] - [ -0.0002935000000000, 0.0000827200000000, 0.0004994700000000 ]- atom: 50 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0007509300000000, 0.0001756100000000, 0.0008623200000000 ] - [ -0.0002183800000000, -0.0001338700000000, 0.0014833700000000 ] - [ -0.0007464500000000, 0.0023429700000000, 0.0019007100000000 ] - [ 0.0016688500000000, -0.0010318900000000, -0.0016251800000000 ] - [ -0.0001545200000000, 0.0001203300000000, -0.0002993800000000 ] - [ -0.0004507400000000, -0.0002669700000000, 0.0001514100000000 ] - [ -0.0001531200000000, -0.0001207200000000, -0.0003029300000000 ] - [ -0.0004564300000000, 0.0002677400000000, 0.0001439000000000 ] - [ -0.0036416100000000, -0.0054949500000000, -0.0094103300000000 ] - [ 0.0005112200000000, -0.0002497800000000, 0.0026933700000000 ] - [ 0.0005723000000000, 0.0003958300000000, 0.0014326600000000 ] - [ -0.0017287300000000, 0.0003164400000000, -0.0013482600000000 ] - [ -0.0003486700000000, 0.0001134000000000, -0.0003799200000000 ] - [ -0.0003323600000000, -0.0001238800000000, -0.0003441400000000 ] - [ -0.0005368300000000, 0.0002630900000000, 0.0001529500000000 ] - [ -0.0005868500000000, -0.0002942300000000, 0.0000392100000000 ] - [ 0.0033299700000000, 0.0010230600000000, 0.0003358100000000 ] - [ -0.0004818900000000, -0.0006280600000000, 0.0010422900000000 ] - [ 0.0012249600000000, 0.0010525400000000, -0.0001723900000000 ] - [ -0.0005728000000000, 0.0005252800000000, 0.0006648700000000 ] - [ 0.0022449500000000, -0.0000573500000000, 0.0026444000000000 ] - [ 0.0000837300000000, -0.0001960000000000, 0.0015319700000000 ] - [ 0.0034471700000000, -0.0021295000000000, 0.0016398300000000 ] - [ -0.0007553100000000, -0.0004374200000000, 0.0009762500000000 ] - [ 0.0627883600000000, 0.0814710300000000, -0.0847762600000000 ] - [ -0.0003577400000000, -0.0001310700000000, 0.0009209000000000 ] - [ -0.0000740400000000, 0.0003000300000000, 0.0001063300000000 ] - [ -0.0006043000000000, -0.0003977500000000, 0.0000291000000000 ] - [ -0.0000354400000000, 0.0007281200000000, 0.0027677300000000 ] - [ 0.0003975800000000, 0.0004371100000000, -0.0005503400000000 ] - [ -0.0037446600000000, -0.0002966900000000, 0.0000159300000000 ] - [ -0.0018576800000000, -0.0004109300000000, -0.0011898800000000 ] - [ -0.0003617200000000, -0.0000730600000000, -0.0000650700000000 ] - [ 0.0003446900000000, -0.0007738800000000, 0.0003850200000000 ] - [ 0.0002468400000000, 0.0007868300000000, 0.0003597300000000 ] - [ -0.0011275300000000, 0.0001846300000000, 0.0005593400000000 ] - [ -0.0001473000000000, -0.0000960300000000, -0.0001308900000000 ] - [ -0.0003429500000000, 0.0001500700000000, -0.0001721600000000 ] - [ -0.0001738700000000, -0.0001808600000000, -0.0001670100000000 ] - [ -0.0002826700000000, -0.0007258400000000, 0.0010479400000000 ] - [ -0.0001528900000000, 0.0000996300000000, -0.0001505800000000 ] - [ 0.0000512800000000, -0.0002349000000000, 0.0002437000000000 ] - [ -0.0003977500000000, 0.0004110500000000, 0.0003286300000000 ] - [ -0.0002700600000000, -0.0003343800000000, -0.0001841600000000 ] - [ -0.0001446400000000, 0.0001824300000000, -0.0001611200000000 ] - [ -0.0001343400000000, 0.0002157900000000, 0.0002658300000000 ] - [ -0.0003374100000000, 0.0000721000000000, -0.0000760400000000 ] - [ -0.0002898100000000, -0.0001163500000000, -0.0002950800000000 ] - [ 0.0014059200000000, 0.0029393700000000, -0.0040052200000000 ] - [ -0.0485147100000000, -0.0757960100000000, 0.0865318200000000 ] - [ -0.0002817900000000, -0.0009159000000000, -0.0014415400000000 ] - [ -0.0002152300000000, -0.0001510600000000, 0.0005778600000000 ] - [ 0.0004951100000000, -0.0000192000000000, -0.0000731100000000 ] - [ -0.0011219600000000, -0.0005954700000000, -0.0017050800000000 ] - [ -0.0000555100000000, -0.0001719600000000, -0.0002499000000000 ] - [ 0.0002252600000000, 0.0000683500000000, -0.0003940500000000 ] - [ -0.0003326900000000, 0.0002305800000000, 0.0003744900000000 ] - [ -0.0001587700000000, 0.0000749400000000, 0.0004789500000000 ] - [ -0.0004776300000000, 0.0001262200000000, 0.0002644500000000 ] - [ -0.0003854100000000, -0.0001653100000000, 0.0003605000000000 ] - [ 0.0006265700000000, -0.0008259500000000, -0.0003428700000000 ] - [ 0.0005033400000000, 0.0001646800000000, 0.0012222600000000 ] - [ 0.0076221200000000, 0.0054628400000000, -0.0081547900000000 ] - [ 0.0005532300000000, -0.0002039700000000, -0.0013461400000000 ] - [ -0.0008176100000000, -0.0009291000000000, -0.0012716700000000 ] - [ 0.0002468800000000, -0.0002237500000000, 0.0003120400000000 ] - [ 0.0002393700000000, 0.0003916100000000, -0.0000355900000000 ] - [ -0.0008625400000000, -0.0000911700000000, -0.0015419000000000 ] - [ -0.0017341600000000, -0.0000179800000000, -0.0007806100000000 ] - [ -0.0016419900000000, 0.0018461200000000, -0.0003866500000000 ] - [ -0.0085599600000000, -0.0036062400000000, 0.0128558200000000 ] - [ 0.0004455900000000, 0.0004398800000000, -0.0008029300000000 ] - [ 0.0008892000000000, -0.0002630300000000, 0.0002452400000000 ] - [ -0.0002057600000000, 0.0002693000000000, -0.0017300500000000 ] - [ 0.0010724900000000, 0.0002408700000000, -0.0000166400000000 ] - [ 0.0002275900000000, -0.0004378100000000, 0.0002745800000000 ] - [ -0.0000704100000000, 0.0000265500000000, -0.0009600000000000 ] - [ -0.0010899200000000, 0.0007607900000000, -0.0025516100000000 ] - [ 0.0004348200000000, 0.0005444800000000, -0.0000722600000000 ] - [ -0.0007442200000000, 0.0006113800000000, -0.0009146600000000 ] - [ 0.0015178500000000, -0.0001968300000000, 0.0004636000000000 ] - [ 0.0000019400000000, 0.0004257800000000, 0.0008238600000000 ] - [ 0.0002980000000000, -0.0001726000000000, -0.0013010900000000 ] - [ 0.0014687000000000, 0.0006237800000000, 0.0015360400000000 ] - [ -0.0017366700000000, -0.0005348900000000, -0.0020791700000000 ] - [ 0.0002907200000000, -0.0003428800000000, -0.0001274500000000 ] - [ 0.0000590300000000, -0.0004576800000000, 0.0007712400000000 ] - [ 0.0003032500000000, 0.0005681900000000, 0.0016772200000000 ] - [ -0.0063594000000000, -0.0066952800000000, 0.0097602200000000 ] - [ 0.0023907600000000, -0.0001837300000000, -0.0024927700000000 ] - [ 0.0007281400000000, -0.0004003900000000, 0.0007948300000000 ] - [ 0.0001488200000000, 0.0004435000000000, 0.0004033200000000 ] - [ -0.0078928000000000, -0.0001605700000000, -0.0060729600000000 ] - [ -0.0001650500000000, 0.0000165200000000, 0.0001071100000000 ] - [ -0.0009026700000000, 0.0000767700000000, -0.0014876700000000 ] - [ -0.0000424900000000, 0.0002067000000000, 0.0005454100000000 ] - [ -0.0003847100000000, 0.0001623300000000, -0.0003513400000000 ] - [ -0.0000793400000000, -0.0003566000000000, -0.0002047000000000 ] - [ -0.0000566400000000, -0.0001152400000000, -0.0000170500000000 ] - [ -0.0000646700000000, -0.0001710400000000, 0.0004511800000000 ] - [ 0.0002724300000000, 0.0001708400000000, 0.0001222500000000 ] - [ -0.0002675000000000, 0.0000456300000000, -0.0004399400000000 ] - [ 0.0002165700000000, -0.0003894000000000, -0.0002103200000000 ] - [ 0.0000209800000000, 0.0000294400000000, -0.0001602500000000 ] - [ 0.0003769400000000, -0.0000052500000000, 0.0001337200000000 ] - [ -0.0003370300000000, 0.0001331000000000, 0.0005676300000000 ] - [ 0.0001393400000000, 0.0001138200000000, -0.0004752800000000 ] - [ -0.0003412000000000, -0.0001029900000000, 0.0002059900000000 ] - [ 0.0004537900000000, -0.0006203000000000, 0.0003958000000000 ] - [ 0.0004684300000000, 0.0006119000000000, 0.0004226200000000 ] - [ 0.0001481300000000, 0.0000469600000000, -0.0002303000000000 ] - [ 0.0001025200000000, -0.0001067000000000, -0.0004844100000000 ] - [ 0.0003364000000000, -0.0001069600000000, -0.0000213800000000 ] - [ 0.0004845300000000, 0.0000006200000000, 0.0001428600000000 ] - [ 0.0002899200000000, 0.0004453700000000, 0.0001771100000000 ] - [ 0.0004215100000000, -0.0000210400000000, 0.0000249800000000 ] - [ -0.0003791000000000, -0.0001615100000000, -0.0003541900000000 ] - [ 0.0004088900000000, 0.0001548500000000, -0.0002721100000000 ] - [ -0.0001241200000000, -0.0001040100000000, -0.0002997800000000 ] - [ 0.0003630800000000, 0.0003864700000000, -0.0002463000000000 ] - [ 0.0003119900000000, 0.0001054300000000, 0.0000338500000000 ] - [ 0.0001540100000000, -0.0000443600000000, -0.0002400300000000 ] - [ 0.0003550600000000, 0.0000061200000000, 0.0001592500000000 ] - [ 0.0000316500000000, -0.0005025000000000, 0.0003663900000000 ] - [ 0.0005145000000000, -0.0001606100000000, -0.0002122400000000 ] - [ 0.0003952800000000, -0.0001562800000000, -0.0002764900000000 ] - [ 0.0001347000000000, 0.0003001700000000, -0.0000532600000000 ] - [ -0.0000809800000000, 0.0003576300000000, -0.0002097600000000 ] - [ 0.0004993400000000, 0.0001511000000000, -0.0001913000000000 ] - [ 0.0006685700000000, 0.0005287800000000, 0.0009611800000000 ] - [ -0.0000399800000000, -0.0004106100000000, 0.0000807800000000 ] - [ -0.0002726800000000, -0.0000496400000000, -0.0004260200000000 ] - [ 0.0003564100000000, 0.0000253200000000, -0.0003015800000000 ] - [ 0.0002289000000000, -0.0003424600000000, -0.0003199000000000 ] - [ -0.0004515000000000, -0.0003091300000000, 0.0006822400000000 ] - [ -0.0000559300000000, 0.0004285300000000, 0.0001169100000000 ] - [ 0.0004347800000000, 0.0000212900000000, 0.0000364100000000 ] - [ 0.0003496200000000, -0.0000233000000000, -0.0002981100000000 ] - [ 0.0004446300000000, -0.0004250100000000, -0.0001987100000000 ] - [ 0.0003582600000000, 0.0003763600000000, 0.0003114600000000 ] - [ -0.0000526000000000, 0.0001160900000000, -0.0000102700000000 ] - [ 0.0000668100000000, -0.0000244000000000, -0.0001921600000000 ] - [ -0.0001242100000000, 0.0001042800000000, -0.0003069300000000 ] - [ -0.0001824300000000, 0.0001877200000000, 0.0006446600000000 ]- atom: 51 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0009134500000000, 0.0003179400000000, -0.0010561300000000 ] - [ -0.0006529200000000, -0.0005284200000000, -0.0005372700000000 ] - [ 0.0045084600000000, 0.0016253900000000, -0.0030953200000000 ] - [ -0.0001982100000000, 0.0002794200000000, 0.0009111700000000 ] - [ -0.0003239100000000, 0.0001228700000000, -0.0003039200000000 ] - [ -0.0005867600000000, -0.0002767000000000, 0.0001306100000000 ] - [ -0.0003297400000000, -0.0001234000000000, -0.0003062400000000 ] - [ -0.0005962400000000, 0.0002779100000000, 0.0001181800000000 ] - [ 0.0032556200000000, 0.0004345800000000, -0.0010489900000000 ] - [ 0.0092830300000000, -0.0048600400000000, -0.0078710700000000 ] - [ -0.0016066400000000, 0.0001721400000000, -0.0005580400000000 ] - [ -0.0002391900000000, -0.0002478400000000, 0.0006198800000000 ] - [ -0.0008935400000000, 0.0000800700000000, -0.0003717900000000 ] - [ -0.0009070400000000, -0.0000753600000000, -0.0003816900000000 ] - [ -0.0011383600000000, 0.0002894700000000, 0.0001931700000000 ] - [ -0.0011532300000000, -0.0003300000000000, -0.0000054400000000 ] - [ -0.0023910400000000, -0.0019546500000000, 0.0003287300000000 ] - [ 0.0000911800000000, -0.0007618600000000, -0.0000425100000000 ] - [ -0.0004397300000000, 0.0006132600000000, 0.0007521300000000 ] - [ -0.0008724000000000, 0.0005084600000000, 0.0006309200000000 ] - [ -0.0025695000000000, 0.0071886300000000, -0.0008049900000000 ] - [ 0.0019250500000000, -0.0020978900000000, 0.0026729100000000 ] - [ 0.0033306400000000, 0.0007012200000000, -0.0009661100000000 ] - [ -0.0014144200000000, -0.0002684200000000, 0.0010026000000000 ] - [ 0.0024299500000000, -0.0001206900000000, 0.0003408800000000 ] - [ -0.0029650200000000, -0.0000488100000000, 0.0010523400000000 ] - [ -0.0005801200000000, 0.0003979200000000, 0.0004846700000000 ] - [ -0.0012550600000000, -0.0005053800000000, -0.0002899500000000 ] - [ 0.0787852800000000, 0.0951040300000000, 0.0403307700000000 ] - [ 0.0007168300000000, 0.0001341000000000, 0.0001718000000000 ] - [ 0.0000866300000000, 0.0000604400000000, -0.0004925200000000 ] - [ 0.0015078000000000, 0.0024883400000000, -0.0056405000000000 ] - [ -0.0007968300000000, -0.0001015600000000, -0.0000979300000000 ] - [ -0.0000327200000000, -0.0007432900000000, 0.0003778500000000 ] - [ -0.0002096400000000, 0.0007504500000000, 0.0002580700000000 ] - [ -0.0009293900000000, 0.0004901200000000, 0.0008852600000000 ] - [ -0.0008608700000000, -0.0001878600000000, -0.0000997300000000 ] - [ -0.0007780700000000, 0.0001918300000000, -0.0002641800000000 ] - [ -0.0005989500000000, -0.0003090200000000, -0.0002443200000000 ] - [ -0.0013599700000000, -0.0002342300000000, 0.0007342000000000 ] - [ -0.0008465300000000, 0.0001884300000000, -0.0001224300000000 ] - [ -0.0005627500000000, -0.0002356100000000, 0.0003448400000000 ] - [ -0.0008214100000000, 0.0003434200000000, 0.0000181600000000 ] - [ -0.0008262900000000, -0.0004046900000000, 0.0002901300000000 ] - [ -0.0006145100000000, 0.0003076300000000, -0.0002443700000000 ] - [ -0.0004730300000000, 0.0002487000000000, 0.0003113400000000 ] - [ -0.0007430600000000, 0.0000986800000000, -0.0001037000000000 ] - [ -0.0007889000000000, -0.0002011700000000, -0.0002076900000000 ] - [ -0.0006626600000000, 0.0000936700000000, 0.0000207600000000 ] - [ -0.0015343100000000, -0.0013801900000000, -0.0000604000000000 ] - [ -0.0821786400000000, -0.0861619000000000, -0.0198109300000000 ] - [ -0.0001289000000000, -0.0001243800000000, 0.0004137800000000 ] - [ 0.0010017100000000, -0.0002808800000000, -0.0002248100000000 ] - [ 0.0002128200000000, 0.0005271200000000, 0.0003786300000000 ] - [ 0.0002319900000000, -0.0002811800000000, -0.0004450800000000 ] - [ 0.0007130000000000, 0.0002997400000000, -0.0000231700000000 ] - [ 0.0009694800000000, -0.0001834000000000, -0.0000845600000000 ] - [ 0.0001715700000000, -0.0000321600000000, 0.0006144700000000 ] - [ 0.0004972800000000, 0.0002323800000000, -0.0009919500000000 ] - [ -0.0001061100000000, -0.0001213400000000, 0.0003787100000000 ] - [ 0.0005534300000000, -0.0004886900000000, 0.0007078500000000 ] - [ 0.0005908700000000, 0.0007980400000000, -0.0000141100000000 ] - [ -0.0090174700000000, -0.0094682100000000, -0.0084220400000000 ] - [ 0.0002339700000000, -0.0001885700000000, -0.0000895100000000 ] - [ -0.0005653500000000, -0.0005778400000000, -0.0018403700000000 ] - [ 0.0002495500000000, -0.0001195300000000, 0.0002967200000000 ] - [ 0.0003690400000000, 0.0003527100000000, -0.0000378300000000 ] - [ 0.0011995300000000, -0.0004697300000000, 0.0000501700000000 ] - [ -0.0001061500000000, 0.0003544200000000, -0.0009120300000000 ] - [ -0.0012542100000000, 0.0001027200000000, -0.0004821800000000 ] - [ -0.0012984200000000, 0.0004825300000000, -0.0008027500000000 ] - [ 0.0019278200000000, -0.0009569400000000, -0.0034815300000000 ] - [ 0.0049598300000000, -0.0008381900000000, 0.0069612600000000 ] - [ -0.0013307300000000, -0.0003049100000000, 0.0018381900000000 ] - [ 0.0002329500000000, -0.0000346500000000, 0.0003276100000000 ] - [ 0.0004549300000000, -0.0003519800000000, 0.0002886300000000 ] - [ -0.0034139900000000, 0.0026027000000000, 0.0001785600000000 ] - [ -0.0119609400000000, -0.0050262200000000, -0.0052176400000000 ] - [ 0.0006191800000000, 0.0004539600000000, 0.0003065200000000 ] - [ 0.0045411600000000, -0.0033869700000000, 0.0076423200000000 ] - [ -0.0019308800000000, -0.0003508300000000, 0.0012381000000000 ] - [ 0.0002237000000000, 0.0005192600000000, 0.0008647200000000 ] - [ 0.0043179500000000, 0.0049342300000000, -0.0078758400000000 ] - [ -0.0005777200000000, -0.0000995500000000, -0.0005029500000000 ] - [ 0.0047722500000000, 0.0006963600000000, -0.0006690000000000 ] - [ 0.0004938900000000, -0.0002850000000000, -0.0001810000000000 ] - [ 0.0003792200000000, -0.0005964700000000, 0.0008067800000000 ] - [ -0.0015253600000000, 0.0012305700000000, 0.0015357300000000 ] - [ -0.0006762100000000, 0.0001090400000000, -0.0008443800000000 ] - [ -0.0000586200000000, 0.0002049200000000, 0.0001195800000000 ] - [ -0.0006264600000000, -0.0004090600000000, 0.0000059500000000 ] - [ 0.0003050600000000, 0.0003614400000000, 0.0003622500000000 ] - [ -0.0009564900000000, -0.0000810100000000, 0.0004184500000000 ] - [ -0.0001060900000000, -0.0000212300000000, -0.0005540300000000 ] - [ -0.0020546600000000, -0.0007058000000000, 0.0002144600000000 ] - [ 0.0002272300000000, 0.0003853200000000, 0.0006782400000000 ] - [ -0.0002147100000000, 0.0001934000000000, -0.0003590100000000 ] - [ 0.0001739700000000, -0.0002193200000000, -0.0002629400000000 ] - [ 0.0000861000000000, -0.0001123300000000, -0.0000054400000000 ] - [ -0.0000060000000000, -0.0002489000000000, 0.0006154600000000 ] - [ 0.0007121900000000, -0.0001105400000000, 0.0000425100000000 ] - [ -0.0000729200000000, 0.0000705100000000, -0.0003732200000000 ] - [ 0.0004573200000000, -0.0004860500000000, -0.0001952300000000 ] - [ 0.0001890200000000, -0.0000144000000000, -0.0002108000000000 ] - [ 0.0005411000000000, -0.0000445800000000, 0.0001073600000000 ] - [ -0.0000350000000000, 0.0000264300000000, 0.0003834200000000 ] - [ 0.0003580200000000, 0.0001875700000000, -0.0004521300000000 ] - [ 0.0000929500000000, -0.0000462500000000, 0.0006071600000000 ] - [ 0.0006080200000000, -0.0005846800000000, 0.0003813400000000 ] - [ 0.0006327700000000, 0.0005593900000000, 0.0004486500000000 ] - [ 0.0003023900000000, 0.0000488200000000, -0.0002599600000000 ] - [ 0.0002995500000000, -0.0001634600000000, -0.0004874700000000 ] - [ 0.0005142900000000, -0.0000139400000000, 0.0000246700000000 ] - [ 0.0006033400000000, 0.0000250000000000, 0.0000426100000000 ] - [ 0.0003920600000000, 0.0003333600000000, -0.0002126000000000 ] - [ 0.0008235300000000, -0.0000168700000000, 0.0001387300000000 ] - [ -0.0002006400000000, -0.0001946700000000, -0.0003627300000000 ] - [ 0.0007248400000000, 0.0001717700000000, -0.0001761100000000 ] - [ 0.0001424000000000, -0.0002139900000000, -0.0003349700000000 ] - [ 0.0007175200000000, 0.0005065700000000, -0.0001218500000000 ] - [ 0.0005238200000000, 0.0000145100000000, -0.0000030500000000 ] - [ 0.0002983500000000, -0.0000496200000000, -0.0002571500000000 ] - [ 0.0005033000000000, 0.0000389400000000, 0.0001259200000000 ] - [ 0.0004489800000000, -0.0003462300000000, 0.0002647100000000 ] - [ 0.0007493600000000, -0.0002384000000000, -0.0001781400000000 ] - [ 0.0007327500000000, -0.0001716200000000, -0.0001756400000000 ] - [ 0.0004714100000000, 0.0005191500000000, -0.0002594300000000 ] - [ 0.0001762300000000, 0.0002174800000000, -0.0002672400000000 ] - [ 0.0007529100000000, 0.0002416600000000, -0.0001870100000000 ] - [ 0.0000504400000000, 0.0004723100000000, 0.0008190500000000 ] - [ 0.0001384500000000, -0.0003744300000000, 0.0000538500000000 ] - [ -0.0000918200000000, -0.0000745400000000, -0.0003560000000000 ] - [ 0.0005607100000000, 0.0001115000000000, -0.0003499800000000 ] - [ 0.0004644100000000, -0.0003285700000000, -0.0000050400000000 ] - [ 0.0005731000000000, -0.0006338200000000, 0.0008987300000000 ] - [ 0.0001418600000000, 0.0003668500000000, 0.0000399900000000 ] - [ 0.0008309700000000, 0.0000166700000000, 0.0001542300000000 ] - [ 0.0005438600000000, -0.0001055600000000, -0.0003436900000000 ] - [ 0.0006791300000000, -0.0004906200000000, -0.0001394400000000 ] - [ 0.0003137800000000, 0.0003684000000000, 0.0003478700000000 ] - [ 0.0000812900000000, 0.0001126200000000, -0.0000068500000000 ] - [ 0.0001700400000000, 0.0000183200000000, -0.0001848900000000 ] - [ 0.0001459800000000, 0.0002157800000000, -0.0003416100000000 ] - [ 0.0000416300000000, 0.0002335400000000, 0.0004892000000000 ]- atom: 51 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0009445800000000, -0.0000817800000000, 0.0004566000000000 ] - [ -0.0000341600000000, 0.0000100300000000, 0.0008689100000000 ] - [ -0.0046227700000000, -0.0019774300000000, 0.0027083400000000 ] - [ -0.0004876400000000, 0.0002381700000000, -0.0005814400000000 ] - [ 0.0002942700000000, 0.0001139800000000, -0.0002940700000000 ] - [ -0.0000984000000000, -0.0002421400000000, 0.0002013700000000 ] - [ 0.0002999700000000, -0.0001139700000000, -0.0002916000000000 ] - [ -0.0000890700000000, 0.0002403300000000, 0.0002138200000000 ] - [ -0.0030284700000000, -0.0001283600000000, 0.0003691700000000 ] - [ -0.0091139600000000, 0.0046240200000000, 0.0072998400000000 ] - [ 0.0014187100000000, 0.0003386000000000, 0.0007601800000000 ] - [ 0.0000514000000000, -0.0002614600000000, -0.0004230400000000 ] - [ 0.0011123300000000, 0.0002237600000000, -0.0003260200000000 ] - [ 0.0011259800000000, -0.0002285100000000, -0.0003160000000000 ] - [ 0.0009527700000000, 0.0002193400000000, 0.0000060700000000 ] - [ 0.0009666100000000, -0.0001796200000000, 0.0002045200000000 ] - [ 0.0023654100000000, 0.0018653900000000, -0.0004228800000000 ] - [ 0.0011689500000000, -0.0008547500000000, 0.0008710300000000 ] - [ 0.0017021200000000, 0.0010043300000000, 0.0000760400000000 ] - [ 0.0003015400000000, 0.0006426700000000, 0.0010323700000000 ] - [ 0.0033925300000000, -0.0072682900000000, 0.0005062300000000 ] - [ -0.0018043800000000, 0.0022542100000000, -0.0031580000000000 ] - [ -0.0029170400000000, -0.0008611600000000, 0.0007531300000000 ] - [ 0.0008461200000000, -0.0008842000000000, 0.0006639900000000 ] - [ -0.0016038700000000, 0.0001716600000000, -0.0006738100000000 ] - [ 0.0036682800000000, -0.0003773300000000, -0.0006529200000000 ] - [ 0.0006512400000000, 0.0002918000000000, -0.0005309500000000 ] - [ 0.0013185500000000, -0.0001876600000000, 0.0002515200000000 ] - [ -0.0784453200000000, -0.0932500600000000, -0.0398709500000000 ] - [ -0.0000241400000000, 0.0003001700000000, 0.0002030800000000 ] - [ -0.0001107600000000, 0.0000399600000000, 0.0003958200000000 ] - [ -0.0013671900000000, -0.0026247800000000, 0.0051482900000000 ] - [ 0.0007753200000000, 0.0000007500000000, 0.0000024500000000 ] - [ 0.0012938500000000, -0.0008734400000000, 0.0004501800000000 ] - [ 0.0014704300000000, 0.0008663200000000, 0.0005710700000000 ] - [ 0.0003591300000000, 0.0006606900000000, 0.0007789000000000 ] - [ 0.0016914700000000, 0.0001375400000000, -0.0002324600000000 ] - [ 0.0008847700000000, -0.0000224100000000, -0.0002024800000000 ] - [ 0.0009964900000000, 0.0001487800000000, 0.0000423100000000 ] - [ 0.0007903900000000, -0.0009173300000000, 0.0009311700000000 ] - [ 0.0016767400000000, -0.0001383000000000, -0.0002097600000000 ] - [ 0.0012553800000000, -0.0002004700000000, 0.0000335100000000 ] - [ 0.0008905600000000, 0.0003464300000000, -0.0000614300000000 ] - [ 0.0008959000000000, -0.0002852000000000, -0.0003334900000000 ] - [ 0.0010122300000000, -0.0001476500000000, 0.0000427000000000 ] - [ 0.0011654100000000, 0.0001874200000000, 0.0000667300000000 ] - [ 0.0007213200000000, 0.0000021700000000, 0.0000077900000000 ] - [ 0.0008959900000000, 0.0000317500000000, -0.0002591200000000 ] - [ -0.0003814700000000, 0.0001747300000000, -0.0007143200000000 ] - [ 0.0009659500000000, 0.0004435200000000, -0.0002586400000000 ] - [ 0.0820424900000000, 0.0843560900000000, 0.0189204200000000 ] - [ -0.0003463800000000, -0.0001482900000000, 0.0007335300000000 ] - [ -0.0007276000000000, 0.0007220700000000, 0.0006378800000000 ] - [ -0.0010543100000000, -0.0004758100000000, -0.0013588800000000 ] - [ -0.0003165600000000, -0.0001601400000000, 0.0003214900000000 ] - [ -0.0008392600000000, -0.0001734300000000, -0.0002991100000000 ] - [ -0.0004927700000000, 0.0002327400000000, 0.0004242600000000 ] - [ -0.0012282300000000, 0.0004068400000000, 0.0000894600000000 ] - [ -0.0005942000000000, -0.0001182800000000, 0.0000198300000000 ] - [ -0.0009530800000000, -0.0002534300000000, 0.0003256500000000 ] - [ 0.0001116400000000, -0.0008166600000000, 0.0001022800000000 ] - [ 0.0000734900000000, 0.0005067000000000, 0.0008252700000000 ] - [ 0.0090297900000000, 0.0094373300000000, 0.0079756600000000 ] - [ -0.0003291300000000, 0.0000733800000000, -0.0008851000000000 ] - [ 0.0009006800000000, 0.0002189800000000, 0.0018348300000000 ] - [ 0.0000301900000000, -0.0003192800000000, 0.0001169800000000 ] - [ -0.0001089000000000, 0.0004504400000000, -0.0000743200000000 ] - [ -0.0009798400000000, 0.0004234500000000, -0.0001723800000000 ] - [ -0.0009348100000000, -0.0006262900000000, 0.0002169800000000 ] - [ 0.0015342300000000, 0.0001825400000000, -0.0002231700000000 ] - [ 0.0006252800000000, -0.0005153700000000, 0.0002539300000000 ] - [ -0.0016111900000000, 0.0015915400000000, 0.0028631400000000 ] - [ -0.0045083900000000, 0.0011859800000000, -0.0067967500000000 ] - [ 0.0013866400000000, 0.0002145000000000, -0.0022472900000000 ] - [ 0.0002453700000000, -0.0000135200000000, 0.0000130100000000 ] - [ -0.0003904700000000, -0.0006629700000000, 0.0004349700000000 ] - [ 0.0040155300000000, -0.0027631500000000, -0.0006018900000000 ] - [ 0.0121932300000000, 0.0047188100000000, 0.0044277700000000 ] - [ -0.0006935900000000, -0.0000080300000000, -0.0004283000000000 ] - [ -0.0051198400000000, 0.0043381000000000, -0.0080519500000000 ] - [ 0.0025346400000000, 0.0005362800000000, -0.0016650800000000 ] - [ -0.0005911400000000, 0.0001790000000000, 0.0006610600000000 ] - [ -0.0046631000000000, -0.0058049800000000, 0.0080147100000000 ] - [ -0.0002640800000000, 0.0000446100000000, -0.0004698200000000 ] - [ -0.0044348600000000, -0.0007930700000000, 0.0001477400000000 ] - [ -0.0002339200000000, -0.0005177000000000, 0.0000683100000000 ] - [ -0.0007473300000000, -0.0001017700000000, 0.0007180300000000 ] - [ 0.0011179200000000, -0.0003072100000000, -0.0012496500000000 ] - [ 0.0008925000000000, -0.0000621000000000, 0.0007242200000000 ] - [ 0.0004447200000000, -0.0001170700000000, -0.0006441800000000 ] - [ 0.0009528200000000, -0.0002575800000000, -0.0005942200000000 ] - [ -0.0002405300000000, 0.0006536400000000, 0.0003631600000000 ] - [ 0.0006230800000000, 0.0003159500000000, -0.0004583000000000 ] - [ -0.0000253300000000, -0.0000996700000000, 0.0002406200000000 ] - [ 0.0013984400000000, 0.0007538500000000, -0.0007739500000000 ] - [ -0.0007017800000000, -0.0001144400000000, 0.0004644700000000 ] - [ -0.0008309200000000, 0.0000744000000000, -0.0003352700000000 ] - [ -0.0007440500000000, -0.0007189900000000, -0.0000579500000000 ] - [ -0.0004159300000000, -0.0001215200000000, -0.0000364300000000 ] - [ -0.0004690000000000, -0.0000232600000000, 0.0005303800000000 ] - [ -0.0004335000000000, 0.0005502000000000, 0.0003703400000000 ] - [ -0.0007698700000000, -0.0000157400000000, -0.0006008600000000 ] - [ -0.0005393900000000, 0.0000431800000000, 0.0000702300000000 ] - [ -0.0003199500000000, 0.0001363300000000, -0.0001039900000000 ] - [ -0.0000632300000000, 0.0000931800000000, 0.0002325000000000 ] - [ -0.0010237000000000, 0.0003486500000000, 0.0003208900000000 ] - [ -0.0004537100000000, -0.0000727200000000, -0.0005222800000000 ] - [ -0.0011508600000000, -0.0003283000000000, 0.0000969200000000 ] - [ 0.0000563800000000, -0.0007206700000000, 0.0004293200000000 ] - [ 0.0000318100000000, 0.0007462500000000, 0.0003613400000000 ] - [ -0.0002364400000000, 0.0000378500000000, -0.0001737800000000 ] - [ -0.0003951900000000, 0.0000483100000000, -0.0004864600000000 ] - [ -0.0001802500000000, -0.0003457600000000, -0.0000159600000000 ] - [ -0.0003243900000000, -0.0004644500000000, 0.0003706100000000 ] - [ -0.0001319000000000, 0.0004698000000000, 0.0001005900000000 ] - [ -0.0006103000000000, -0.0000299600000000, -0.0002604200000000 ] - [ -0.0008450600000000, -0.0000730900000000, -0.0003321200000000 ] - [ -0.0004436100000000, 0.0001150000000000, -0.0005304200000000 ] - [ -0.0008189200000000, 0.0001846600000000, -0.0002133400000000 ] - [ -0.0003868700000000, 0.0001575900000000, -0.0004708100000000 ] - [ -0.0001900100000000, 0.0003455700000000, 0.0000119500000000 ] - [ -0.0002325800000000, -0.0000367600000000, -0.0001760200000000 ] - [ -0.0000253700000000, -0.0000872500000000, 0.0002145500000000 ] - [ -0.0003848300000000, -0.0006691800000000, 0.0004599300000000 ] - [ -0.0001255400000000, 0.0000599100000000, -0.0002529100000000 ] - [ -0.0004519400000000, -0.0001151600000000, -0.0005308700000000 ] - [ -0.0005531900000000, -0.0000764700000000, 0.0001340700000000 ] - [ -0.0007462800000000, 0.0007207600000000, -0.0000536000000000 ] - [ -0.0001290000000000, -0.0000631000000000, -0.0002441700000000 ] - [ -0.0004176600000000, 0.0002261500000000, 0.0007068000000000 ] - [ -0.0005357300000000, -0.0005433800000000, 0.0002231200000000 ] - [ -0.0007508900000000, 0.0000199400000000, -0.0006179100000000 ] - [ -0.0001755000000000, -0.0001999500000000, -0.0001739300000000 ] - [ -0.0002040100000000, -0.0004742900000000, -0.0001079000000000 ] - [ -0.0009414200000000, -0.0000643600000000, 0.0006256900000000 ] - [ -0.0005393800000000, 0.0005509100000000, 0.0002369000000000 ] - [ -0.0006168600000000, 0.0000307400000000, -0.0002764200000000 ] - [ -0.0001588100000000, 0.0001939800000000, -0.0001806200000000 ] - [ -0.0003481600000000, -0.0001737200000000, -0.0004526600000000 ] - [ -0.0002489900000000, 0.0006464700000000, 0.0003769500000000 ] - [ -0.0004118300000000, 0.0001217100000000, -0.0000352100000000 ] - [ -0.0003008500000000, -0.0001401500000000, -0.0001296600000000 ] - [ -0.0008225100000000, -0.0001865900000000, -0.0002067400000000 ] - [ -0.0005167700000000, 0.0000384800000000, 0.0006565500000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002508800000000, 0.0001264100000000, -0.0007509900000000 ] - [ -0.0006566000000000, -0.0002426200000000, -0.0001089600000000 ] - [ 0.0024018100000000, 0.0014867000000000, -0.0022783700000000 ] - [ 0.0002221000000000, 0.0002233100000000, 0.0003023900000000 ] - [ -0.0000197800000000, 0.0001185800000000, -0.0003001300000000 ] - [ -0.0003440300000000, -0.0002595900000000, 0.0001646800000000 ] - [ -0.0000208400000000, -0.0001186900000000, -0.0002977300000000 ] - [ -0.0003502800000000, 0.0002594700000000, 0.0001659200000000 ] - [ -0.0001756400000000, -0.0013408700000000, -0.0074114100000000 ] - [ 0.0000978500000000, 0.0037897400000000, 0.0126855200000000 ] - [ -0.0002803000000000, 0.0002064000000000, -0.0000882400000000 ] - [ 0.0002632200000000, -0.0002128400000000, 0.0002182500000000 ] - [ 0.0000911100000000, 0.0001513400000000, -0.0003482300000000 ] - [ 0.0000918400000000, -0.0001499500000000, -0.0003519300000000 ] - [ -0.0000426300000000, 0.0002408700000000, 0.0001214700000000 ] - [ -0.0001833200000000, -0.0002770200000000, 0.0000660000000000 ] - [ -0.0009837900000000, -0.0006781600000000, 0.0002954800000000 ] - [ 0.0006237000000000, -0.0007748500000000, 0.0002738900000000 ] - [ 0.0005545200000000, 0.0007757700000000, 0.0005941800000000 ] - [ -0.0003922700000000, 0.0005476000000000, 0.0005925600000000 ] - [ 0.0028522000000000, 0.0023046000000000, 0.0044904600000000 ] - [ 0.0017110800000000, -0.0035401000000000, 0.0004912700000000 ] - [ 0.0009404400000000, -0.0003709500000000, -0.0042974600000000 ] - [ -0.0001309400000000, -0.0007122800000000, 0.0011470100000000 ] - [ 0.0011183100000000, 0.0003345500000000, -0.0008246800000000 ] - [ 0.0039180900000000, 0.0005916500000000, 0.0029555100000000 ] - [ 0.0003722200000000, 0.0003392400000000, -0.0003724600000000 ] - [ -0.0005063700000000, -0.0004358900000000, 0.0002221100000000 ] - [ 0.0864699000000000, 0.1974728500000000, 0.0723978800000000 ] - [ -0.0000779000000000, 0.0003133900000000, -0.0010943300000000 ] - [ 0.0000546200000000, -0.0000115300000000, -0.0003179100000000 ] - [ -0.0007684000000000, -0.0004128900000000, 0.0000981600000000 ] - [ -0.0000244500000000, -0.0000500900000000, -0.0000301400000000 ] - [ 0.0006439300000000, -0.0007989900000000, 0.0003551100000000 ] - [ 0.0005781300000000, 0.0008190900000000, 0.0004723200000000 ] - [ -0.0002300800000000, 0.0006096900000000, 0.0008398600000000 ] - [ 0.0003981200000000, -0.0000274900000000, -0.0001589100000000 ] - [ 0.0000399100000000, 0.0000859900000000, -0.0002425200000000 ] - [ 0.0001860100000000, -0.0000854200000000, -0.0001052900000000 ] - [ -0.0003778100000000, -0.0005294500000000, 0.0008261600000000 ] - [ 0.0003859200000000, 0.0000290900000000, -0.0001706800000000 ] - [ 0.0003170500000000, -0.0002150100000000, 0.0002013500000000 ] - [ 0.0000117000000000, 0.0003340300000000, -0.0000644200000000 ] - [ 0.0000294200000000, -0.0003581400000000, 0.0000283100000000 ] - [ 0.0001847700000000, 0.0000835100000000, -0.0001006000000000 ] - [ 0.0003452100000000, 0.0002198100000000, 0.0001831600000000 ] - [ -0.0000228200000000, 0.0000527000000000, -0.0000657700000000 ] - [ 0.0000402100000000, -0.0000875900000000, -0.0002230000000000 ] - [ -0.0004265900000000, 0.0001291900000000, -0.0000163300000000 ] - [ -0.0013031800000000, -0.0016392400000000, 0.0006263700000000 ] - [ -0.0880948900000000, -0.2382584300000000, -0.0906887800000000 ] - [ -0.0002739800000000, -0.0002203500000000, 0.0007672700000000 ] - [ -0.0004711900000000, 0.0002078900000000, -0.0000172100000000 ] - [ -0.0002022900000000, 0.0001217800000000, -0.0004557000000000 ] - [ -0.0004065500000000, 0.0001136900000000, -0.0000379500000000 ] - [ 0.0005625400000000, 0.0006560700000000, -0.0014432300000000 ] - [ 0.0004011400000000, -0.0000054000000000, 0.0000699700000000 ] - [ -0.0003620200000000, 0.0001414900000000, 0.0003827800000000 ] - [ -0.0000266000000000, 0.0000596300000000, -0.0006579500000000 ] - [ -0.0006273800000000, -0.0002232800000000, 0.0003508000000000 ] - [ 0.0002945300000000, -0.0006564700000000, 0.0004806900000000 ] - [ 0.0003127300000000, 0.0007325900000000, 0.0002589300000000 ] - [ -0.0005272100000000, 0.0059038300000000, 0.0163386900000000 ] - [ -0.0000162600000000, -0.0000842900000000, -0.0003560600000000 ] - [ -0.0000575900000000, 0.0007616000000000, 0.0006668000000000 ] - [ 0.0002544300000000, -0.0002363400000000, 0.0004108500000000 ] - [ 0.0001464700000000, 0.0004258300000000, -0.0000139800000000 ] - [ 0.0004832900000000, -0.0001745000000000, -0.0008346200000000 ] - [ -0.0004968900000000, 0.0004597700000000, -0.0006201900000000 ] - [ 0.0006930900000000, 0.0012272000000000, 0.0011409400000000 ] - [ -0.0010346700000000, 0.0008510300000000, -0.0000456400000000 ] - [ -0.0054351500000000, 0.0053440300000000, -0.0006236300000000 ] - [ -0.0003220500000000, -0.0034631200000000, -0.0009556700000000 ] - [ -0.0009394000000000, -0.0017642900000000, 0.0056921900000000 ] - [ 0.0001717300000000, -0.0000286600000000, 0.0002665400000000 ] - [ 0.0000661300000000, -0.0005016900000000, 0.0001764200000000 ] - [ -0.0032117300000000, 0.0034427900000000, 0.0011724200000000 ] - [ -0.0033194300000000, 0.0270942100000000, -0.0091130000000000 ] - [ 0.0003627600000000, 0.0005181500000000, -0.0001422500000000 ] - [ 0.0009337700000000, -0.0037716000000000, -0.0004060100000000 ] - [ 0.0005905800000000, 0.0027498800000000, -0.0007539000000000 ] - [ -0.0001473100000000, 0.0003609000000000, 0.0008100100000000 ] - [ 0.0023817600000000, -0.0005315200000000, -0.0044497700000000 ] - [ -0.0006038300000000, -0.0001179800000000, -0.0003625800000000 ] - [ 0.0016673700000000, -0.0004949600000000, -0.0005903000000000 ] - [ 0.0000962300000000, -0.0003538400000000, -0.0000949000000000 ] - [ -0.0002247000000000, -0.0003362400000000, 0.0007091900000000 ] - [ 0.0003672800000000, 0.0004565500000000, 0.0011281400000000 ] - [ -0.0005701600000000, 0.0000036200000000, -0.0003045000000000 ] - [ 0.0000873600000000, 0.0002240600000000, 0.0000839200000000 ] - [ 0.0008134800000000, -0.0004914400000000, 0.0005085800000000 ] - [ 0.0000198000000000, 0.0004982100000000, 0.0005076400000000 ] - [ 0.0000350600000000, -0.0013406900000000, 0.0020104300000000 ] - [ -0.0002463100000000, 0.0000610400000000, 0.0005625100000000 ] - [ 0.0013571700000000, 0.0023309000000000, -0.0016712400000000 ] - [ -0.0001293200000000, 0.0000620900000000, 0.0003161200000000 ] - [ -0.0005169400000000, 0.0001378900000000, -0.0003436500000000 ] - [ -0.0002743600000000, -0.0004631400000000, -0.0001626100000000 ] - [ -0.0001606900000000, -0.0001177800000000, -0.0000206800000000 ] - [ -0.0002396500000000, -0.0001412300000000, 0.0005955300000000 ] - [ 0.0001684600000000, 0.0001994900000000, 0.0002006500000000 ] - [ -0.0004210400000000, 0.0000246100000000, -0.0004941800000000 ] - [ -0.0000312700000000, -0.0002225100000000, -0.0000558900000000 ] - [ -0.0000584900000000, 0.0000606800000000, -0.0001629600000000 ] - [ 0.0002541700000000, 0.0000295700000000, 0.0001354400000000 ] - [ -0.0005585500000000, 0.0001805800000000, 0.0003146900000000 ] - [ -0.0000216200000000, 0.0000540700000000, -0.0005018100000000 ] - [ -0.0004847800000000, -0.0001849400000000, 0.0003933600000000 ] - [ 0.0003323400000000, -0.0006449900000000, 0.0004180400000000 ] - [ 0.0003441100000000, 0.0006565500000000, 0.0003955800000000 ] - [ 0.0000377000000000, 0.0000429200000000, -0.0002194300000000 ] - [ -0.0000538400000000, -0.0000654200000000, -0.0004731900000000 ] - [ 0.0001729100000000, -0.0001765300000000, 0.0000097700000000 ] - [ 0.0001319700000000, -0.0002274700000000, 0.0002043000000000 ] - [ 0.0001142000000000, 0.0004102700000000, -0.0000817600000000 ] - [ 0.0001098200000000, -0.0000232000000000, -0.0000602700000000 ] - [ -0.0005160300000000, -0.0001339500000000, -0.0003506400000000 ] - [ 0.0001515800000000, 0.0001436900000000, -0.0003488900000000 ] - [ -0.0003283800000000, -0.0000194200000000, -0.0002762700000000 ] - [ 0.0001802500000000, 0.0003365200000000, -0.0002916100000000 ] - [ 0.0001745100000000, 0.0001779100000000, -0.0000011100000000 ] - [ 0.0000358400000000, -0.0000432000000000, -0.0002148000000000 ] - [ 0.0002367100000000, -0.0000165500000000, 0.0001995600000000 ] - [ 0.0000527000000000, -0.0005112200000000, 0.0003325500000000 ] - [ 0.0003194500000000, -0.0000910500000000, -0.0002140100000000 ] - [ 0.0001495400000000, -0.0001431200000000, -0.0003512800000000 ] - [ -0.0000338100000000, 0.0002295500000000, -0.0000730500000000 ] - [ -0.0002789900000000, 0.0004656500000000, -0.0001622400000000 ] - [ 0.0003201600000000, 0.0000920300000000, -0.0002177300000000 ] - [ -0.0002531200000000, 0.0003210800000000, 0.0007739900000000 ] - [ -0.0001926900000000, -0.0004589600000000, 0.0001400400000000 ] - [ -0.0004094100000000, -0.0000322400000000, -0.0004757200000000 ] - [ 0.0002002200000000, -0.0000417800000000, -0.0002656500000000 ] - [ 0.0001550400000000, -0.0003943000000000, -0.0000317400000000 ] - [ -0.0000814800000000, -0.0003812300000000, 0.0007650300000000 ] - [ -0.0001916700000000, 0.0004561500000000, 0.0001358400000000 ] - [ 0.0001321700000000, 0.0000250800000000, -0.0000561600000000 ] - [ 0.0001985300000000, 0.0000406200000000, -0.0002613100000000 ] - [ 0.0001696800000000, -0.0003323300000000, -0.0002953100000000 ] - [ 0.0000218000000000, 0.0005004500000000, 0.0003818100000000 ] - [ -0.0001611100000000, 0.0001174900000000, -0.0000196400000000 ] - [ -0.0000631500000000, -0.0000571400000000, -0.0001507600000000 ] - [ -0.0003319700000000, 0.0000176600000000, -0.0002757300000000 ] - [ -0.0002271400000000, 0.0001334800000000, 0.0005461900000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002228800000000, 0.0001131200000000, 0.0001506000000000 ] - [ -0.0000285500000000, -0.0002803800000000, 0.0004396200000000 ] - [ -0.0025237100000000, -0.0017598000000000, 0.0017887100000000 ] - [ -0.0009046800000000, 0.0002956000000000, 0.0000322100000000 ] - [ -0.0000092000000000, 0.0001181100000000, -0.0002973700000000 ] - [ -0.0003408500000000, -0.0002592700000000, 0.0001676900000000 ] - [ -0.0000082800000000, -0.0001187000000000, -0.0002996300000000 ] - [ -0.0003346100000000, 0.0002586200000000, 0.0001663700000000 ] - [ 0.0003808200000000, 0.0016311000000000, 0.0066919900000000 ] - [ 0.0000748000000000, -0.0043419300000000, -0.0138546100000000 ] - [ 0.0000941800000000, 0.0003029800000000, 0.0002860000000000 ] - [ -0.0004435300000000, -0.0002959900000000, -0.0000180500000000 ] - [ 0.0001294100000000, 0.0001525500000000, -0.0003506800000000 ] - [ 0.0001286800000000, -0.0001541800000000, -0.0003469500000000 ] - [ -0.0001407600000000, 0.0002676900000000, 0.0000778400000000 ] - [ 0.0000003700000000, -0.0002322300000000, 0.0001328600000000 ] - [ 0.0009648800000000, 0.0005605900000000, -0.0003885300000000 ] - [ 0.0006371700000000, -0.0008427500000000, 0.0005530200000000 ] - [ 0.0007054300000000, 0.0008405400000000, 0.0002357700000000 ] - [ -0.0001783400000000, 0.0006040000000000, 0.0010722100000000 ] - [ -0.0020439300000000, -0.0022509200000000, -0.0048138300000000 ] - [ -0.0016174400000000, 0.0037395100000000, -0.0009712000000000 ] - [ -0.0005644000000000, 0.0002097100000000, 0.0041076300000000 ] - [ -0.0004420500000000, -0.0004373700000000, 0.0005165400000000 ] - [ -0.0002794600000000, -0.0002856200000000, 0.0004944500000000 ] - [ -0.0032165600000000, -0.0010605000000000, -0.0025837600000000 ] - [ -0.0003012500000000, 0.0003470000000000, 0.0003286000000000 ] - [ 0.0005792600000000, -0.0002476300000000, -0.0002677600000000 ] - [ -0.0806908100000000, -0.1871681400000000, -0.0683898900000000 ] - [ 0.0007649900000000, 0.0001206200000000, 0.0014663300000000 ] - [ -0.0000743100000000, 0.0001130300000000, 0.0002209500000000 ] - [ 0.0008496200000000, 0.0001844700000000, -0.0005197900000000 ] - [ 0.0000026100000000, -0.0000506500000000, -0.0000644800000000 ] - [ 0.0006165900000000, -0.0008180400000000, 0.0004737000000000 ] - [ 0.0006819100000000, 0.0007974400000000, 0.0003556500000000 ] - [ -0.0003401900000000, 0.0005426900000000, 0.0008244200000000 ] - [ 0.0004334000000000, -0.0000229400000000, -0.0001722300000000 ] - [ 0.0000707700000000, 0.0000839700000000, -0.0002234200000000 ] - [ 0.0002147000000000, -0.0000750200000000, -0.0000958900000000 ] - [ -0.0001939700000000, -0.0006222600000000, 0.0008381300000000 ] - [ 0.0004456000000000, 0.0000211800000000, -0.0001604200000000 ] - [ 0.0003771500000000, -0.0002190400000000, 0.0001767600000000 ] - [ 0.0000581100000000, 0.0003537100000000, 0.0000207700000000 ] - [ 0.0000406200000000, -0.0003301900000000, -0.0000705700000000 ] - [ 0.0002161300000000, 0.0000764800000000, -0.0001002400000000 ] - [ 0.0003493100000000, 0.0002140300000000, 0.0001945800000000 ] - [ 0.0000010300000000, 0.0000478500000000, -0.0000289300000000 ] - [ 0.0000705700000000, -0.0000827300000000, -0.0002427500000000 ] - [ -0.0006189700000000, 0.0001409300000000, -0.0006756100000000 ] - [ 0.0007261100000000, 0.0006935700000000, -0.0009457200000000 ] - [ 0.0825519300000000, 0.2278465200000000, 0.0865802300000000 ] - [ -0.0002011100000000, -0.0000504600000000, 0.0003772300000000 ] - [ 0.0007607900000000, 0.0002308400000000, 0.0004263900000000 ] - [ -0.0006403600000000, -0.0000652700000000, -0.0005181200000000 ] - [ 0.0003214200000000, -0.0005539700000000, -0.0000832000000000 ] - [ -0.0006824100000000, -0.0005282300000000, 0.0011334500000000 ] - [ 0.0000797900000000, 0.0000520100000000, 0.0002684900000000 ] - [ -0.0006959400000000, 0.0002315300000000, 0.0003224000000000 ] - [ -0.0000674000000000, 0.0000567500000000, -0.0003180500000000 ] - [ -0.0004311900000000, -0.0001499200000000, 0.0003540400000000 ] - [ 0.0003716400000000, -0.0006467000000000, 0.0003312100000000 ] - [ 0.0003529300000000, 0.0005719100000000, 0.0005505400000000 ] - [ 0.0005554500000000, -0.0057840600000000, -0.0165033700000000 ] - [ -0.0000778700000000, -0.0000321300000000, -0.0006169300000000 ] - [ 0.0003947100000000, -0.0011222800000000, -0.0006420100000000 ] - [ 0.0000261900000000, -0.0002029000000000, 0.0000016100000000 ] - [ 0.0001139000000000, 0.0003765000000000, -0.0001007000000000 ] - [ -0.0002656800000000, 0.0001184400000000, 0.0007071700000000 ] - [ -0.0005583200000000, -0.0007301800000000, -0.0000739400000000 ] - [ -0.0004125900000000, -0.0009411600000000, -0.0018479500000000 ] - [ 0.0003532800000000, -0.0008768600000000, -0.0005041700000000 ] - [ 0.0058324900000000, -0.0046990400000000, 0.0000037300000000 ] - [ 0.0005680300000000, 0.0038372800000000, 0.0008730300000000 ] - [ 0.0010065300000000, 0.0017017400000000, -0.0061860500000000 ] - [ 0.0003069100000000, -0.0000184700000000, 0.0000741800000000 ] - [ -0.0000013700000000, -0.0005134400000000, 0.0005499800000000 ] - [ 0.0038601700000000, -0.0036508800000000, -0.0016067200000000 ] - [ 0.0035908600000000, -0.0270220200000000, 0.0083613100000000 ] - [ -0.0004506600000000, -0.0000781300000000, 0.0000149100000000 ] - [ -0.0014370100000000, 0.0046916400000000, 0.0001547000000000 ] - [ 0.0000540200000000, -0.0025409900000000, 0.0003508100000000 ] - [ -0.0002198600000000, 0.0003370700000000, 0.0007176700000000 ] - [ -0.0028162500000000, -0.0004566900000000, 0.0047785900000000 ] - [ -0.0002400900000000, 0.0000628200000000, -0.0006128800000000 ] - [ -0.0012575600000000, 0.0004241500000000, 0.0000663600000000 ] - [ 0.0001650000000000, -0.0004487400000000, -0.0000201100000000 ] - [ -0.0001416600000000, -0.0003627100000000, 0.0008183400000000 ] - [ -0.0007538100000000, 0.0004610600000000, -0.0008548400000000 ] - [ 0.0007789700000000, 0.0000451200000000, 0.0001774600000000 ] - [ 0.0002971300000000, -0.0001358100000000, -0.0006056100000000 ] - [ -0.0004724900000000, -0.0001725700000000, -0.0010989100000000 ] - [ 0.0000444700000000, 0.0005168200000000, 0.0002176100000000 ] - [ -0.0003629800000000, 0.0015822000000000, -0.0020579000000000 ] - [ 0.0001153900000000, -0.0001804600000000, -0.0008651900000000 ] - [ -0.0020560300000000, -0.0023297400000000, 0.0011115400000000 ] - [ -0.0003473500000000, 0.0002082800000000, 0.0008288000000000 ] - [ -0.0005271200000000, 0.0001326700000000, -0.0003493300000000 ] - [ -0.0002958900000000, -0.0004747600000000, -0.0001587700000000 ] - [ -0.0001700900000000, -0.0001178800000000, -0.0000202500000000 ] - [ -0.0002357100000000, -0.0001294900000000, 0.0005484400000000 ] - [ 0.0001115700000000, 0.0002390200000000, 0.0002108200000000 ] - [ -0.0004208500000000, 0.0000300500000000, -0.0004812600000000 ] - [ -0.0000518100000000, -0.0002193000000000, -0.0000669400000000 ] - [ -0.0000721000000000, 0.0000597900000000, -0.0001491500000000 ] - [ 0.0002255100000000, 0.0000173300000000, 0.0002040500000000 ] - [ -0.0004998300000000, 0.0001928300000000, 0.0003897500000000 ] - [ -0.0000722400000000, 0.0000621200000000, -0.0004724800000000 ] - [ -0.0005723300000000, -0.0001882400000000, 0.0003121200000000 ] - [ 0.0003336200000000, -0.0006586400000000, 0.0003927800000000 ] - [ 0.0003220000000000, 0.0006469700000000, 0.0004150200000000 ] - [ 0.0000259200000000, 0.0000430700000000, -0.0002132600000000 ] - [ -0.0000398700000000, -0.0000510500000000, -0.0005010100000000 ] - [ 0.0001615700000000, -0.0001839400000000, -0.0000012100000000 ] - [ 0.0001478600000000, -0.0002117900000000, 0.0002075000000000 ] - [ 0.0001460500000000, 0.0003920400000000, -0.0000331400000000 ] - [ 0.0001034500000000, -0.0000249500000000, -0.0000636000000000 ] - [ -0.0005280100000000, -0.0001368000000000, -0.0003428600000000 ] - [ 0.0001277700000000, 0.0001416800000000, -0.0003580800000000 ] - [ -0.0003496400000000, -0.0000106100000000, -0.0002736700000000 ] - [ 0.0001494900000000, 0.0003259800000000, -0.0003018000000000 ] - [ 0.0001597700000000, 0.0001827700000000, 0.0000096800000000 ] - [ 0.0000275400000000, -0.0000426900000000, -0.0002172600000000 ] - [ 0.0002431100000000, -0.0000303600000000, 0.0001399300000000 ] - [ 0.0000117400000000, -0.0005039000000000, 0.0003929000000000 ] - [ 0.0003034800000000, -0.0000862700000000, -0.0002186500000000 ] - [ 0.0001295100000000, -0.0001424700000000, -0.0003556200000000 ] - [ -0.0000487200000000, 0.0002121700000000, -0.0000506100000000 ] - [ -0.0002911700000000, 0.0004719100000000, -0.0001591000000000 ] - [ 0.0003028600000000, 0.0000852100000000, -0.0002151500000000 ] - [ -0.0001147600000000, 0.0003768200000000, 0.0007538200000000 ] - [ -0.0002042700000000, -0.0004597200000000, 0.0001393700000000 ] - [ -0.0004326900000000, -0.0000223600000000, -0.0004997100000000 ] - [ 0.0001859000000000, -0.0000457800000000, -0.0002580700000000 ] - [ 0.0001055700000000, -0.0004080700000000, -0.0000826300000000 ] - [ -0.0002846500000000, -0.0003175700000000, 0.0007623900000000 ] - [ -0.0002055000000000, 0.0004622700000000, 0.0001433900000000 ] - [ 0.0000818300000000, 0.0000234800000000, -0.0000682800000000 ] - [ 0.0001873700000000, 0.0000467500000000, -0.0002628100000000 ] - [ 0.0001601400000000, -0.0003304100000000, -0.0002976600000000 ] - [ 0.0000423200000000, 0.0005143100000000, 0.0003439600000000 ] - [ -0.0001703900000000, 0.0001185500000000, -0.0000215500000000 ] - [ -0.0000674400000000, -0.0000634200000000, -0.0001610100000000 ] - [ -0.0003460200000000, 0.0000121100000000, -0.0002742600000000 ] - [ -0.0002480600000000, 0.0001368700000000, 0.0005970900000000 ]- atom: 51 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0004081100000000, 0.0002328300000000, -0.0015796600000000 ] - [ -0.0011790900000000, -0.0005347400000000, -0.0003984600000000 ] - [ -0.0037319200000000, -0.0032533700000000, 0.0086512700000000 ] - [ 0.0005496700000000, 0.0001716900000000, 0.0002255900000000 ] - [ -0.0000253500000000, 0.0001182600000000, -0.0002991900000000 ] - [ -0.0003403500000000, -0.0002588700000000, 0.0001713900000000 ] - [ -0.0000317200000000, -0.0001190600000000, -0.0002990100000000 ] - [ -0.0003675000000000, 0.0002610900000000, 0.0001571800000000 ] - [ 0.0003731300000000, -0.0005643000000000, -0.0104474300000000 ] - [ 0.0006944700000000, 0.0144313100000000, 0.0379083700000000 ] - [ -0.0010706500000000, 0.0004586000000000, 0.0002457600000000 ] - [ 0.0005798500000000, -0.0001557800000000, -0.0000156000000000 ] - [ 0.0000658100000000, 0.0001485100000000, -0.0003550700000000 ] - [ 0.0000660700000000, -0.0001482400000000, -0.0003479300000000 ] - [ 0.0000572300000000, 0.0001790200000000, 0.0003059100000000 ] - [ -0.0003346400000000, -0.0003387500000000, -0.0001058100000000 ] - [ 0.0003971500000000, 0.0000541200000000, 0.0011983500000000 ] - [ 0.0004709500000000, -0.0008214100000000, 0.0000346200000000 ] - [ 0.0007785100000000, 0.0008242700000000, 0.0007512500000000 ] - [ -0.0002732400000000, 0.0006709900000000, 0.0000350700000000 ] - [ -0.0042726200000000, 0.0040786400000000, 0.0073780700000000 ] - [ 0.0038614200000000, 0.0009806200000000, -0.0025690500000000 ] - [ 0.0001088800000000, -0.0006080800000000, -0.0077202300000000 ] - [ -0.0003141300000000, -0.0006000400000000, 0.0017159000000000 ] - [ 0.0022012700000000, 0.0000497800000000, -0.0028532400000000 ] - [ 0.0013003100000000, 0.0010565300000000, 0.0058427700000000 ] - [ 0.0013292900000000, -0.0000694500000000, -0.0008665900000000 ] - [ -0.0016723100000000, -0.0009229500000000, 0.0006141100000000 ] - [ 0.0253895900000000, 0.0472095500000000, 0.0538917400000000 ] - [ -0.0003443000000000, 0.0004997700000000, -0.0038153200000000 ] - [ -0.0001287200000000, -0.0000469800000000, -0.0010027100000000 ] - [ -0.0044930000000000, 0.0013739100000000, -0.0060501000000000 ] - [ -0.0000811600000000, -0.0000523000000000, -0.0000049100000000 ] - [ 0.0007629400000000, -0.0007603400000000, 0.0003325400000000 ] - [ 0.0004162100000000, 0.0008550100000000, 0.0004832500000000 ] - [ -0.0002166400000000, 0.0006016800000000, 0.0007247100000000 ] - [ 0.0003668900000000, -0.0000277300000000, -0.0001315400000000 ] - [ 0.0000039000000000, 0.0000943300000000, -0.0002395800000000 ] - [ 0.0001644400000000, -0.0000918900000000, -0.0001158800000000 ] - [ -0.0004210800000000, -0.0005290400000000, 0.0009480500000000 ] - [ 0.0003481600000000, 0.0000357800000000, -0.0001928600000000 ] - [ 0.0003014200000000, -0.0002163300000000, 0.0002268900000000 ] - [ -0.0000779900000000, 0.0003215500000000, -0.0000715700000000 ] - [ 0.0000654600000000, -0.0003646800000000, 0.0000346000000000 ] - [ 0.0001653500000000, 0.0000876400000000, -0.0000980200000000 ] - [ 0.0003204000000000, 0.0002280500000000, 0.0001624500000000 ] - [ -0.0000103000000000, 0.0000520500000000, -0.0000971500000000 ] - [ 0.0000311500000000, -0.0000831300000000, -0.0002285800000000 ] - [ -0.0002235200000000, 0.0002222200000000, 0.0003940600000000 ] - [ -0.0015425300000000, -0.0013113700000000, 0.0012337200000000 ] - [ -0.0183686700000000, -0.0872538800000000, -0.1347787700000000 ] - [ -0.0004391100000000, -0.0002375700000000, 0.0010980900000000 ] - [ -0.0000202500000000, -0.0001876600000000, -0.0006372900000000 ] - [ 0.0000090700000000, -0.0004011500000000, -0.0014173200000000 ] - [ -0.0016834200000000, 0.0009053300000000, 0.0002103500000000 ] - [ 0.0007507900000000, 0.0004620000000000, -0.0023145100000000 ] - [ 0.0003053300000000, 0.0000841300000000, -0.0001696700000000 ] - [ 0.0001016200000000, 0.0000052800000000, 0.0005331600000000 ] - [ -0.0002113600000000, -0.0000153000000000, -0.0006196200000000 ] - [ -0.0011281600000000, -0.0003343300000000, 0.0001990500000000 ] - [ 0.0004894400000000, -0.0005197200000000, 0.0006541100000000 ] - [ 0.0001959500000000, 0.0007659500000000, 0.0002278300000000 ] - [ 0.0028067400000000, 0.0255611500000000, 0.0243471100000000 ] - [ 0.0000969800000000, -0.0001198600000000, -0.0002691900000000 ] - [ -0.0005703900000000, 0.0011164100000000, 0.0037951400000000 ] - [ -0.0000205800000000, -0.0005075400000000, 0.0011655000000000 ] - [ 0.0000926300000000, 0.0004997300000000, 0.0001314400000000 ] - [ 0.0027216700000000, -0.0004497600000000, -0.0004308000000000 ] - [ -0.0012417900000000, -0.0001145100000000, -0.0013979100000000 ] - [ 0.0012484500000000, 0.0016974500000000, 0.0022683100000000 ] - [ -0.0019367100000000, 0.0010577000000000, 0.0013782200000000 ] - [ -0.0039698900000000, 0.0023988100000000, -0.0034572800000000 ] - [ 0.0077736500000000, -0.0004990700000000, 0.0034342200000000 ] - [ -0.0011270100000000, -0.0013897700000000, 0.0067782300000000 ] - [ 0.0001300100000000, -0.0000080200000000, 0.0004722600000000 ] - [ 0.0001731100000000, -0.0004908500000000, -0.0000999100000000 ] - [ -0.0035485500000000, 0.0032966500000000, 0.0022025500000000 ] - [ -0.0059595800000000, 0.0025750600000000, -0.0120825500000000 ] - [ 0.0017365100000000, 0.0013858100000000, 0.0002164200000000 ] - [ 0.0095243600000000, -0.0050835500000000, 0.0059078100000000 ] - [ 0.0031516400000000, 0.0001652300000000, 0.0029304400000000 ] - [ -0.0001824800000000, 0.0003312500000000, 0.0009078800000000 ] - [ -0.0111846400000000, -0.0087750200000000, 0.0074242600000000 ] - [ -0.0007267400000000, -0.0002543800000000, 0.0000146000000000 ] - [ -0.0003947700000000, 0.0001094800000000, -0.0017150200000000 ] - [ 0.0001766900000000, -0.0002704600000000, -0.0002473000000000 ] - [ -0.0001479500000000, -0.0003792100000000, 0.0006076500000000 ] - [ 0.0000571200000000, 0.0009810100000000, 0.0030867600000000 ] - [ -0.0011270300000000, -0.0000348400000000, -0.0001642500000000 ] - [ -0.0000069300000000, 0.0004291000000000, 0.0006044000000000 ] - [ 0.0017145500000000, -0.0009345300000000, 0.0018802100000000 ] - [ -0.0000747700000000, 0.0004852200000000, 0.0007964000000000 ] - [ 0.0002835900000000, -0.0019066300000000, 0.0032434400000000 ] - [ -0.0007208100000000, 0.0002952800000000, 0.0023994700000000 ] - [ 0.0026835600000000, 0.0022065200000000, -0.0019270900000000 ] - [ 0.0001728900000000, 0.0000733900000000, 0.0000280200000000 ] - [ -0.0005174700000000, 0.0001411500000000, -0.0003374500000000 ] - [ -0.0002587400000000, -0.0004547000000000, -0.0001617800000000 ] - [ -0.0001530700000000, -0.0001176800000000, -0.0000246900000000 ] - [ -0.0002209300000000, -0.0001519800000000, 0.0006251700000000 ] - [ 0.0001811600000000, 0.0001946100000000, 0.0001866200000000 ] - [ -0.0004097100000000, 0.0000156500000000, -0.0005157000000000 ] - [ 0.0000082300000000, -0.0002428300000000, -0.0000759900000000 ] - [ -0.0000569300000000, 0.0000661300000000, -0.0001759700000000 ] - [ 0.0002963000000000, 0.0000330700000000, 0.0000735800000000 ] - [ -0.0006200000000000, 0.0001844100000000, 0.0003175000000000 ] - [ 0.0000481900000000, 0.0000588200000000, -0.0005012800000000 ] - [ -0.0003599500000000, -0.0001837500000000, 0.0004172900000000 ] - [ 0.0003169100000000, -0.0006458200000000, 0.0003936200000000 ] - [ 0.0003728600000000, 0.0006497400000000, 0.0004225600000000 ] - [ 0.0000470800000000, 0.0000435500000000, -0.0002194900000000 ] - [ -0.0001087000000000, -0.0000708400000000, -0.0004666500000000 ] - [ 0.0001848100000000, -0.0001709600000000, 0.0000125500000000 ] - [ 0.0001384400000000, -0.0002236900000000, 0.0002145000000000 ] - [ 0.0000698000000000, 0.0004502000000000, -0.0000232700000000 ] - [ 0.0001023200000000, -0.0000206800000000, -0.0000672000000000 ] - [ -0.0004983700000000, -0.0001329000000000, -0.0003584400000000 ] - [ 0.0001700100000000, 0.0001438200000000, -0.0003417800000000 ] - [ -0.0003131400000000, -0.0000255900000000, -0.0002722700000000 ] - [ 0.0001908000000000, 0.0003390600000000, -0.0002928900000000 ] - [ 0.0001808400000000, 0.0001729800000000, -0.0000010600000000 ] - [ 0.0000433500000000, -0.0000437900000000, -0.0002136800000000 ] - [ 0.0002071000000000, -0.0000112800000000, 0.0002553200000000 ] - [ 0.0000145400000000, -0.0005706800000000, 0.0002516500000000 ] - [ 0.0003339200000000, -0.0000964400000000, -0.0002116300000000 ] - [ 0.0001635400000000, -0.0001433900000000, -0.0003503300000000 ] - [ -0.0000401900000000, 0.0002263000000000, -0.0000669200000000 ] - [ -0.0002691000000000, 0.0004597700000000, -0.0001687500000000 ] - [ 0.0003278800000000, 0.0000947100000000, -0.0002136900000000 ] - [ -0.0002656900000000, 0.0003250600000000, 0.0008553100000000 ] - [ -0.0001815400000000, -0.0004558300000000, 0.0001317900000000 ] - [ -0.0004048100000000, -0.0000413800000000, -0.0004470800000000 ] - [ 0.0002208000000000, -0.0000345900000000, -0.0002754500000000 ] - [ 0.0002246800000000, -0.0003319300000000, -0.0000956500000000 ] - [ -0.0000684200000000, -0.0004048400000000, 0.0006375500000000 ] - [ -0.0001868500000000, 0.0004547600000000, 0.0001345200000000 ] - [ 0.0001722800000000, 0.0000244700000000, -0.0000354100000000 ] - [ 0.0001967700000000, 0.0000390100000000, -0.0002561900000000 ] - [ 0.0001861000000000, -0.0003414000000000, -0.0002852200000000 ] - [ 0.0000758200000000, 0.0004392300000000, 0.0004669000000000 ] - [ -0.0001546100000000, 0.0001167300000000, -0.0000183300000000 ] - [ -0.0000519500000000, -0.0000497300000000, -0.0001438400000000 ] - [ -0.0003183000000000, 0.0000231100000000, -0.0002822100000000 ] - [ -0.0002298600000000, 0.0001310500000000, 0.0005268900000000 ]- atom: 51 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0003854400000000, 0.0000044000000000, 0.0009904000000000 ] - [ 0.0005018800000000, 0.0000175500000000, 0.0007325400000000 ] - [ 0.0033997100000000, 0.0027846700000000, -0.0089553100000000 ] - [ -0.0012392700000000, 0.0003475400000000, 0.0001103700000000 ] - [ -0.0000042500000000, 0.0001185900000000, -0.0002985700000000 ] - [ -0.0003453500000000, -0.0002598100000000, 0.0001607300000000 ] - [ 0.0000020600000000, -0.0001182600000000, -0.0002985300000000 ] - [ -0.0003179900000000, 0.0002570200000000, 0.0001751400000000 ] - [ -0.0001605500000000, 0.0008758700000000, 0.0098085800000000 ] - [ -0.0004692600000000, -0.0159074500000000, -0.0403584600000000 ] - [ 0.0008875200000000, 0.0000492700000000, -0.0000492900000000 ] - [ -0.0007664900000000, -0.0003538500000000, 0.0002186900000000 ] - [ 0.0001534900000000, 0.0001549800000000, -0.0003447700000000 ] - [ 0.0001533400000000, -0.0001552500000000, -0.0003520900000000 ] - [ -0.0002444400000000, 0.0003307700000000, -0.0001084400000000 ] - [ 0.0001498300000000, -0.0001700600000000, 0.0003079000000000 ] - [ -0.0004304700000000, -0.0001613600000000, -0.0013032700000000 ] - [ 0.0007906800000000, -0.0007953500000000, 0.0007937900000000 ] - [ 0.0004778000000000, 0.0007911500000000, 0.0000762800000000 ] - [ -0.0003003200000000, 0.0004776000000000, 0.0016366600000000 ] - [ 0.0050857000000000, -0.0041459100000000, -0.0078352400000000 ] - [ -0.0037472600000000, -0.0007692900000000, 0.0020668700000000 ] - [ 0.0002827800000000, 0.0004504100000000, 0.0075822900000000 ] - [ -0.0002532800000000, -0.0005522000000000, -0.0000580000000000 ] - [ -0.0013706300000000, -0.0000071300000000, 0.0025404700000000 ] - [ -0.0005867000000000, -0.0014962100000000, -0.0054996200000000 ] - [ -0.0012709300000000, 0.0007631300000000, 0.0008253200000000 ] - [ 0.0017523400000000, 0.0002338100000000, -0.0006554100000000 ] - [ -0.0247131900000000, -0.0464349900000000, -0.0544869500000000 ] - [ 0.0010372600000000, -0.0000646800000000, 0.0042247500000000 ] - [ 0.0001111600000000, 0.0001478500000000, 0.0009104800000000 ] - [ 0.0046322900000000, -0.0015349100000000, 0.0056316300000000 ] - [ 0.0000583500000000, -0.0000485300000000, -0.0000920900000000 ] - [ 0.0004943800000000, -0.0008562600000000, 0.0004950500000000 ] - [ 0.0008448000000000, 0.0007609100000000, 0.0003448100000000 ] - [ -0.0003538100000000, 0.0005489700000000, 0.0009415900000000 ] - [ 0.0004610500000000, -0.0000228100000000, -0.0001997200000000 ] - [ 0.0001047600000000, 0.0000744900000000, -0.0002272600000000 ] - [ 0.0002350300000000, -0.0000687800000000, -0.0000858000000000 ] - [ -0.0001501300000000, -0.0006209600000000, 0.0007160700000000 ] - [ 0.0004796000000000, 0.0000146900000000, -0.0001375200000000 ] - [ 0.0003929600000000, -0.0002211500000000, 0.0001511100000000 ] - [ 0.0001472100000000, 0.0003698200000000, 0.0000273600000000 ] - [ 0.0000028100000000, -0.0003266600000000, -0.0000780300000000 ] - [ 0.0002342500000000, 0.0000728700000000, -0.0001034800000000 ] - [ 0.0003741900000000, 0.0002094000000000, 0.0002154900000000 ] - [ -0.0000135800000000, 0.0000488600000000, 0.0000006300000000 ] - [ 0.0000773800000000, -0.0000859600000000, -0.0002382300000000 ] - [ -0.0008246200000000, 0.0000471900000000, -0.0010924500000000 ] - [ 0.0009822800000000, 0.0003834500000000, -0.0015740500000000 ] - [ 0.0179965600000000, 0.0874254100000000, 0.1363348000000000 ] - [ -0.0000331800000000, -0.0000349100000000, 0.0000453800000000 ] - [ 0.0002956600000000, 0.0006327000000000, 0.0010592800000000 ] - [ -0.0008539400000000, 0.0004594300000000, 0.0004544800000000 ] - [ 0.0016165700000000, -0.0013590400000000, -0.0003354200000000 ] - [ -0.0008944000000000, -0.0003496000000000, 0.0020125800000000 ] - [ 0.0001746100000000, -0.0000366900000000, 0.0005091700000000 ] - [ -0.0011628600000000, 0.0003716800000000, 0.0001689800000000 ] - [ 0.0001187200000000, 0.0001324800000000, -0.0003550000000000 ] - [ 0.0000769800000000, -0.0000387800000000, 0.0005078200000000 ] - [ 0.0001752000000000, -0.0007842700000000, 0.0001574300000000 ] - [ 0.0004700300000000, 0.0005387400000000, 0.0005825000000000 ] - [ -0.0028034200000000, -0.0249596700000000, -0.0243550900000000 ] - [ -0.0001935600000000, 0.0000039100000000, -0.0007038800000000 ] - [ 0.0009148100000000, -0.0014888500000000, -0.0038132200000000 ] - [ 0.0003046200000000, 0.0000721600000000, -0.0007627600000000 ] - [ 0.0001696500000000, 0.0003015400000000, -0.0002462200000000 ] - [ -0.0025330600000000, 0.0004067200000000, 0.0003242500000000 ] - [ 0.0002061800000000, -0.0001562500000000, 0.0007062100000000 ] - [ -0.0009795800000000, -0.0014227400000000, -0.0029977200000000 ] - [ 0.0012609800000000, -0.0010881000000000, -0.0019360600000000 ] - [ 0.0043168500000000, -0.0017577900000000, 0.0029120300000000 ] - [ -0.0073831100000000, 0.0008889300000000, -0.0034322500000000 ] - [ 0.0012048400000000, 0.0013181700000000, -0.0072834800000000 ] - [ 0.0003473600000000, -0.0000409000000000, -0.0001348200000000 ] - [ -0.0001101500000000, -0.0005243700000000, 0.0008266700000000 ] - [ 0.0042305400000000, -0.0035344400000000, -0.0026696900000000 ] - [ 0.0062710800000000, -0.0030709100000000, 0.0115243400000000 ] - [ -0.0018257400000000, -0.0009479300000000, -0.0003440800000000 ] - [ -0.0102635900000000, 0.0061067200000000, -0.0063234300000000 ] - [ -0.0025376800000000, -0.0000072700000000, -0.0033859700000000 ] - [ -0.0001834100000000, 0.0003677500000000, 0.0006158000000000 ] - [ 0.0109275200000000, 0.0079225800000000, -0.0072092700000000 ] - [ -0.0001162200000000, 0.0002023900000000, -0.0009931000000000 ] - [ 0.0007993100000000, -0.0001911600000000, 0.0011986400000000 ] - [ 0.0000840600000000, -0.0005327300000000, 0.0001361600000000 ] - [ -0.0002197100000000, -0.0003188700000000, 0.0009180700000000 ] - [ -0.0004507000000000, -0.0000687300000000, -0.0028303700000000 ] - [ 0.0013419600000000, 0.0000832600000000, 0.0000379600000000 ] - [ 0.0003906600000000, -0.0003425200000000, -0.0011332500000000 ] - [ -0.0013899700000000, 0.0002757000000000, -0.0024896400000000 ] - [ 0.0001409600000000, 0.0005303600000000, -0.0000760900000000 ] - [ -0.0006177300000000, 0.0021556800000000, -0.0033095300000000 ] - [ 0.0005982700000000, -0.0004184200000000, -0.0027331700000000 ] - [ -0.0034131700000000, -0.0022179100000000, 0.0014113300000000 ] - [ -0.0006508300000000, 0.0001971300000000, 0.0011179100000000 ] - [ -0.0005262400000000, 0.0001284800000000, -0.0003564700000000 ] - [ -0.0003105400000000, -0.0004825700000000, -0.0001597400000000 ] - [ -0.0001767200000000, -0.0001170300000000, -0.0000176000000000 ] - [ -0.0002538200000000, -0.0001201900000000, 0.0005205800000000 ] - [ 0.0000976200000000, 0.0002452300000000, 0.0002265700000000 ] - [ -0.0004331900000000, 0.0000385900000000, -0.0004583300000000 ] - [ -0.0000895100000000, -0.0002003400000000, -0.0000486400000000 ] - [ -0.0000733500000000, 0.0000553100000000, -0.0001385500000000 ] - [ 0.0001814200000000, 0.0000154600000000, 0.0002651100000000 ] - [ -0.0004368200000000, 0.0001907800000000, 0.0003865900000000 ] - [ -0.0001437100000000, 0.0000574300000000, -0.0004719100000000 ] - [ -0.0006977400000000, -0.0001910600000000, 0.0002873200000000 ] - [ 0.0003484600000000, -0.0006583700000000, 0.0004182900000000 ] - [ 0.0002920100000000, 0.0006547800000000, 0.0003880700000000 ] - [ 0.0000185800000000, 0.0000431300000000, -0.0002125700000000 ] - [ 0.0000149700000000, -0.0000457000000000, -0.0005061600000000 ] - [ 0.0001499200000000, -0.0001881300000000, -0.0000028500000000 ] - [ 0.0001401600000000, -0.0002162900000000, 0.0001987400000000 ] - [ 0.0001920200000000, 0.0003517800000000, -0.0000904000000000 ] - [ 0.0001109200000000, -0.0000261600000000, -0.0000548700000000 ] - [ -0.0005456500000000, -0.0001367200000000, -0.0003358200000000 ] - [ 0.0001113700000000, 0.0001415600000000, -0.0003652900000000 ] - [ -0.0003627800000000, -0.0000048600000000, -0.0002773300000000 ] - [ 0.0001398600000000, 0.0003252000000000, -0.0003000500000000 ] - [ 0.0001537500000000, 0.0001865100000000, 0.0000108500000000 ] - [ 0.0000220900000000, -0.0000426000000000, -0.0002177800000000 ] - [ 0.0002717100000000, -0.0000370900000000, 0.0000822400000000 ] - [ 0.0000505900000000, -0.0004443400000000, 0.0004726000000000 ] - [ 0.0002894600000000, -0.0000813200000000, -0.0002190900000000 ] - [ 0.0001174700000000, -0.0001419900000000, -0.0003566900000000 ] - [ -0.0000402400000000, 0.0002170700000000, -0.0000586700000000 ] - [ -0.0003001000000000, 0.0004774200000000, -0.0001526200000000 ] - [ 0.0002956600000000, 0.0000831100000000, -0.0002172100000000 ] - [ -0.0001017000000000, 0.0003732900000000, 0.0006689200000000 ] - [ -0.0002159500000000, -0.0004624200000000, 0.0001449100000000 ] - [ -0.0004380300000000, -0.0000123700000000, -0.0005275400000000 ] - [ 0.0001652200000000, -0.0000527400000000, -0.0002484800000000 ] - [ 0.0000364100000000, -0.0004708500000000, -0.0000164900000000 ] - [ -0.0002977100000000, -0.0002936500000000, 0.0008881800000000 ] - [ -0.0002108200000000, 0.0004634200000000, 0.0001419600000000 ] - [ 0.0000412000000000, 0.0000229700000000, -0.0000876100000000 ] - [ 0.0001894100000000, 0.0000482000000000, -0.0002683300000000 ] - [ 0.0001446400000000, -0.0003228800000000, -0.0003074000000000 ] - [ -0.0000117100000000, 0.0005767200000000, 0.0002561600000000 ] - [ -0.0001758300000000, 0.0001184900000000, -0.0000243000000000 ] - [ -0.0000784200000000, -0.0000717100000000, -0.0001705400000000 ] - [ -0.0003575900000000, 0.0000072900000000, -0.0002672400000000 ] - [ -0.0002445400000000, 0.0001411300000000, 0.0006187700000000 ]- atom: 52 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0004491600000000, 0.0001414000000000, -0.0002428400000000 ] - [ -0.0006146300000000, -0.0002771200000000, 0.0001556000000000 ] - [ -0.0002104100000000, -0.0001329100000000, -0.0003376400000000 ] - [ -0.0005845500000000, 0.0002789400000000, 0.0000942200000000 ] - [ -0.0003833900000000, 0.0001246200000000, -0.0003417600000000 ] - [ -0.0006968000000000, -0.0002876400000000, -0.0000127100000000 ] - [ -0.0002839100000000, -0.0001208600000000, -0.0002644500000000 ] - [ -0.0004886100000000, 0.0002611500000000, 0.0002713400000000 ] - [ -0.0009729700000000, -0.0000994700000000, -0.0012773200000000 ] - [ -0.0006828600000000, -0.0002968400000000, 0.0004735900000000 ] - [ -0.0011451000000000, 0.0003095200000000, 0.0001121400000000 ] - [ -0.0012086800000000, -0.0003117400000000, 0.0000751200000000 ] - [ -0.0009653000000000, 0.0000760900000000, -0.0003368000000000 ] - [ -0.0008932600000000, -0.0000731500000000, -0.0004207700000000 ] - [ -0.0007921900000000, 0.0006548200000000, -0.0016085400000000 ] - [ -0.0007535300000000, -0.0000117600000000, 0.0023203000000000 ] - [ -0.0007425200000000, -0.0000962200000000, -0.0001144000000000 ] - [ -0.0001545500000000, -0.0007395500000000, 0.0003310900000000 ] - [ -0.0001308800000000, 0.0007464600000000, 0.0002993400000000 ] - [ 0.0063071900000000, 0.0044260100000000, 0.0091169500000000 ] - [ -0.0007209000000000, -0.0001340300000000, 0.0000412000000000 ] - [ -0.0015661700000000, 0.0024111200000000, 0.0045037400000000 ] - [ -0.0021063800000000, -0.0009171600000000, -0.0011034100000000 ] - [ 0.0037066000000000, -0.0022751300000000, -0.0001009900000000 ] - [ -0.0010714000000000, 0.0002454200000000, -0.0003152600000000 ] - [ 0.0022156900000000, -0.0011562800000000, 0.0011924700000000 ] - [ 0.0337421200000000, -0.0083801600000000, 0.0084719000000000 ] - [ 0.0044033200000000, -0.0002458700000000, -0.0002847900000000 ] - [ 0.0001159400000000, 0.0002485200000000, 0.0001580800000000 ] - [ 0.0056801600000000, 0.0028740000000000, -0.0058826200000000 ] - [ -0.0008452500000000, 0.0001066400000000, -0.0000930400000000 ] - [ 0.0020623400000000, 0.0005629300000000, -0.0020905800000000 ] - [ -0.0001923800000000, -0.0000814600000000, -0.0001464600000000 ] - [ -0.0034436300000000, -0.0009950400000000, -0.0020186400000000 ] - [ 0.0017313000000000, 0.0007356100000000, 0.0014365500000000 ] - [ -0.0011722100000000, 0.0003544200000000, 0.0008089300000000 ] - [ -0.0007880700000000, -0.0002303800000000, -0.0004054000000000 ] - [ -0.0008065900000000, 0.0002005800000000, -0.0002541800000000 ] - [ -0.0006718200000000, -0.0003186900000000, -0.0002632700000000 ] - [ -0.0011534700000000, -0.0003641700000000, 0.0008121200000000 ] - [ -0.0010222300000000, 0.0001745400000000, 0.0001547100000000 ] - [ -0.0005322700000000, -0.0002456700000000, 0.0003295000000000 ] - [ -0.0008523600000000, 0.0003744300000000, 0.0001594400000000 ] - [ -0.0008501500000000, -0.0003721300000000, 0.0001539500000000 ] - [ -0.0005847400000000, 0.0003134300000000, -0.0002363100000000 ] - [ -0.0005492800000000, 0.0002459800000000, 0.0003328100000000 ] - [ -0.0013748700000000, 0.0000953600000000, -0.0000321900000000 ] - [ -0.0008091400000000, -0.0001976900000000, -0.0002197100000000 ] - [ -0.0001612000000000, 0.0002012100000000, -0.0003726400000000 ] - [ 0.0001754700000000, -0.0002198600000000, -0.0001767800000000 ] - [ -0.0000554900000000, -0.0001538500000000, -0.0002242800000000 ] - [ -0.0418737000000000, 0.0205764100000000, -0.0099964900000000 ] - [ -0.0017705600000000, 0.0014859200000000, 0.0003550400000000 ] - [ -0.0000882900000000, 0.0000679200000000, -0.0003771600000000 ] - [ -0.0026882900000000, 0.0058263400000000, -0.0095196200000000 ] - [ -0.0007140600000000, 0.0007255100000000, -0.0004840700000000 ] - [ 0.0005157900000000, -0.0000378200000000, 0.0001227800000000 ] - [ -0.0027500000000000, 0.0012809400000000, -0.0013091700000000 ] - [ 0.0003332100000000, 0.0001796600000000, -0.0004519300000000 ] - [ -0.0022194600000000, -0.0086497000000000, 0.0113818900000000 ] - [ 0.0006266800000000, -0.0005773400000000, 0.0003995600000000 ] - [ 0.0006304900000000, 0.0005610600000000, 0.0004321000000000 ] - [ 0.0001513300000000, 0.0000599600000000, -0.0001207800000000 ] - [ 0.0003460800000000, -0.0001798100000000, -0.0004843900000000 ] - [ 0.0039825500000000, -0.0012499700000000, -0.0016355500000000 ] - [ -0.0054304100000000, -0.0035574300000000, 0.0020491200000000 ] - [ 0.0014334200000000, -0.0018661000000000, -0.0015824700000000 ] - [ 0.0007999300000000, -0.0000243400000000, 0.0000960900000000 ] - [ -0.0002327100000000, -0.0001918200000000, -0.0003518100000000 ] - [ 0.0011955400000000, 0.0002664900000000, 0.0000517800000000 ] - [ 0.0001260700000000, -0.0001919500000000, -0.0002150800000000 ] - [ -0.0006713800000000, -0.0001705800000000, -0.0010845100000000 ] - [ -0.0001477800000000, 0.0000520000000000, 0.0004161900000000 ] - [ 0.0005825300000000, 0.0001074200000000, -0.0004650300000000 ] - [ 0.0005439900000000, 0.0000470800000000, 0.0001048200000000 ] - [ -0.0010173000000000, -0.0007391700000000, 0.0008063600000000 ] - [ 0.0008380200000000, -0.0008232900000000, -0.0008993200000000 ] - [ 0.0004126700000000, -0.0001374100000000, -0.0003337200000000 ] - [ -0.0024554100000000, -0.0005677900000000, 0.0011163500000000 ] - [ 0.0001887600000000, 0.0002025700000000, -0.0003491900000000 ] - [ 0.0000506700000000, -0.0000212100000000, 0.0001845500000000 ] - [ 0.0015921800000000, -0.0002468700000000, -0.0033396000000000 ] - [ 0.0003237400000000, -0.0000061000000000, -0.0007631800000000 ] - [ -0.0000600500000000, -0.0000790900000000, -0.0003405700000000 ] - [ 0.0005265200000000, 0.0001029900000000, -0.0003443700000000 ] - [ -0.0011111000000000, -0.0010607600000000, 0.0005135400000000 ] - [ -0.0010357200000000, 0.0006343400000000, 0.0016729300000000 ] - [ -0.0004230200000000, 0.0008041200000000, 0.0010671600000000 ] - [ 0.0008899400000000, 0.0000063800000000, 0.0002180500000000 ] - [ 0.0006010100000000, -0.0001241500000000, -0.0003532500000000 ] - [ 0.0013797800000000, -0.0024685500000000, 0.0011616700000000 ] - [ 0.0021891700000000, -0.0079232100000000, -0.0005454900000000 ] - [ 0.0002983400000000, 0.0000084500000000, 0.0003952900000000 ] - [ 0.0005804100000000, 0.0007418700000000, 0.0004922100000000 ] - [ 0.0001517000000000, 0.0002340000000000, -0.0004289000000000 ] - [ -0.0012902000000000, -0.0003690600000000, 0.0005271800000000 ] - [ -0.0000578700000000, 0.0002161200000000, -0.0003810800000000 ] - [ 0.0002040700000000, -0.0001964900000000, -0.0003271500000000 ] - [ 0.0000666000000000, -0.0001190900000000, -0.0000025400000000 ] - [ 0.0000281400000000, -0.0002457300000000, 0.0005540400000000 ] - [ 0.0006652000000000, -0.0000704700000000, 0.0000415100000000 ] - [ -0.0002986100000000, 0.0001224400000000, -0.0001764400000000 ] - [ 0.0004819800000000, -0.0005128400000000, -0.0002336100000000 ] - [ 0.0001851200000000, -0.0000174900000000, -0.0002016000000000 ] - [ 0.0000961000000000, -0.0000051400000000, 0.0002339600000000 ] - [ 0.0000583800000000, 0.0000372500000000, 0.0005085800000000 ] - [ -0.0003320000000000, -0.0001233700000000, -0.0008989000000000 ] - [ 0.0000543200000000, -0.0000354600000000, 0.0005020300000000 ] - [ 0.0010623500000000, 0.0001816900000000, 0.0012696400000000 ] - [ 0.0003009300000000, 0.0009085200000000, -0.0003097500000000 ] - [ 0.0002951400000000, 0.0000466000000000, -0.0002843900000000 ] - [ 0.0010153000000000, -0.0010879000000000, 0.0006081900000000 ] - [ 0.0005369000000000, 0.0000000600000000, 0.0000233900000000 ] - [ 0.0006743000000000, 0.0000764400000000, 0.0000383400000000 ] - [ 0.0004443800000000, 0.0003204500000000, -0.0001084000000000 ] - [ 0.0010126800000000, -0.0000196000000000, 0.0003854600000000 ] - [ -0.0003570700000000, -0.0001837500000000, -0.0003286700000000 ] - [ 0.0007700500000000, 0.0001798500000000, -0.0001754400000000 ] - [ 0.0001888400000000, -0.0002382300000000, -0.0004258500000000 ] - [ 0.0007058400000000, 0.0005041600000000, -0.0001233800000000 ] - [ 0.0005216700000000, 0.0000167600000000, 0.0000017400000000 ] - [ 0.0003210000000000, -0.0000525800000000, -0.0002317000000000 ] - [ 0.0010894500000000, -0.0000316900000000, -0.0003721100000000 ] - [ 0.0003902600000000, -0.0003534800000000, 0.0003126400000000 ] - [ 0.0007646800000000, -0.0002445100000000, -0.0001697000000000 ] - [ 0.0007287000000000, -0.0001615600000000, -0.0001632200000000 ] - [ 0.0004813400000000, 0.0005110100000000, -0.0002347100000000 ] - [ 0.0001851300000000, 0.0002162300000000, -0.0002090700000000 ] - [ 0.0007622100000000, 0.0002444500000000, -0.0001905200000000 ] - [ 0.0003236500000000, 0.0005666800000000, 0.0008383000000000 ] - [ 0.0001419800000000, -0.0003732200000000, 0.0000536400000000 ] - [ 0.0001799600000000, -0.0000277300000000, -0.0005363100000000 ] - [ 0.0003733700000000, 0.0000472700000000, -0.0002788700000000 ] - [ 0.0004400700000000, -0.0003216200000000, -0.0001143900000000 ] - [ 0.0003033700000000, -0.0005607000000000, 0.0008370000000000 ] - [ 0.0001574100000000, 0.0003627600000000, 0.0000313500000000 ] - [ 0.0007638400000000, 0.0000205300000000, -0.0000399100000000 ] - [ 0.0007271000000000, -0.0001616500000000, -0.0004085800000000 ] - [ 0.0007217500000000, -0.0005052100000000, -0.0001280500000000 ] - [ 0.0003953700000000, 0.0003534100000000, 0.0003081500000000 ] - [ 0.0001142300000000, 0.0001068200000000, -0.0000109200000000 ] - [ 0.0001886400000000, 0.0000181000000000, -0.0001994400000000 ] - [ 0.0001308600000000, 0.0002109400000000, -0.0002562600000000 ] - [ 0.0000249700000000, 0.0002447400000000, 0.0005566900000000 ]- atom: 52 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0004201000000000, 0.0000947500000000, -0.0003558700000000 ] - [ -0.0000710300000000, -0.0002412900000000, 0.0001764900000000 ] - [ 0.0001807500000000, -0.0001044700000000, -0.0002590000000000 ] - [ -0.0001011400000000, 0.0002389200000000, 0.0002385900000000 ] - [ 0.0003538000000000, 0.0001121000000000, -0.0002561700000000 ] - [ 0.0000111200000000, -0.0002308100000000, 0.0003441300000000 ] - [ 0.0002546000000000, -0.0001162300000000, -0.0003326400000000 ] - [ -0.0001970600000000, 0.0002566000000000, 0.0000623300000000 ] - [ 0.0011976500000000, 0.0004046000000000, 0.0005831100000000 ] - [ 0.0008967900000000, -0.0000043700000000, -0.0011790800000000 ] - [ 0.0009589900000000, 0.0001997500000000, 0.0000885100000000 ] - [ 0.0010230900000000, -0.0001975100000000, 0.0001258800000000 ] - [ 0.0011853700000000, 0.0002273000000000, -0.0003634500000000 ] - [ 0.0011150000000000, -0.0002301500000000, -0.0002801400000000 ] - [ 0.0006419800000000, -0.0001535100000000, 0.0018081300000000 ] - [ 0.0005596000000000, -0.0005002900000000, -0.0021062400000000 ] - [ 0.0007182500000000, -0.0000044500000000, 0.0000169200000000 ] - [ 0.0014141300000000, -0.0008759400000000, 0.0004957600000000 ] - [ 0.0013901000000000, 0.0008689400000000, 0.0005280600000000 ] - [ -0.0068974800000000, -0.0032582200000000, -0.0074489800000000 ] - [ 0.0015469300000000, 0.0000831800000000, -0.0003709900000000 ] - [ 0.0016363300000000, -0.0022455300000000, -0.0050367600000000 ] - [ 0.0025234700000000, 0.0007650000000000, 0.0009056300000000 ] - [ -0.0042717200000000, 0.0011184400000000, 0.0017987900000000 ] - [ 0.0019019700000000, -0.0001957700000000, -0.0000137700000000 ] - [ -0.0015456900000000, 0.0007247700000000, -0.0007826500000000 ] - [ -0.0338749800000000, 0.0097166800000000, -0.0094588700000000 ] - [ -0.0043353700000000, -0.0004495100000000, 0.0002688000000000 ] - [ 0.0002810100000000, -0.0000889800000000, -0.0003548300000000 ] - [ -0.0049584500000000, -0.0024195000000000, 0.0062416100000000 ] - [ 0.0008217800000000, -0.0000061700000000, -0.0000053500000000 ] - [ -0.0019539400000000, -0.0007294800000000, 0.0016457600000000 ] - [ 0.0001717700000000, -0.0000188300000000, 0.0000521400000000 ] - [ 0.0046974100000000, -0.0006038400000000, 0.0028187400000000 ] - [ -0.0004668300000000, 0.0008797100000000, -0.0005919400000000 ] - [ 0.0006035200000000, 0.0007946900000000, 0.0008577400000000 ] - [ 0.0016192000000000, 0.0001807400000000, 0.0000758300000000 ] - [ 0.0009159600000000, -0.0000332000000000, -0.0002134600000000 ] - [ 0.0010726200000000, 0.0001583900000000, 0.0000610400000000 ] - [ 0.0005842600000000, -0.0007848500000000, 0.0008546000000000 ] - [ 0.0018473600000000, -0.0001244800000000, -0.0004839700000000 ] - [ 0.0012294900000000, -0.0001945600000000, 0.0000488200000000 ] - [ 0.0009218600000000, 0.0003190300000000, -0.0002045600000000 ] - [ 0.0009198300000000, -0.0003214200000000, -0.0001986500000000 ] - [ 0.0009867700000000, -0.0001537900000000, 0.0000355400000000 ] - [ 0.0012461200000000, 0.0001943300000000, 0.0000450600000000 ] - [ 0.0013452900000000, 0.0000054600000000, -0.0000692800000000 ] - [ 0.0009182300000000, 0.0000301200000000, -0.0002476900000000 ] - [ -0.0008826200000000, 0.0000679200000000, -0.0003212500000000 ] - [ -0.0007448300000000, -0.0007170900000000, -0.0001452100000000 ] - [ -0.0002730900000000, -0.0000815100000000, 0.0001794000000000 ] - [ 0.0414996100000000, -0.0213909900000000, 0.0118822900000000 ] - [ 0.0020639400000000, -0.0010506900000000, 0.0000330800000000 ] - [ -0.0007552600000000, -0.0000147100000000, -0.0005964200000000 ] - [ 0.0026728900000000, -0.0062707600000000, 0.0094909300000000 ] - [ 0.0005888400000000, -0.0005996300000000, 0.0001513800000000 ] - [ -0.0000383900000000, 0.0000875000000000, 0.0002140900000000 ] - [ 0.0016885200000000, -0.0009019800000000, 0.0020062700000000 ] - [ -0.0004286900000000, -0.0000625400000000, -0.0005194500000000 ] - [ 0.0011862500000000, 0.0082388800000000, -0.0104613100000000 ] - [ 0.0000376600000000, -0.0007267600000000, 0.0004130200000000 ] - [ 0.0000338900000000, 0.0007432600000000, 0.0003800500000000 ] - [ -0.0000838400000000, 0.0000263600000000, -0.0003118500000000 ] - [ -0.0004417600000000, 0.0000626600000000, -0.0004867900000000 ] - [ -0.0037290400000000, 0.0009105200000000, 0.0016861900000000 ] - [ 0.0057126500000000, 0.0031312700000000, -0.0016458400000000 ] - [ -0.0011502700000000, 0.0026465500000000, 0.0014559400000000 ] - [ -0.0005879000000000, -0.0000214800000000, -0.0002169700000000 ] - [ -0.0008107800000000, -0.0000772800000000, -0.0003431200000000 ] - [ -0.0009186000000000, 0.0000175200000000, -0.0007604800000000 ] - [ -0.0008010800000000, 0.0001610600000000, -0.0003348300000000 ] - [ 0.0010101800000000, 0.0008387600000000, 0.0004929000000000 ] - [ 0.0004836800000000, 0.0003072800000000, -0.0004163700000000 ] - [ -0.0005198600000000, -0.0001976700000000, 0.0000402400000000 ] - [ -0.0000672400000000, -0.0000968900000000, 0.0002325600000000 ] - [ 0.0010789000000000, -0.0002805100000000, -0.0000957200000000 ] - [ -0.0002073500000000, 0.0006508600000000, 0.0004812400000000 ] - [ -0.0001298500000000, -0.0001468200000000, -0.0003741700000000 ] - [ 0.0023773400000000, 0.0010131800000000, -0.0012543200000000 ] - [ -0.0007567400000000, 0.0007338400000000, 0.0000281400000000 ] - [ 0.0005716700000000, 0.0001993500000000, -0.0006174100000000 ] - [ -0.0018958600000000, 0.0009458200000000, 0.0048000900000000 ] - [ -0.0007150200000000, -0.0009167000000000, 0.0010464100000000 ] - [ -0.0007839600000000, 0.0000259200000000, -0.0006329800000000 ] - [ -0.0001401900000000, -0.0001900500000000, -0.0001794200000000 ] - [ 0.0013679100000000, 0.0002645300000000, -0.0006362900000000 ] - [ 0.0006641500000000, -0.0013300000000000, -0.0001552800000000 ] - [ 0.0000253800000000, 0.0001105500000000, -0.0007989400000000 ] - [ -0.0006790800000000, 0.0000399500000000, -0.0003404600000000 ] - [ -0.0002156800000000, 0.0002116400000000, -0.0001706500000000 ] - [ -0.0010775800000000, 0.0018207900000000, -0.0017653800000000 ] - [ -0.0021055400000000, 0.0087962900000000, 0.0012638600000000 ] - [ -0.0006309800000000, 0.0002271400000000, -0.0004416800000000 ] - [ -0.0007230100000000, -0.0008644500000000, -0.0007950500000000 ] - [ -0.0008251800000000, -0.0002025400000000, -0.0001200400000000 ] - [ 0.0008160300000000, 0.0006374900000000, 0.0006048400000000 ] - [ -0.0009844500000000, 0.0000538500000000, -0.0003122300000000 ] - [ -0.0007720300000000, -0.0007397000000000, 0.0000052100000000 ] - [ -0.0003965400000000, -0.0001158200000000, -0.0000415200000000 ] - [ -0.0005026100000000, -0.0000279700000000, 0.0005944800000000 ] - [ -0.0003889300000000, 0.0005120900000000, 0.0003738500000000 ] - [ -0.0005476300000000, -0.0000700700000000, -0.0007985600000000 ] - [ -0.0005620900000000, 0.0000685200000000, 0.0001074700000000 ] - [ -0.0003156000000000, 0.0001404400000000, -0.0001153000000000 ] - [ 0.0003803400000000, 0.0000555200000000, 0.0000959500000000 ] - [ -0.0011162700000000, 0.0003400400000000, 0.0001952900000000 ] - [ 0.0002346500000000, 0.0002379400000000, -0.0000779200000000 ] - [ -0.0011117500000000, -0.0003413900000000, 0.0002022100000000 ] - [ -0.0003921200000000, -0.0014731900000000, -0.0004471500000000 ] - [ 0.0003630800000000, 0.0003992100000000, 0.0011141200000000 ] - [ -0.0002286800000000, 0.0000403300000000, -0.0001458800000000 ] - [ -0.0011071300000000, 0.0009564300000000, -0.0015661300000000 ] - [ -0.0002027500000000, -0.0003583800000000, -0.0000126000000000 ] - [ -0.0003979300000000, -0.0005180000000000, 0.0003772000000000 ] - [ -0.0001824200000000, 0.0004815800000000, -0.0000026600000000 ] - [ -0.0008050300000000, -0.0000257500000000, -0.0005056200000000 ] - [ -0.0006875900000000, -0.0000848900000000, -0.0003665500000000 ] - [ -0.0004880600000000, 0.0001048800000000, -0.0005319300000000 ] - [ -0.0008625900000000, 0.0002067400000000, -0.0001240400000000 ] - [ -0.0003761500000000, 0.0001613400000000, -0.0004696000000000 ] - [ -0.0001876600000000, 0.0003419100000000, 0.0000089700000000 ] - [ -0.0002548600000000, -0.0000341600000000, -0.0001970100000000 ] - [ -0.0006082000000000, -0.0000170400000000, 0.0007108000000000 ] - [ -0.0003257800000000, -0.0006632600000000, 0.0004097300000000 ] - [ -0.0001422900000000, 0.0000667700000000, -0.0002587800000000 ] - [ -0.0004484200000000, -0.0001230900000000, -0.0005446300000000 ] - [ -0.0005614700000000, -0.0000667200000000, 0.0001078700000000 ] - [ -0.0007548300000000, 0.0007207900000000, -0.0001120300000000 ] - [ -0.0001395000000000, -0.0000666400000000, -0.0002384200000000 ] - [ -0.0006909100000000, 0.0001315700000000, 0.0006840500000000 ] - [ -0.0005404800000000, -0.0005451700000000, 0.0002213600000000 ] - [ -0.0010197800000000, -0.0000260000000000, -0.0004365200000000 ] - [ 0.0000115400000000, -0.0001351500000000, -0.0002450100000000 ] - [ -0.0001780700000000, -0.0004805000000000, 0.0000035100000000 ] - [ -0.0006703800000000, -0.0001376700000000, 0.0006849500000000 ] - [ -0.0005558300000000, 0.0005553500000000, 0.0002433300000000 ] - [ -0.0005500300000000, 0.0000260100000000, -0.0000826500000000 ] - [ -0.0003402100000000, 0.0002483300000000, -0.0001153600000000 ] - [ -0.0003915900000000, -0.0001605000000000, -0.0004644400000000 ] - [ -0.0003309400000000, 0.0006632200000000, 0.0004142000000000 ] - [ -0.0004443600000000, 0.0001283700000000, -0.0000331600000000 ] - [ -0.0003190800000000, -0.0001408900000000, -0.0001170200000000 ] - [ -0.0008062500000000, -0.0001803200000000, -0.0002923300000000 ] - [ -0.0004993900000000, 0.0000288600000000, 0.0005915300000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000881300000000, 0.0000808000000000, -0.0004498400000000 ] - [ -0.0002499400000000, -0.0002537900000000, 0.0001359500000000 ] - [ 0.0000883800000000, -0.0001257500000000, -0.0001909600000000 ] - [ -0.0002280200000000, 0.0002469800000000, 0.0002303200000000 ] - [ 0.0001199100000000, 0.0001166800000000, -0.0003157200000000 ] - [ -0.0001515600000000, -0.0002228400000000, 0.0001734400000000 ] - [ 0.0001180400000000, -0.0001159200000000, -0.0002757600000000 ] - [ -0.0002720200000000, 0.0002524200000000, 0.0002192100000000 ] - [ 0.0017133100000000, 0.0006989900000000, 0.0005195100000000 ] - [ -0.0002946800000000, 0.0001434800000000, -0.0007190100000000 ] - [ 0.0002872900000000, 0.0002383100000000, 0.0000844400000000 ] - [ 0.0004233100000000, -0.0002233300000000, 0.0001193600000000 ] - [ 0.0004921100000000, 0.0001838300000000, -0.0003321500000000 ] - [ 0.0005830100000000, -0.0001844400000000, -0.0003423800000000 ] - [ 0.0022123700000000, -0.0005669200000000, 0.0007607200000000 ] - [ -0.0006557900000000, -0.0008379700000000, 0.0004072400000000 ] - [ 0.0002618000000000, -0.0000413700000000, 0.0000288000000000 ] - [ 0.0009555300000000, -0.0008390100000000, 0.0004219200000000 ] - [ 0.0009398400000000, 0.0008297100000000, 0.0004873100000000 ] - [ -0.0054620000000000, 0.0110971900000000, 0.0002366400000000 ] - [ 0.0006730500000000, -0.0000230100000000, -0.0001677900000000 ] - [ -0.0011546900000000, -0.0003735800000000, -0.0045817000000000 ] - [ 0.0013071700000000, -0.0002950300000000, -0.0010389900000000 ] - [ -0.0015665200000000, -0.0003036700000000, 0.0037693000000000 ] - [ 0.0012482200000000, -0.0000981200000000, -0.0001357200000000 ] - [ -0.0030703600000000, 0.0015593900000000, 0.0025450100000000 ] - [ -0.0133052100000000, 0.1145112000000000, -0.1169767000000000 ] - [ -0.0022306400000000, -0.0008156400000000, 0.0026930300000000 ] - [ -0.0000102700000000, -0.0000722400000000, 0.0005467200000000 ] - [ 0.0049088400000000, -0.0087210600000000, 0.0050724700000000 ] - [ 0.0003566500000000, 0.0000169800000000, -0.0000796100000000 ] - [ -0.0013943400000000, -0.0008066800000000, 0.0032668900000000 ] - [ 0.0003390500000000, -0.0000088800000000, 0.0002279600000000 ] - [ 0.0000950500000000, -0.0028702200000000, -0.0003725800000000 ] - [ 0.0007049700000000, 0.0008405600000000, 0.0012142600000000 ] - [ 0.0000888400000000, 0.0006709800000000, 0.0008390000000000 ] - [ 0.0010950100000000, 0.0000652300000000, -0.0001056400000000 ] - [ 0.0004186900000000, 0.0000348900000000, -0.0002434900000000 ] - [ 0.0005243100000000, 0.0000035300000000, -0.0000751200000000 ] - [ 0.0000646100000000, -0.0006579100000000, 0.0008438900000000 ] - [ 0.0008170800000000, -0.0000515600000000, -0.0002554500000000 ] - [ 0.0007158200000000, -0.0002058700000000, 0.0001370900000000 ] - [ 0.0003984100000000, 0.0003320600000000, -0.0001060000000000 ] - [ 0.0004021000000000, -0.0003359500000000, -0.0000850300000000 ] - [ 0.0005581900000000, -0.0000274800000000, -0.0000068600000000 ] - [ 0.0007099300000000, 0.0002092000000000, 0.0001243700000000 ] - [ 0.0001385700000000, 0.0000101700000000, -0.0004883900000000 ] - [ 0.0003999600000000, -0.0000399300000000, -0.0002201300000000 ] - [ -0.0006723400000000, 0.0001074000000000, -0.0002947500000000 ] - [ -0.0005807600000000, -0.0006377100000000, -0.0001487800000000 ] - [ -0.0001535900000000, -0.0002026000000000, -0.0001217600000000 ] - [ 0.0205317400000000, -0.1150409900000000, 0.1041593100000000 ] - [ 0.0030313400000000, -0.0008808200000000, -0.0032764400000000 ] - [ -0.0005320600000000, 0.0000032800000000, -0.0005468600000000 ] - [ 0.0030988300000000, -0.0115982300000000, 0.0065417700000000 ] - [ 0.0007724700000000, 0.0000054500000000, -0.0017963800000000 ] - [ 0.0001390900000000, 0.0000481700000000, 0.0001699600000000 ] - [ 0.0000988300000000, -0.0002192700000000, 0.0005331300000000 ] - [ -0.0002047500000000, 0.0000057600000000, -0.0005197400000000 ] - [ -0.0024455200000000, -0.0093876100000000, 0.0035675900000000 ] - [ 0.0002179100000000, -0.0006724200000000, 0.0004284100000000 ] - [ 0.0002019800000000, 0.0007020200000000, 0.0003731200000000 ] - [ 0.0000680600000000, -0.0000263600000000, -0.0006374200000000 ] - [ -0.0002087100000000, -0.0000099700000000, -0.0004684600000000 ] - [ -0.0005617600000000, 0.0002772300000000, 0.0022251900000000 ] - [ 0.0021144500000000, 0.0019082500000000, -0.0004422100000000 ] - [ 0.0005219100000000, 0.0001368200000000, 0.0002061200000000 ] - [ -0.0000830900000000, -0.0000186700000000, -0.0000871900000000 ] - [ -0.0006370600000000, -0.0001092100000000, -0.0003827900000000 ] - [ -0.0005265500000000, 0.0003267900000000, -0.0002398600000000 ] - [ -0.0006361800000000, 0.0001167300000000, -0.0002953100000000 ] - [ 0.0013141900000000, 0.0006675600000000, 0.0000093500000000 ] - [ 0.0003652900000000, 0.0004441000000000, -0.0013255100000000 ] - [ -0.0002602100000000, -0.0002169300000000, 0.0003510300000000 ] - [ 0.0000994400000000, -0.0000554700000000, 0.0002152600000000 ] - [ 0.0002106200000000, -0.0007010000000000, -0.0009418500000000 ] - [ 0.0010654600000000, -0.0000594600000000, 0.0005288200000000 ] - [ 0.0001215200000000, -0.0000468300000000, -0.0005149600000000 ] - [ 0.0014666300000000, 0.0008099700000000, -0.0016888800000000 ] - [ -0.0003777300000000, 0.0005356600000000, -0.0000903900000000 ] - [ 0.0003365800000000, 0.0001744100000000, -0.0010300000000000 ] - [ 0.0018312700000000, -0.0007681600000000, -0.0004590600000000 ] - [ -0.0001395000000000, -0.0006734400000000, 0.0006725000000000 ] - [ -0.0005951200000000, -0.0000136900000000, -0.0005335800000000 ] - [ 0.0000867000000000, -0.0000793300000000, -0.0002669800000000 ] - [ 0.0000241900000000, 0.0002776700000000, -0.0012300500000000 ] - [ -0.0003720200000000, -0.0003365200000000, -0.0001965400000000 ] - [ -0.0001187600000000, -0.0000448600000000, -0.0009148700000000 ] - [ -0.0003199900000000, 0.0000365600000000, -0.0002285500000000 ] - [ -0.0000023000000000, 0.0001387400000000, -0.0001825700000000 ] - [ -0.0030589700000000, 0.0038291100000000, -0.0025855600000000 ] - [ -0.0073887100000000, 0.0113416800000000, 0.0042471500000000 ] - [ -0.0004166200000000, 0.0000438100000000, 0.0000398600000000 ] - [ -0.0011299600000000, 0.0060249400000000, 0.0014523700000000 ] - [ -0.0003953100000000, -0.0000163200000000, -0.0002484700000000 ] - [ 0.0002681000000000, 0.0000083800000000, -0.0007060700000000 ] - [ -0.0006474300000000, 0.0001854400000000, -0.0002403300000000 ] - [ -0.0004338600000000, -0.0005480200000000, -0.0001268000000000 ] - [ -0.0002789100000000, -0.0001230400000000, -0.0000372700000000 ] - [ -0.0003466700000000, -0.0000922800000000, 0.0005861600000000 ] - [ -0.0000781000000000, 0.0003394500000000, 0.0002749300000000 ] - [ -0.0006553800000000, -0.0000513400000000, -0.0007075000000000 ] - [ -0.0002571100000000, -0.0001000500000000, 0.0000107700000000 ] - [ -0.0001691400000000, 0.0000946800000000, -0.0001443000000000 ] - [ 0.0001991200000000, 0.0000906300000000, -0.0002653400000000 ] - [ -0.0007778000000000, 0.0002499300000000, 0.0002822200000000 ] - [ -0.0000851400000000, -0.0000730200000000, -0.0007341200000000 ] - [ -0.0007623900000000, -0.0002499300000000, 0.0002959000000000 ] - [ 0.0004530900000000, -0.0002195500000000, 0.0007126500000000 ] - [ 0.0002557600000000, 0.0008324300000000, 0.0001432400000000 ] - [ -0.0000736700000000, 0.0000402000000000, -0.0002254200000000 ] - [ -0.0009503900000000, -0.0001121300000000, -0.0001717700000000 ] - [ 0.0000202900000000, -0.0002438400000000, 0.0000122500000000 ] - [ -0.0000805700000000, -0.0003422400000000, 0.0002757800000000 ] - [ -0.0000025100000000, 0.0004372500000000, -0.0000363000000000 ] - [ -0.0003733300000000, 0.0000014700000000, -0.0001759100000000 ] - [ -0.0006703900000000, -0.0000792700000000, -0.0003934400000000 ] - [ -0.0000748300000000, 0.0001327200000000, -0.0004070900000000 ] - [ -0.0004977500000000, 0.0000543800000000, -0.0002636600000000 ] - [ -0.0000683500000000, 0.0002612200000000, -0.0003685900000000 ] - [ 0.0000151700000000, 0.0002570500000000, -0.0000093000000000 ] - [ -0.0000894600000000, -0.0000411300000000, -0.0001722100000000 ] - [ 0.0000731700000000, 0.0002856600000000, 0.0006360400000000 ] - [ -0.0001150800000000, -0.0005735600000000, 0.0003762900000000 ] - [ 0.0001173000000000, -0.0000215700000000, -0.0002233300000000 ] - [ -0.0001400800000000, -0.0001279000000000, -0.0004485600000000 ] - [ -0.0002548700000000, 0.0001039700000000, 0.0000057400000000 ] - [ -0.0005290800000000, 0.0005974500000000, -0.0001114100000000 ] - [ 0.0001333400000000, 0.0000280600000000, -0.0002367800000000 ] - [ -0.0004031300000000, 0.0002564100000000, 0.0007346500000000 ] - [ -0.0003504000000000, -0.0005013400000000, 0.0001809200000000 ] - [ -0.0002931300000000, -0.0000602600000000, -0.0003887600000000 ] - [ 0.0000314100000000, -0.0001249300000000, -0.0002571500000000 ] - [ 0.0000068800000000, -0.0004313600000000, -0.0000308300000000 ] - [ -0.0003734500000000, -0.0002650800000000, 0.0007278100000000 ] - [ -0.0003349200000000, 0.0004917000000000, 0.0001747900000000 ] - [ -0.0000254700000000, 0.0000391200000000, -0.0001330300000000 ] - [ 0.0000501800000000, 0.0000860500000000, -0.0001885600000000 ] - [ -0.0000531800000000, -0.0002610700000000, -0.0003646700000000 ] - [ -0.0001176200000000, 0.0005691000000000, 0.0003903500000000 ] - [ -0.0002638300000000, 0.0001159900000000, -0.0000161900000000 ] - [ -0.0001694800000000, -0.0000917000000000, -0.0001345000000000 ] - [ -0.0005837600000000, -0.0000846400000000, -0.0002404000000000 ] - [ -0.0003456400000000, 0.0000898600000000, 0.0005741200000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001173300000000, 0.0001558100000000, -0.0001493700000000 ] - [ -0.0004343700000000, -0.0002649500000000, 0.0001957500000000 ] - [ -0.0001168300000000, -0.0001116800000000, -0.0004056400000000 ] - [ -0.0004560800000000, 0.0002711200000000, 0.0001022700000000 ] - [ -0.0001487200000000, 0.0001201200000000, -0.0002823000000000 ] - [ -0.0005338500000000, -0.0002963800000000, 0.0001576700000000 ] - [ -0.0001466400000000, -0.0001211700000000, -0.0003218800000000 ] - [ -0.0004118800000000, 0.0002657800000000, 0.0001134100000000 ] - [ -0.0014739700000000, -0.0003868400000000, -0.0012090700000000 ] - [ 0.0005090900000000, -0.0004465000000000, 0.0000193600000000 ] - [ -0.0004690000000000, 0.0002710500000000, 0.0001144500000000 ] - [ -0.0006041700000000, -0.0002857500000000, 0.0000799000000000 ] - [ -0.0002698800000000, 0.0001204600000000, -0.0003656600000000 ] - [ -0.0003599500000000, -0.0001198300000000, -0.0003558200000000 ] - [ -0.0023603400000000, 0.0010668300000000, -0.0005677200000000 ] - [ 0.0004784300000000, 0.0003263500000000, -0.0002026200000000 ] - [ -0.0002807600000000, -0.0000592300000000, -0.0001237500000000 ] - [ 0.0003086500000000, -0.0007779800000000, 0.0004066600000000 ] - [ 0.0003241600000000, 0.0007872300000000, 0.0003419400000000 ] - [ 0.0050419200000000, -0.0101177700000000, 0.0012639700000000 ] - [ 0.0001598300000000, -0.0000272900000000, -0.0001640300000000 ] - [ 0.0012556200000000, 0.0005785900000000, 0.0040917200000000 ] - [ -0.0009062300000000, 0.0001241700000000, 0.0008193200000000 ] - [ 0.0009869400000000, -0.0008143400000000, -0.0020918000000000 ] - [ -0.0004100100000000, 0.0001475000000000, -0.0001968800000000 ] - [ 0.0037497300000000, -0.0020090800000000, -0.0021500000000000 ] - [ 0.0135956900000000, -0.1155516600000000, 0.1211581400000000 ] - [ 0.0022735000000000, 0.0001261900000000, -0.0027142900000000 ] - [ 0.0004060000000000, 0.0002321500000000, -0.0007401000000000 ] - [ -0.0041419400000000, 0.0090191900000000, -0.0046213100000000 ] - [ -0.0003746100000000, 0.0000836300000000, -0.0000165100000000 ] - [ 0.0014839000000000, 0.0006213500000000, -0.0036972200000000 ] - [ -0.0003552100000000, -0.0000919000000000, -0.0003228500000000 ] - [ 0.0011113700000000, 0.0012914600000000, 0.0011716800000000 ] - [ 0.0005563000000000, 0.0007773000000000, -0.0003841900000000 ] - [ -0.0006552600000000, 0.0004813400000000, 0.0008255400000000 ] - [ -0.0002576300000000, -0.0001140900000000, -0.0002263600000000 ] - [ -0.0003082500000000, 0.0001344100000000, -0.0002232100000000 ] - [ -0.0001240100000000, -0.0001631000000000, -0.0001264900000000 ] - [ -0.0006313000000000, -0.0004941600000000, 0.0008207000000000 ] - [ 0.0000172400000000, 0.0001015600000000, -0.0000754800000000 ] - [ -0.0000197800000000, -0.0002298100000000, 0.0002406400000000 ] - [ -0.0003255300000000, 0.0003574400000000, 0.0000617400000000 ] - [ -0.0003291700000000, -0.0003536500000000, 0.0000415200000000 ] - [ -0.0001570300000000, 0.0001867100000000, -0.0001939200000000 ] - [ -0.0000138400000000, 0.0002265800000000, 0.0002530200000000 ] - [ -0.0001597100000000, 0.0000906300000000, 0.0003962200000000 ] - [ -0.0002894600000000, -0.0001293900000000, -0.0002463400000000 ] - [ -0.0003740400000000, 0.0001609900000000, -0.0003988100000000 ] - [ 0.0000075500000000, -0.0003025300000000, -0.0001720100000000 ] - [ -0.0001763100000000, -0.0000324200000000, 0.0000786900000000 ] - [ -0.0214836500000000, 0.1165868000000000, -0.1068473300000000 ] - [ -0.0027560000000000, 0.0013081300000000, 0.0037087600000000 ] - [ -0.0003115700000000, 0.0000511900000000, -0.0004281900000000 ] - [ -0.0032329400000000, 0.0112511400000000, -0.0067557300000000 ] - [ -0.0008997700000000, 0.0001178700000000, 0.0014780500000000 ] - [ 0.0003382200000000, 0.0000004700000000, 0.0001702300000000 ] - [ -0.0011479700000000, 0.0005845600000000, 0.0001792300000000 ] - [ 0.0001080200000000, 0.0001087700000000, -0.0004547000000000 ] - [ 0.0013869100000000, 0.0091153800000000, -0.0030154000000000 ] - [ 0.0004458700000000, -0.0006332700000000, 0.0003819700000000 ] - [ 0.0004617200000000, 0.0006040800000000, 0.0004367000000000 ] - [ -0.0000020800000000, 0.0001120800000000, 0.0001988800000000 ] - [ 0.0001117800000000, -0.0001045400000000, -0.0005056700000000 ] - [ 0.0009117800000000, -0.0006502800000000, -0.0022045200000000 ] - [ -0.0017995200000000, -0.0023146800000000, 0.0008357300000000 ] - [ -0.0002894800000000, 0.0007072400000000, -0.0003206300000000 ] - [ 0.0002955200000000, -0.0000283900000000, -0.0000353900000000 ] - [ -0.0004090300000000, -0.0001590900000000, -0.0003120700000000 ] - [ 0.0008019400000000, -0.0000366800000000, -0.0004631600000000 ] - [ -0.0000437000000000, -0.0001444800000000, -0.0002535400000000 ] - [ -0.0009790100000000, -0.0000001800000000, -0.0006007700000000 ] - [ -0.0000293800000000, -0.0000798100000000, 0.0013200600000000 ] - [ 0.0003241400000000, 0.0001300400000000, -0.0007789300000000 ] - [ 0.0003771700000000, 0.0000068000000000, 0.0001256400000000 ] - [ -0.0001446000000000, -0.0003171800000000, 0.0016593300000000 ] - [ -0.0004388900000000, -0.0001228800000000, -0.0009572300000000 ] - [ 0.0001586700000000, -0.0002390700000000, -0.0001931300000000 ] - [ -0.0015323100000000, -0.0003651600000000, 0.0015503500000000 ] - [ -0.0001927400000000, 0.0004029800000000, -0.0002304200000000 ] - [ 0.0002869300000000, 0.0000054000000000, 0.0005878400000000 ] - [ -0.0022013800000000, 0.0014598800000000, 0.0019944000000000 ] - [ -0.0002536500000000, -0.0002498200000000, -0.0003925200000000 ] - [ -0.0002491200000000, -0.0000407300000000, -0.0004412200000000 ] - [ 0.0002979000000000, -0.0000089500000000, -0.0002569700000000 ] - [ 0.0002434500000000, -0.0010821800000000, 0.0011246700000000 ] - [ 0.0000021900000000, -0.0003693500000000, 0.0017089000000000 ] - [ -0.0002788500000000, 0.0009582700000000, 0.0011821300000000 ] - [ 0.0005304700000000, 0.0000111100000000, 0.0001044000000000 ] - [ 0.0003858700000000, -0.0000497100000000, -0.0003410900000000 ] - [ 0.0033167900000000, -0.0044169800000000, 0.0019462300000000 ] - [ 0.0076689100000000, -0.0105068500000000, -0.0035666100000000 ] - [ 0.0000843700000000, 0.0001891000000000, -0.0000785500000000 ] - [ 0.0009404200000000, -0.0060970500000000, -0.0017415700000000 ] - [ -0.0002820600000000, 0.0000455400000000, -0.0003002200000000 ] - [ -0.0007384200000000, 0.0002620000000000, 0.0018421200000000 ] - [ -0.0003976700000000, 0.0000826100000000, -0.0004542600000000 ] - [ -0.0001378700000000, -0.0003909800000000, -0.0001943200000000 ] - [ -0.0000521300000000, -0.0001109300000000, -0.0000041100000000 ] - [ -0.0001292500000000, -0.0001792100000000, 0.0005595000000000 ] - [ 0.0003549900000000, 0.0001011700000000, 0.0001384000000000 ] - [ -0.0001895300000000, 0.0001051700000000, -0.0002671200000000 ] - [ 0.0001733200000000, -0.0003415100000000, -0.0001347500000000 ] - [ 0.0000373200000000, 0.0000273400000000, -0.0001700500000000 ] - [ 0.0002784500000000, -0.0000414100000000, 0.0006037900000000 ] - [ -0.0002828000000000, 0.0001255200000000, 0.0004213200000000 ] - [ -0.0000114800000000, 0.0001867500000000, -0.0002412600000000 ] - [ -0.0002975800000000, -0.0001249800000000, 0.0004080700000000 ] - [ 0.0002161300000000, -0.0010726300000000, 0.0001085300000000 ] - [ 0.0004068500000000, 0.0004733600000000, 0.0006689500000000 ] - [ 0.0001383200000000, 0.0000464300000000, -0.0002088000000000 ] - [ 0.0008714300000000, -0.0000189100000000, -0.0007915800000000 ] - [ 0.0003122800000000, -0.0001166100000000, -0.0000033300000000 ] - [ 0.0003574500000000, -0.0000983300000000, 0.0001378300000000 ] - [ 0.0002617400000000, 0.0003661500000000, -0.0000764400000000 ] - [ 0.0005802800000000, -0.0000481000000000, 0.0000544300000000 ] - [ -0.0003765500000000, -0.0001888000000000, -0.0003010700000000 ] - [ 0.0003542700000000, 0.0001541500000000, -0.0002997900000000 ] - [ -0.0001810000000000, -0.0000830900000000, -0.0002853700000000 ] - [ 0.0003970800000000, 0.0004021000000000, -0.0002248200000000 ] - [ 0.0003173300000000, 0.0001037800000000, 0.0000182600000000 ] - [ 0.0001539700000000, -0.0000452000000000, -0.0002608800000000 ] - [ 0.0004124000000000, -0.0003392600000000, -0.0003041500000000 ] - [ 0.0001783300000000, -0.0004422800000000, 0.0003485100000000 ] - [ 0.0005050500000000, -0.0001562100000000, -0.0002081800000000 ] - [ 0.0004186300000000, -0.0001587600000000, -0.0002584800000000 ] - [ 0.0001712700000000, 0.0003377900000000, -0.0001306000000000 ] - [ -0.0000435400000000, 0.0003421000000000, -0.0002092300000000 ] - [ 0.0004891700000000, 0.0001499300000000, -0.0001950600000000 ] - [ 0.0000334000000000, 0.0004408600000000, 0.0007908300000000 ] - [ -0.0000481900000000, -0.0004167200000000, 0.0000966000000000 ] - [ -0.0005517900000000, 0.0000064900000000, -0.0005887100000000 ] - [ 0.0003520600000000, 0.0000359300000000, -0.0002664400000000 ] - [ 0.0002524200000000, -0.0003719800000000, -0.0000817700000000 ] - [ 0.0000041200000000, -0.0004323200000000, 0.0007972200000000 ] - [ -0.0000637300000000, 0.0004262600000000, 0.0001024500000000 ] - [ 0.0002368600000000, 0.0000086300000000, 0.0000083700000000 ] - [ 0.0003349100000000, 0.0000027200000000, -0.0003358900000000 ] - [ 0.0003822200000000, -0.0004022700000000, -0.0002282800000000 ] - [ 0.0001808200000000, 0.0004467300000000, 0.0003343800000000 ] - [ -0.0000676000000000, 0.0001184100000000, -0.0000253600000000 ] - [ 0.0000377100000000, -0.0000301500000000, -0.0001795300000000 ] - [ -0.0000954800000000, 0.0001127200000000, -0.0003077900000000 ] - [ -0.0001302000000000, 0.0001815800000000, 0.0005712100000000 ]- atom: 52 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0001681500000000, 0.0001785100000000, -0.0000167300000000 ] - [ -0.0002782000000000, -0.0002518900000000, 0.0002479600000000 ] - [ -0.0000538600000000, -0.0000808900000000, -0.0005172200000000 ] - [ -0.0003561600000000, 0.0002650200000000, 0.0000926100000000 ] - [ 0.0000631300000000, 0.0001092400000000, -0.0001499300000000 ] - [ -0.0004081700000000, -0.0002134700000000, 0.0004387500000000 ] - [ -0.0000266300000000, -0.0001227900000000, -0.0004344100000000 ] - [ -0.0002344400000000, 0.0002928700000000, -0.0001142700000000 ] - [ -0.0021429700000000, -0.0006331800000000, -0.0012379300000000 ] - [ 0.0019360300000000, -0.0004170300000000, -0.0002473300000000 ] - [ 0.0001214800000000, 0.0002363600000000, 0.0001245200000000 ] - [ -0.0001220700000000, -0.0002660500000000, 0.0000793500000000 ] - [ 0.0004655800000000, 0.0001593800000000, -0.0004238400000000 ] - [ -0.0000663300000000, -0.0001470800000000, -0.0002726100000000 ] - [ -0.0088440300000000, 0.0025157200000000, -0.0003597100000000 ] - [ 0.0046761400000000, -0.0012215100000000, -0.0021534200000000 ] - [ 0.0001183400000000, -0.0000226900000000, -0.0001553800000000 ] - [ 0.0006920000000000, -0.0008073200000000, 0.0004813100000000 ] - [ 0.0007029400000000, 0.0008211100000000, 0.0003623600000000 ] - [ 0.0141387900000000, -0.0120028900000000, 0.0019644900000000 ] - [ 0.0010072200000000, 0.0000613300000000, -0.0003653500000000 ] - [ 0.0082290800000000, -0.0046180600000000, 0.0065508900000000 ] - [ -0.0004684100000000, 0.0008647000000000, 0.0027415300000000 ] - [ -0.0012397300000000, -0.0033941700000000, -0.0085756900000000 ] - [ 0.0000335900000000, 0.0000892000000000, -0.0000735300000000 ] - [ 0.0049053200000000, 0.0007068100000000, -0.0081406800000000 ] - [ 0.0067023900000000, -0.1023700900000000, 0.1785019000000000 ] - [ -0.0011829200000000, 0.0009152900000000, -0.0086391600000000 ] - [ 0.0007461800000000, 0.0002114500000000, -0.0021407100000000 ] - [ -0.0080463500000000, 0.0084608500000000, 0.0040433100000000 ] - [ 0.0000005600000000, 0.0000690800000000, 0.0000676900000000 ] - [ -0.0002048400000000, 0.0003839200000000, -0.0063038600000000 ] - [ -0.0005130100000000, -0.0002114000000000, -0.0012402300000000 ] - [ 0.0027119100000000, -0.0024139200000000, 0.0089700200000000 ] - [ -0.0003627500000000, 0.0013047200000000, -0.0053450100000000 ] - [ -0.0002226700000000, 0.0005856800000000, 0.0008428500000000 ] - [ -0.0003816500000000, -0.0001871400000000, -0.0004334200000000 ] - [ 0.0000796700000000, 0.0000842200000000, -0.0001573400000000 ] - [ 0.0004123900000000, 0.0000092100000000, 0.0001031300000000 ] - [ -0.0001939200000000, -0.0006006400000000, 0.0008284400000000 ] - [ 0.0012957700000000, -0.0000131500000000, -0.0001723600000000 ] - [ 0.0003945900000000, -0.0002239900000000, 0.0001510300000000 ] - [ 0.0001159100000000, 0.0003506500000000, -0.0000093900000000 ] - [ 0.0001084600000000, -0.0003384800000000, -0.0000675700000000 ] - [ 0.0001408800000000, 0.0001291700000000, -0.0002818000000000 ] - [ 0.0004587400000000, 0.0002123300000000, 0.0002019200000000 ] - [ 0.0010139700000000, -0.0001166600000000, 0.0014752400000000 ] - [ 0.0001817400000000, -0.0000628900000000, -0.0003085100000000 ] - [ -0.0005468900000000, 0.0001287900000000, -0.0004377700000000 ] - [ -0.0000873900000000, -0.0003536600000000, -0.0001631000000000 ] - [ -0.0003266000000000, 0.0000770600000000, 0.0005028800000000 ] - [ -0.0109766600000000, 0.1084433000000000, -0.1971674300000000 ] - [ -0.0022031600000000, 0.0004930400000000, 0.0043911800000000 ] - [ -0.0005112600000000, 0.0000381900000000, -0.0004662600000000 ] - [ -0.0100568300000000, -0.0010873400000000, 0.0158062000000000 ] - [ -0.0006271200000000, -0.0014858200000000, 0.0038809900000000 ] - [ 0.0001820000000000, 0.0000348300000000, 0.0002155300000000 ] - [ 0.0004407300000000, -0.0018245900000000, 0.0041543100000000 ] - [ -0.0000798900000000, 0.0000535700000000, -0.0004444100000000 ] - [ 0.0133960000000000, -0.0003933700000000, 0.0099924500000000 ] - [ 0.0002909600000000, -0.0006831300000000, 0.0003591200000000 ] - [ 0.0003228900000000, 0.0006333800000000, 0.0004530000000000 ] - [ -0.0001784500000000, 0.0001961200000000, 0.0006863100000000 ] - [ -0.0000842600000000, -0.0000421900000000, -0.0005305000000000 ] - [ -0.0008735700000000, -0.0004997300000000, -0.0050331600000000 ] - [ 0.0024161500000000, 0.0014521700000000, -0.0002644900000000 ] - [ -0.0092435200000000, 0.0094217100000000, 0.0020211200000000 ] - [ -0.0001762600000000, -0.0000307600000000, -0.0001648300000000 ] - [ -0.0005579400000000, -0.0001338800000000, -0.0002603300000000 ] - [ 0.0005483100000000, -0.0002970400000000, -0.0009133500000000 ] - [ -0.0001230300000000, -0.0001307500000000, -0.0002866200000000 ] - [ -0.0012049100000000, -0.0000958300000000, -0.0000997700000000 ] - [ 0.0001221800000000, -0.0003184700000000, 0.0029635400000000 ] - [ 0.0001817200000000, 0.0001835000000000, -0.0012653700000000 ] - [ 0.0002439300000000, -0.0000257600000000, 0.0001310300000000 ] - [ 0.0009379700000000, 0.0009624100000000, 0.0044635400000000 ] - [ -0.0017270500000000, 0.0004092200000000, -0.0014583500000000 ] - [ -0.0000950700000000, -0.0003469600000000, 0.0000151800000000 ] - [ 0.0000526700000000, -0.0007156600000000, 0.0027590100000000 ] - [ -0.0005799800000000, 0.0005855800000000, -0.0001357800000000 ] - [ 0.0007803100000000, 0.0001135200000000, 0.0010423400000000 ] - [ -0.0055111800000000, -0.0010148500000000, 0.0003649500000000 ] - [ -0.0017418400000000, 0.0003083000000000, -0.0004029200000000 ] - [ -0.0003967800000000, -0.0000042200000000, -0.0005301900000000 ] - [ 0.0000907800000000, -0.0001119600000000, -0.0001656500000000 ] - [ 0.0010059500000000, -0.0014222300000000, 0.0016128100000000 ] - [ 0.0015906700000000, -0.0005709400000000, 0.0040673800000000 ] - [ 0.0000951400000000, 0.0011640900000000, 0.0014889600000000 ] - [ 0.0002707200000000, 0.0000125300000000, 0.0000307600000000 ] - [ 0.0002229700000000, -0.0000000800000000, -0.0003479400000000 ] - [ 0.0054182300000000, -0.0055228000000000, 0.0022088200000000 ] - [ -0.0030268100000000, 0.0048986900000000, -0.0087161000000000 ] - [ -0.0000640500000000, 0.0003742300000000, -0.0005691100000000 ] - [ 0.0005866800000000, -0.0017414900000000, -0.0070792100000000 ] - [ -0.0007021900000000, -0.0001330800000000, -0.0001936300000000 ] - [ -0.0002591700000000, 0.0014156600000000, 0.0050976800000000 ] - [ -0.0007772200000000, -0.0000649500000000, -0.0005930100000000 ] - [ -0.0005666500000000, -0.0006340400000000, -0.0000414300000000 ] - [ -0.0001254900000000, -0.0000939900000000, 0.0000297900000000 ] - [ -0.0002619500000000, -0.0001210900000000, 0.0005591200000000 ] - [ 0.0000996500000000, 0.0002448600000000, 0.0002201200000000 ] - [ 0.0001889000000000, 0.0003831900000000, 0.0000863400000000 ] - [ -0.0000791200000000, -0.0002025500000000, -0.0000574000000000 ] - [ -0.0000852600000000, 0.0000626300000000, -0.0001313700000000 ] - [ 0.0001442500000000, -0.0002971100000000, 0.0023984800000000 ] - [ -0.0005657600000000, 0.0002011900000000, 0.0003516500000000 ] - [ 0.0002016000000000, 0.0006795800000000, 0.0010698400000000 ] - [ -0.0005944000000000, -0.0002013700000000, 0.0003257600000000 ] - [ 0.0003009600000000, -0.0021281900000000, -0.0015814600000000 ] - [ 0.0000236300000000, -0.0003662200000000, 0.0029926400000000 ] - [ -0.0000204000000000, 0.0000495200000000, -0.0000497400000000 ] - [ 0.0000356400000000, 0.0014638900000000, -0.0027975600000000 ] - [ 0.0001135500000000, -0.0002364600000000, -0.0000612500000000 ] - [ 0.0000843600000000, -0.0002478700000000, 0.0002239800000000 ] - [ 0.0001111300000000, 0.0004023200000000, -0.0000478300000000 ] - [ 0.0013664000000000, -0.0001534500000000, -0.0002149200000000 ] - [ -0.0003791100000000, -0.0002555700000000, -0.0001466600000000 ] - [ -0.0001138400000000, 0.0001202000000000, -0.0004698700000000 ] - [ -0.0006113600000000, 0.0001113200000000, -0.0001133900000000 ] - [ 0.0001681100000000, 0.0003194200000000, -0.0003039600000000 ] - [ 0.0001570500000000, 0.0001530900000000, 0.0000704100000000 ] - [ 0.0000327400000000, -0.0000360200000000, -0.0003764000000000 ] - [ 0.0003002800000000, -0.0003755500000000, -0.0024185200000000 ] - [ 0.0000003800000000, -0.0005160700000000, 0.0003809800000000 ] - [ 0.0003102200000000, -0.0000900800000000, -0.0002643900000000 ] - [ 0.0002905200000000, -0.0001554500000000, -0.0002632200000000 ] - [ -0.0000930800000000, 0.0001906600000000, -0.0000382900000000 ] - [ -0.0000129400000000, 0.0003136000000000, -0.0002288900000000 ] - [ 0.0002326500000000, 0.0000601000000000, -0.0001736300000000 ] - [ -0.0002047700000000, 0.0003375700000000, 0.0007468600000000 ] - [ -0.0001794700000000, -0.0004351300000000, 0.0001186700000000 ] - [ -0.0014401100000000, 0.0002413100000000, -0.0010868300000000 ] - [ 0.0003324400000000, 0.0000569400000000, -0.0001350300000000 ] - [ 0.0000957600000000, -0.0004134200000000, -0.0000547400000000 ] - [ -0.0002498700000000, -0.0003236900000000, 0.0007630600000000 ] - [ -0.0002778100000000, 0.0004980600000000, 0.0001739100000000 ] - [ -0.0006992600000000, -0.0000309300000000, -0.0000207400000000 ] - [ -0.0000763400000000, 0.0002345800000000, -0.0003523500000000 ] - [ 0.0000667600000000, -0.0003148500000000, -0.0003181900000000 ] - [ 0.0000003300000000, 0.0005274300000000, 0.0003504900000000 ] - [ -0.0002528600000000, 0.0001434700000000, -0.0000701000000000 ] - [ -0.0000890200000000, -0.0000733200000000, -0.0001764300000000 ] - [ -0.0001490700000000, 0.0001467500000000, -0.0004106800000000 ] - [ -0.0002590700000000, 0.0001329600000000, 0.0005914500000000 ]- atom: 52 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0001990500000000, 0.0000582000000000, -0.0005808200000000 ] - [ -0.0004073500000000, -0.0002666700000000, 0.0000847000000000 ] - [ 0.0000261800000000, -0.0001564900000000, -0.0000801100000000 ] - [ -0.0003288500000000, 0.0002529800000000, 0.0002397800000000 ] - [ -0.0000915500000000, 0.0001273800000000, -0.0004473600000000 ] - [ -0.0002738400000000, -0.0003047200000000, -0.0001046700000000 ] - [ -0.0000029200000000, -0.0001144800000000, -0.0001632200000000 ] - [ -0.0004528400000000, 0.0002251700000000, 0.0004458800000000 ] - [ 0.0023770500000000, 0.0009409500000000, 0.0005344900000000 ] - [ -0.0017153000000000, 0.0001142800000000, -0.0004433500000000 ] - [ -0.0003062800000000, 0.0002730500000000, 0.0000757600000000 ] - [ -0.0000631500000000, -0.0002433400000000, 0.0001207300000000 ] - [ -0.0002440000000000, 0.0001442700000000, -0.0002759900000000 ] - [ 0.0002886800000000, -0.0001565300000000, -0.0004263500000000 ] - [ 0.0086504300000000, -0.0019997800000000, 0.0005857100000000 ] - [ -0.0048904300000000, 0.0007254900000000, 0.0023301800000000 ] - [ -0.0001400700000000, -0.0000780400000000, 0.0000591300000000 ] - [ 0.0005687000000000, -0.0008086000000000, 0.0003466100000000 ] - [ 0.0005578000000000, 0.0007948600000000, 0.0004657100000000 ] - [ -0.0147845700000000, 0.0132633500000000, -0.0006629900000000 ] - [ -0.0001761100000000, -0.0001114900000000, 0.0000365700000000 ] - [ -0.0081202600000000, 0.0047765300000000, -0.0069317900000000 ] - [ 0.0008515800000000, -0.0010378900000000, -0.0029685900000000 ] - [ 0.0006449900000000, 0.0022276300000000, 0.0102576500000000 ] - [ 0.0007963600000000, -0.0000383500000000, -0.0002595200000000 ] - [ -0.0042014200000000, -0.0011029300000000, 0.0085002100000000 ] - [ -0.0059846400000000, 0.0964610300000000, -0.1701488300000000 ] - [ 0.0012580700000000, -0.0016068100000000, 0.0086123300000000 ] - [ -0.0003394400000000, -0.0000520800000000, 0.0019452400000000 ] - [ 0.0087955300000000, -0.0081299800000000, -0.0038161100000000 ] - [ -0.0000229700000000, 0.0000317300000000, -0.0001644300000000 ] - [ 0.0003225400000000, -0.0005585000000000, 0.0058493200000000 ] - [ 0.0004846400000000, 0.0001113600000000, 0.0011490000000000 ] - [ -0.0013718400000000, 0.0007677900000000, -0.0081222600000000 ] - [ 0.0016108300000000, 0.0003092600000000, 0.0061905300000000 ] - [ -0.0003464100000000, 0.0005647100000000, 0.0008230000000000 ] - [ 0.0012120800000000, 0.0001371700000000, 0.0001057400000000 ] - [ 0.0000305400000000, 0.0000842400000000, -0.0003095400000000 ] - [ -0.0000110700000000, -0.0001694600000000, -0.0003046900000000 ] - [ -0.0003753500000000, -0.0005497200000000, 0.0008373600000000 ] - [ -0.0004667700000000, 0.0000632000000000, -0.0001634400000000 ] - [ 0.0003019300000000, -0.0002137800000000, 0.0002272100000000 ] - [ -0.0000456000000000, 0.0003409300000000, -0.0000349800000000 ] - [ -0.0000381300000000, -0.0003531200000000, 0.0000235300000000 ] - [ 0.0002602300000000, 0.0000302900000000, 0.0000814200000000 ] - [ 0.0002376800000000, 0.0002255300000000, 0.0001758500000000 ] - [ -0.0010302400000000, 0.0002189300000000, -0.0015843800000000 ] - [ -0.0000716900000000, -0.0001058300000000, -0.0001586000000000 ] - [ -0.0004974700000000, 0.0001404900000000, -0.0002560400000000 ] - [ -0.0004842500000000, -0.0005855100000000, -0.0001566400000000 ] - [ -0.0000046700000000, -0.0003131000000000, -0.0005472800000000 ] - [ 0.0097637900000000, -0.1020120700000000, 0.1897002200000000 ] - [ 0.0024889400000000, -0.0000777900000000, -0.0039727200000000 ] - [ -0.0003319800000000, 0.0000157600000000, -0.0005079400000000 ] - [ 0.0098254200000000, 0.0005412600000000, -0.0155714300000000 ] - [ 0.0004992800000000, 0.0015979100000000, -0.0041908100000000 ] - [ 0.0002956900000000, 0.0000138200000000, 0.0001237100000000 ] - [ -0.0014954700000000, 0.0022096400000000, -0.0034614400000000 ] - [ -0.0000156000000000, 0.0000622200000000, -0.0005286700000000 ] - [ -0.0143012400000000, -0.0000759500000000, -0.0091619100000000 ] - [ 0.0003732800000000, -0.0006219000000000, 0.0004519300000000 ] - [ 0.0003414000000000, 0.0006716800000000, 0.0003581000000000 ] - [ 0.0002425200000000, -0.0001099400000000, -0.0011191500000000 ] - [ -0.0000112500000000, -0.0000736200000000, -0.0004428600000000 ] - [ 0.0012559200000000, 0.0001292300000000, 0.0050259300000000 ] - [ -0.0021607400000000, -0.0018982400000000, 0.0006875000000000 ] - [ 0.0096466100000000, -0.0087701100000000, -0.0021713500000000 ] - [ 0.0003886100000000, -0.0000162300000000, 0.0000422100000000 ] - [ -0.0004871200000000, -0.0001352000000000, -0.0004342000000000 ] - [ -0.0002656500000000, 0.0005869400000000, 0.0002123000000000 ] - [ -0.0005549200000000, 0.0001020800000000, -0.0002609900000000 ] - [ 0.0015286500000000, 0.0007525800000000, -0.0005029100000000 ] - [ 0.0002076000000000, 0.0006822600000000, -0.0029570500000000 ] - [ -0.0001135100000000, -0.0002682300000000, 0.0008342200000000 ] - [ 0.0002337600000000, -0.0000226000000000, 0.0002084500000000 ] - [ -0.0008696700000000, -0.0019759200000000, -0.0037466100000000 ] - [ 0.0023525700000000, -0.0005921700000000, 0.0010187500000000 ] - [ 0.0003719400000000, 0.0000623600000000, -0.0007244900000000 ] - [ -0.0001414800000000, 0.0011640000000000, -0.0028866800000000 ] - [ 0.0000099600000000, 0.0003521800000000, -0.0001860500000000 ] - [ -0.0001622100000000, 0.0000624300000000, -0.0014779400000000 ] - [ 0.0051815500000000, 0.0017209800000000, 0.0012061700000000 ] - [ 0.0013373100000000, -0.0012168100000000, 0.0006706900000000 ] - [ -0.0004464700000000, -0.0000498700000000, -0.0004433700000000 ] - [ 0.0002943400000000, 0.0000241000000000, -0.0003582000000000 ] - [ -0.0007370600000000, 0.0006287700000000, -0.0017409600000000 ] - [ -0.0019521600000000, -0.0001307500000000, -0.0025426200000000 ] - [ -0.0004980600000000, -0.0002437100000000, -0.0012100600000000 ] - [ -0.0000582700000000, 0.0000346900000000, -0.0001530600000000 ] - [ 0.0001623900000000, 0.0000880900000000, -0.0001761100000000 ] - [ -0.0051418300000000, 0.0049193800000000, -0.0028286800000000 ] - [ 0.0029672500000000, -0.0037322200000000, 0.0095619900000000 ] - [ -0.0002646300000000, -0.0001425500000000, 0.0005336000000000 ] - [ -0.0006496500000000, 0.0016687800000000, 0.0068516500000000 ] - [ 0.0000257900000000, 0.0001632200000000, -0.0003563900000000 ] - [ -0.0002136600000000, -0.0011467700000000, -0.0039622700000000 ] - [ -0.0002695000000000, 0.0003353100000000, -0.0000987500000000 ] - [ -0.0000030500000000, -0.0003037300000000, -0.0002790200000000 ] - [ -0.0002044400000000, -0.0001402600000000, -0.0000717400000000 ] - [ -0.0002131600000000, -0.0001510700000000, 0.0005871400000000 ] - [ 0.0001780500000000, 0.0001956800000000, 0.0001936600000000 ] - [ -0.0010310100000000, -0.0003297100000000, -0.0010650200000000 ] - [ -0.0000029800000000, -0.0002402400000000, -0.0000670500000000 ] - [ -0.0000454100000000, 0.0000592200000000, -0.0001833000000000 ] - [ 0.0003371800000000, 0.0003449000000000, -0.0020681600000000 ] - [ -0.0004930100000000, 0.0001742400000000, 0.0003524000000000 ] - [ -0.0002921800000000, -0.0005621900000000, -0.0020446800000000 ] - [ -0.0004639300000000, -0.0001735800000000, 0.0003785700000000 ] - [ 0.0003527300000000, 0.0008118100000000, 0.0023812300000000 ] - [ 0.0006492500000000, 0.0016703200000000, -0.0021900000000000 ] - [ 0.0000860500000000, 0.0000371000000000, -0.0003828200000000 ] - [ -0.0001508700000000, -0.0015622900000000, 0.0018096000000000 ] - [ 0.0002202900000000, -0.0001233100000000, 0.0000708700000000 ] - [ 0.0001932100000000, -0.0001924800000000, 0.0001898300000000 ] - [ 0.0001494300000000, 0.0004002000000000, -0.0000647600000000 ] - [ -0.0011543100000000, 0.0001059300000000, 0.0000878700000000 ] - [ -0.0006641400000000, -0.0000134000000000, -0.0005488600000000 ] - [ 0.0003944300000000, 0.0001655400000000, -0.0002366600000000 ] - [ -0.0000651700000000, -0.0001409600000000, -0.0004348000000000 ] - [ 0.0001614500000000, 0.0003443200000000, -0.0002893300000000 ] - [ 0.0001768900000000, 0.0002068600000000, -0.0000605800000000 ] - [ 0.0000321000000000, -0.0000503000000000, -0.0000552900000000 ] - [ 0.0001640700000000, 0.0003327700000000, 0.0027817600000000 ] - [ 0.0000635200000000, -0.0004997400000000, 0.0003429700000000 ] - [ 0.0003125200000000, -0.0000875200000000, -0.0001664300000000 ] - [ -0.0000111800000000, -0.0001305000000000, -0.0004441900000000 ] - [ 0.0000111100000000, 0.0002522100000000, -0.0000868900000000 ] - [ -0.0005578400000000, 0.0006245300000000, -0.0000924900000000 ] - [ 0.0003905300000000, 0.0001176800000000, -0.0002573200000000 ] - [ -0.0001630800000000, 0.0003604900000000, 0.0007781600000000 ] - [ -0.0002183000000000, -0.0004831500000000, 0.0001583100000000 ] - [ 0.0006011300000000, -0.0002979400000000, 0.0001212400000000 ] - [ 0.0000548400000000, -0.0001443400000000, -0.0003900700000000 ] - [ 0.0001647900000000, -0.0003891700000000, -0.0000577900000000 ] - [ -0.0001179500000000, -0.0003744400000000, 0.0007615500000000 ] - [ -0.0001201100000000, 0.0004201200000000, 0.0001031200000000 ] - [ 0.0009169800000000, 0.0000786600000000, -0.0000987900000000 ] - [ 0.0004592800000000, -0.0001470800000000, -0.0001701200000000 ] - [ 0.0002630900000000, -0.0003490300000000, -0.0002744900000000 ] - [ 0.0000635800000000, 0.0004883100000000, 0.0003733300000000 ] - [ -0.0000780600000000, 0.0000913000000000, 0.0000283200000000 ] - [ -0.0000416600000000, -0.0000483900000000, -0.0001378800000000 ] - [ -0.0005284500000000, -0.0001171400000000, -0.0001393400000000 ] - [ -0.0002159600000000, 0.0001391000000000, 0.0005545800000000 ]- atom: 53 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0003480600000000, 0.0001421600000000, -0.0005274200000000 ] - [ -0.0008591000000000, -0.0003100800000000, -0.0000572100000000 ] - [ -0.0007188800000000, -0.0001647200000000, 0.0000438700000000 ] - [ -0.0008391300000000, 0.0002879600000000, 0.0002109000000000 ] - [ -0.0005976700000000, 0.0001239200000000, -0.0002057000000000 ] - [ -0.0008102200000000, -0.0002691600000000, 0.0003615500000000 ] - [ -0.0007337200000000, -0.0001335300000000, -0.0004242300000000 ] - [ -0.0008491800000000, 0.0003086900000000, -0.0001736000000000 ] - [ -0.0002682000000000, 0.0007738600000000, 0.0011700600000000 ] - [ -0.0052136500000000, 0.0019993400000000, -0.0046107300000000 ] - [ -0.0024744000000000, 0.0003900600000000, 0.0000313700000000 ] - [ -0.0021012800000000, -0.0003541500000000, 0.0001444500000000 ] - [ -0.0018141000000000, 0.0000005500000000, -0.0004838400000000 ] - [ -0.0021610100000000, 0.0000002900000000, -0.0003311500000000 ] - [ -0.0043463400000000, 0.0004619200000000, 0.0041357200000000 ] - [ 0.0013429800000000, 0.0002396700000000, -0.0012530500000000 ] - [ -0.0017395700000000, -0.0001816200000000, -0.0000258800000000 ] - [ -0.0008949500000000, -0.0006955100000000, 0.0001278700000000 ] - [ -0.0009550900000000, 0.0006646600000000, 0.0003019900000000 ] - [ 0.0034732400000000, 0.0012290500000000, 0.0027992900000000 ] - [ -0.0030033300000000, -0.0005420300000000, -0.0003896900000000 ] - [ 0.0067395300000000, -0.0045034600000000, -0.0070895300000000 ] - [ 0.0005757700000000, -0.0005381100000000, -0.0006391500000000 ] - [ -0.0057006900000000, 0.0046088500000000, -0.0050889300000000 ] - [ -0.0014548000000000, 0.0002047100000000, 0.0001034200000000 ] - [ 0.1190195000000000, -0.0691198000000000, -0.0673018800000000 ] - [ 0.0098490400000000, -0.0044363800000000, 0.0055020200000000 ] - [ 0.0095753000000000, -0.0001213800000000, -0.0037631500000000 ] - [ -0.0021862800000000, -0.0010103900000000, 0.0013573700000000 ] - [ 0.0063760600000000, -0.0004946700000000, 0.0002286600000000 ] - [ -0.0014139700000000, 0.0001261400000000, -0.0002856700000000 ] - [ 0.0021715500000000, 0.0002559800000000, 0.0078543400000000 ] - [ -0.0028694000000000, -0.0003168100000000, -0.0010925400000000 ] - [ 0.0012371000000000, -0.0004597700000000, 0.0041911800000000 ] - [ -0.0010959300000000, -0.0000480100000000, -0.0053599100000000 ] - [ -0.0020127800000000, 0.0001634300000000, 0.0007850000000000 ] - [ -0.0026926800000000, -0.0003285300000000, 0.0002318800000000 ] - [ -0.0017160100000000, 0.0003218600000000, -0.0001902100000000 ] - [ -0.0013667600000000, -0.0005127900000000, -0.0002839700000000 ] - [ -0.0021000800000000, -0.0001183800000000, 0.0007883000000000 ] - [ -0.0016635600000000, 0.0003060500000000, -0.0001878000000000 ] - [ -0.0014794600000000, -0.0002716600000000, 0.0004713400000000 ] - [ -0.0017621800000000, 0.0003941200000000, 0.0003284100000000 ] - [ -0.0017480500000000, -0.0004036600000000, 0.0003514500000000 ] - [ -0.0015885600000000, 0.0005923400000000, -0.0005098100000000 ] - [ -0.0014165400000000, 0.0002689200000000, 0.0004819600000000 ] - [ -0.0007993800000000, 0.0000424700000000, 0.0003755900000000 ] - [ -0.0016586700000000, -0.0003132000000000, -0.0002910400000000 ] - [ 0.0000406200000000, 0.0002511100000000, -0.0002775100000000 ] - [ 0.0004460500000000, -0.0000483300000000, -0.0005057600000000 ] - [ 0.0007005900000000, -0.0007299500000000, -0.0001630900000000 ] - [ -0.0021626000000000, 0.0027692300000000, -0.0018032200000000 ] - [ -0.1425195900000000, 0.0867901700000000, 0.0787454600000000 ] - [ 0.0003638500000000, 0.0001080600000000, -0.0002288200000000 ] - [ -0.0087715900000000, 0.0019391700000000, 0.0022330000000000 ] - [ -0.0021106300000000, 0.0030602200000000, -0.0103886200000000 ] - [ 0.0008844800000000, -0.0001243200000000, -0.0000007300000000 ] - [ -0.0041477400000000, 0.0013504600000000, -0.0001079400000000 ] - [ 0.0007435900000000, 0.0002965700000000, -0.0005235400000000 ] - [ -0.0040662200000000, -0.0020420200000000, -0.0040365000000000 ] - [ 0.0009522600000000, -0.0004426000000000, 0.0005049000000000 ] - [ 0.0009124800000000, 0.0005240900000000, 0.0003498200000000 ] - [ 0.0009692700000000, -0.0002351000000000, -0.0015492300000000 ] - [ 0.0007215400000000, -0.0003066300000000, -0.0003775100000000 ] - [ -0.0005793700000000, 0.0009306200000000, 0.0028517700000000 ] - [ -0.0030540900000000, -0.0016970400000000, 0.0009643300000000 ] - [ -0.0009980200000000, 0.0005003100000000, 0.0001119500000000 ] - [ 0.0019390500000000, 0.0000253600000000, 0.0006350500000000 ] - [ 0.0001972400000000, -0.0002692000000000, -0.0004922800000000 ] - [ 0.0005548500000000, 0.0003180500000000, -0.0000505400000000 ] - [ 0.0003989600000000, -0.0003462100000000, -0.0005289000000000 ] - [ 0.0186892600000000, -0.0057022000000000, -0.0024558400000000 ] - [ 0.0010161100000000, 0.0005232100000000, -0.0061953300000000 ] - [ -0.0000042200000000, -0.0001998500000000, 0.0007995300000000 ] - [ 0.0007670200000000, 0.0000974900000000, 0.0001181000000000 ] - [ 0.0028349200000000, -0.0028184100000000, 0.0097011600000000 ] - [ -0.0004867800000000, 0.0005589400000000, 0.0010577000000000 ] - [ 0.0028367600000000, 0.0008092800000000, -0.0002916300000000 ] - [ -0.0047837700000000, -0.0025798300000000, 0.0018365700000000 ] - [ 0.0008980100000000, -0.0003307300000000, -0.0002503200000000 ] - [ 0.0000374100000000, 0.0004208300000000, -0.0016733000000000 ] - [ -0.0014845200000000, -0.0002822700000000, 0.0000661100000000 ] - [ -0.0012929600000000, -0.0016571300000000, 0.0020987300000000 ] - [ 0.0001953700000000, -0.0001240400000000, -0.0002428900000000 ] - [ 0.0010634800000000, 0.0003579500000000, -0.0005466800000000 ] - [ 0.0067521500000000, -0.0028635800000000, -0.0020965600000000 ] - [ 0.0102251500000000, -0.0049051200000000, 0.0038039000000000 ] - [ 0.0003937000000000, -0.0007924100000000, -0.0018434400000000 ] - [ 0.0013117900000000, 0.0000318800000000, 0.0001751600000000 ] - [ 0.0007952100000000, -0.0002034900000000, -0.0003499900000000 ] - [ -0.0025257200000000, 0.0013124800000000, -0.0022511700000000 ] - [ -0.0010110000000000, 0.0010833000000000, -0.0010841200000000 ] - [ -0.0000541300000000, 0.0000024400000000, -0.0001820900000000 ] - [ -0.0023791800000000, -0.0012523300000000, 0.0002760300000000 ] - [ 0.0008100300000000, 0.0005829600000000, -0.0001849600000000 ] - [ -0.0058241800000000, -0.0018270100000000, 0.0027709300000000 ] - [ -0.0000937900000000, 0.0001812900000000, -0.0004496100000000 ] - [ 0.0005078700000000, -0.0000444800000000, -0.0002819500000000 ] - [ 0.0004087300000000, -0.0000874800000000, 0.0000308300000000 ] - [ 0.0002909000000000, -0.0003536500000000, 0.0005425400000000 ] - [ 0.0012304000000000, -0.0003848400000000, -0.0001363400000000 ] - [ 0.0010796800000000, 0.0001970600000000, -0.0001871400000000 ] - [ 0.0010184900000000, -0.0008079300000000, -0.0004096700000000 ] - [ 0.0004471500000000, -0.0001006100000000, -0.0002333500000000 ] - [ 0.0010230900000000, -0.0009488700000000, 0.0015401100000000 ] - [ 0.0006329800000000, -0.0001219900000000, 0.0006451400000000 ] - [ 0.0005522300000000, 0.0009205500000000, 0.0009225300000000 ] - [ 0.0006735200000000, 0.0001179800000000, 0.0006788400000000 ] - [ 0.0007200200000000, -0.0010803900000000, -0.0013843200000000 ] - [ 0.0011194100000000, -0.0001652400000000, 0.0020644900000000 ] - [ 0.0005884000000000, 0.0000616200000000, -0.0001938200000000 ] - [ 0.0000124200000000, 0.0001798100000000, -0.0015429800000000 ] - [ 0.0008798800000000, 0.0001364000000000, -0.0000219300000000 ] - [ 0.0011943700000000, 0.0003630700000000, -0.0001272900000000 ] - [ 0.0007449200000000, 0.0002463000000000, -0.0001781100000000 ] - [ 0.0018139400000000, -0.0000443500000000, 0.0001699700000000 ] - [ 0.0003884400000000, -0.0004273400000000, -0.0002522400000000 ] - [ 0.0012344500000000, 0.0001866700000000, -0.0000364800000000 ] - [ 0.0005166800000000, -0.0003450000000000, -0.0002580100000000 ] - [ 0.0013089300000000, 0.0006811300000000, 0.0000498800000000 ] - [ 0.0009169100000000, -0.0001948200000000, 0.0000616200000000 ] - [ 0.0005934600000000, -0.0000491100000000, -0.0004116900000000 ] - [ 0.0004765600000000, -0.0000788100000000, -0.0008048400000000 ] - [ 0.0007666500000000, -0.0002007400000000, 0.0002434500000000 ] - [ 0.0012454800000000, -0.0004114600000000, -0.0001780300000000 ] - [ 0.0014874400000000, -0.0002217600000000, 0.0000626000000000 ] - [ 0.0010071200000000, 0.0008051900000000, -0.0004059600000000 ] - [ 0.0007991400000000, -0.0001312100000000, -0.0004905100000000 ] - [ 0.0012056300000000, 0.0003957500000000, -0.0001133500000000 ] - [ 0.0007742800000000, 0.0007685500000000, 0.0009236400000000 ] - [ 0.0005379500000000, -0.0002546000000000, -0.0000769800000000 ] - [ -0.0002052500000000, 0.0000037200000000, -0.0003785900000000 ] - [ 0.0012475400000000, 0.0004489600000000, -0.0004752200000000 ] - [ 0.0007731200000000, -0.0002329100000000, -0.0001607400000000 ] - [ 0.0008645300000000, -0.0007965100000000, 0.0009104100000000 ] - [ 0.0004722800000000, 0.0002959400000000, -0.0000296200000000 ] - [ 0.0011011800000000, -0.0000547300000000, 0.0005685200000000 ] - [ 0.0006964400000000, -0.0001600400000000, -0.0004362600000000 ] - [ 0.0012359700000000, -0.0006759300000000, 0.0000457000000000 ] - [ 0.0007541400000000, 0.0001902300000000, 0.0002746500000000 ] - [ 0.0002991000000000, 0.0001242900000000, -0.0000136600000000 ] - [ 0.0004403500000000, 0.0000973900000000, -0.0002510400000000 ] - [ 0.0008156800000000, 0.0004931500000000, -0.0005720800000000 ] - [ 0.0002999700000000, 0.0003561800000000, 0.0005273000000000 ]- atom: 53 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0003148800000000, 0.0000945400000000, -0.0000691200000000 ] - [ 0.0001729200000000, -0.0002083600000000, 0.0003899900000000 ] - [ 0.0006868000000000, -0.0000726700000000, -0.0006433000000000 ] - [ 0.0001519800000000, 0.0002304000000000, 0.0001205300000000 ] - [ 0.0005666600000000, 0.0001128000000000, -0.0003911700000000 ] - [ 0.0001242700000000, -0.0002494700000000, -0.0000277400000000 ] - [ 0.0007018100000000, -0.0001037400000000, -0.0001740200000000 ] - [ 0.0001622700000000, 0.0002096600000000, 0.0005040100000000 ] - [ 0.0004777700000000, -0.0004677000000000, -0.0018702000000000 ] - [ 0.0054454200000000, -0.0023240400000000, 0.0039349200000000 ] - [ 0.0022845600000000, 0.0001198500000000, 0.0001685100000000 ] - [ 0.0019091800000000, -0.0001556100000000, 0.0000547700000000 ] - [ 0.0020292100000000, 0.0003028400000000, -0.0002164300000000 ] - [ 0.0023742800000000, -0.0003036000000000, -0.0003680900000000 ] - [ 0.0041528800000000, 0.0000540300000000, -0.0039049400000000 ] - [ -0.0015170300000000, -0.0007475800000000, 0.0014413700000000 ] - [ 0.0017130100000000, 0.0000808000000000, -0.0000713700000000 ] - [ 0.0021510300000000, -0.0009204600000000, 0.0007001600000000 ] - [ 0.0022113400000000, 0.0009514800000000, 0.0005251300000000 ] - [ -0.0040254000000000, -0.0000754100000000, -0.0011405300000000 ] - [ 0.0038300800000000, 0.0004919600000000, 0.0000606200000000 ] - [ -0.0066813100000000, 0.0046694000000000, 0.0065895400000000 ] - [ -0.0001847700000000, 0.0003727700000000, 0.0004402800000000 ] - [ 0.0050926400000000, -0.0058429700000000, 0.0067385700000000 ] - [ 0.0022730900000000, -0.0001528000000000, -0.0004340500000000 ] - [ -0.1218614300000000, 0.0722504000000000, 0.0716165100000000 ] - [ -0.0096506400000000, 0.0050737900000000, -0.0055928000000000 ] - [ -0.0094619200000000, -0.0005310000000000, 0.0037308100000000 ] - [ 0.0025693700000000, 0.0011936200000000, -0.0015853400000000 ] - [ -0.0056627300000000, 0.0009234200000000, 0.0001396400000000 ] - [ 0.0013863000000000, -0.0000248600000000, 0.0001901100000000 ] - [ -0.0020406800000000, -0.0004386600000000, -0.0082972500000000 ] - [ 0.0028313400000000, 0.0002139400000000, 0.0009928200000000 ] - [ 0.0000322700000000, -0.0011576000000000, -0.0033447200000000 ] - [ 0.0023492600000000, 0.0016686400000000, 0.0061597000000000 ] - [ 0.0014373300000000, 0.0009857300000000, 0.0008803100000000 ] - [ 0.0035125200000000, 0.0002778100000000, -0.0005600200000000 ] - [ 0.0018198000000000, -0.0001521900000000, -0.0002761000000000 ] - [ 0.0017616700000000, 0.0003514700000000, 0.0000823100000000 ] - [ 0.0015247000000000, -0.0010307700000000, 0.0008768500000000 ] - [ 0.0024888200000000, -0.0002550000000000, -0.0001446100000000 ] - [ 0.0021691800000000, -0.0001654200000000, -0.0000923800000000 ] - [ 0.0018265100000000, 0.0002970000000000, -0.0003712400000000 ] - [ 0.0018122500000000, -0.0002872700000000, -0.0003942200000000 ] - [ 0.0019825700000000, -0.0004308500000000, 0.0003073600000000 ] - [ 0.0021064700000000, 0.0001682900000000, -0.0001031100000000 ] - [ 0.0007777700000000, 0.0000581300000000, -0.0004703000000000 ] - [ 0.0017629700000000, 0.0001434900000000, -0.0001759800000000 ] - [ -0.0010824800000000, 0.0000186600000000, -0.0004165200000000 ] - [ -0.0010113100000000, -0.0008875300000000, 0.0001839500000000 ] - [ -0.0010286000000000, 0.0005003400000000, 0.0001246700000000 ] - [ 0.0016720800000000, -0.0030180600000000, 0.0029451300000000 ] - [ 0.1464941300000000, -0.0897746100000000, -0.0825518600000000 ] - [ -0.0012046700000000, -0.0000526800000000, -0.0007448200000000 ] - [ 0.0086534700000000, -0.0024400200000000, -0.0022566100000000 ] - [ 0.0020358800000000, -0.0029749400000000, 0.0101037400000000 ] - [ -0.0004040500000000, 0.0001722600000000, 0.0003398800000000 ] - [ 0.0030784700000000, -0.0009789200000000, 0.0008136200000000 ] - [ -0.0008354000000000, -0.0001794500000000, -0.0004492100000000 ] - [ 0.0029829300000000, 0.0016536000000000, 0.0047032400000000 ] - [ -0.0002854700000000, -0.0008616100000000, 0.0003056700000000 ] - [ -0.0002453600000000, 0.0007798800000000, 0.0004614800000000 ] - [ -0.0009017100000000, 0.0003207700000000, 0.0011245700000000 ] - [ -0.0008132900000000, 0.0001896800000000, -0.0005959100000000 ] - [ 0.0009160600000000, -0.0012887600000000, -0.0028351200000000 ] - [ 0.0033229200000000, 0.0012536200000000, -0.0005460700000000 ] - [ 0.0012512200000000, 0.0003049800000000, -0.0002200500000000 ] - [ -0.0017254000000000, -0.0000733200000000, -0.0007584300000000 ] - [ -0.0012394500000000, -0.0000003800000000, -0.0002008400000000 ] - [ -0.0002693300000000, -0.0000315200000000, -0.0006550000000000 ] - [ -0.0010705800000000, 0.0003151300000000, -0.0000206800000000 ] - [ -0.0189144500000000, 0.0065667600000000, 0.0020130200000000 ] - [ -0.0006851400000000, -0.0001449800000000, 0.0061993100000000 ] - [ 0.0000738100000000, 0.0001144000000000, -0.0012383500000000 ] - [ -0.0002861500000000, -0.0001450200000000, 0.0002205000000000 ] - [ -0.0027407600000000, 0.0017770700000000, -0.0088597800000000 ] - [ 0.0011233300000000, -0.0007444000000000, -0.0014908600000000 ] - [ -0.0025653900000000, -0.0011069200000000, -0.0004077600000000 ] - [ 0.0046778600000000, 0.0030040000000000, -0.0019500900000000 ] - [ -0.0014670300000000, 0.0012703200000000, -0.0000713700000000 ] - [ 0.0005887100000000, -0.0002388800000000, 0.0012372600000000 ] - [ 0.0011097100000000, 0.0009763500000000, 0.0014589100000000 ] - [ 0.0009116400000000, 0.0007447400000000, -0.0018153900000000 ] - [ -0.0010352400000000, 0.0000691800000000, -0.0007309600000000 ] - [ -0.0006758900000000, -0.0004449300000000, 0.0000231700000000 ] - [ -0.0063440800000000, 0.0020289200000000, 0.0019100900000000 ] - [ -0.0104317300000000, 0.0041328900000000, -0.0022375500000000 ] - [ -0.0007892700000000, 0.0017101200000000, 0.0021170300000000 ] - [ -0.0010930600000000, 0.0000162000000000, -0.0002962100000000 ] - [ -0.0004067500000000, 0.0002898700000000, -0.0001755400000000 ] - [ 0.0028505300000000, -0.0019703300000000, 0.0016532700000000 ] - [ 0.0010671300000000, -0.0000647000000000, 0.0018132400000000 ] - [ -0.0002730800000000, 0.0002321700000000, 0.0001374800000000 ] - [ 0.0022439200000000, 0.0011332600000000, -0.0005793000000000 ] - [ -0.0014849500000000, -0.0005535900000000, -0.0003649000000000 ] - [ 0.0053175700000000, 0.0020855400000000, -0.0016451100000000 ] - [ -0.0009500800000000, 0.0000880000000000, -0.0002439800000000 ] - [ -0.0010755000000000, -0.0008922700000000, -0.0000392600000000 ] - [ -0.0007367700000000, -0.0001460500000000, -0.0000722500000000 ] - [ -0.0007640400000000, 0.0000807200000000, 0.0006033300000000 ] - [ -0.0009484800000000, 0.0008231300000000, 0.0005489100000000 ] - [ -0.0019145200000000, -0.0001416500000000, -0.0007886700000000 ] - [ -0.0010971400000000, 0.0003633500000000, 0.0002836400000000 ] - [ -0.0005762800000000, 0.0002219600000000, -0.0000813000000000 ] - [ -0.0005389400000000, 0.0009858200000000, -0.0011968000000000 ] - [ -0.0016869100000000, 0.0004960500000000, 0.0000602800000000 ] - [ -0.0006433000000000, -0.0008005800000000, -0.0018875300000000 ] - [ -0.0017273200000000, -0.0004914600000000, 0.0000266400000000 ] - [ -0.0000534300000000, -0.0002250500000000, 0.0021849400000000 ] - [ -0.0004483600000000, 0.0014642700000000, -0.0012431500000000 ] - [ -0.0005218500000000, 0.0000247800000000, -0.0002380300000000 ] - [ -0.0001087600000000, -0.0002945000000000, 0.0005646700000000 ] - [ -0.0005439500000000, -0.0004943900000000, 0.0000320400000000 ] - [ -0.0009124700000000, -0.0008012000000000, 0.0005401400000000 ] - [ -0.0004818300000000, 0.0005556000000000, 0.0000646600000000 ] - [ -0.0015973900000000, -0.0000033700000000, -0.0002931200000000 ] - [ -0.0014287100000000, 0.0001564100000000, -0.0004413500000000 ] - [ -0.0009511900000000, 0.0000993100000000, -0.0006696500000000 ] - [ -0.0011911100000000, 0.0003146400000000, -0.0002906400000000 ] - [ -0.0009755600000000, -0.0000164300000000, -0.0006419900000000 ] - [ -0.0005809300000000, 0.0005530200000000, -0.0000508800000000 ] - [ -0.0005271800000000, -0.0000368300000000, -0.0000207800000000 ] - [ 0.0000016000000000, 0.0000309400000000, 0.0011409100000000 ] - [ -0.0006997800000000, -0.0008142100000000, 0.0004798900000000 ] - [ -0.0006193900000000, 0.0002322600000000, -0.0002535600000000 ] - [ -0.0012033500000000, -0.0000643300000000, -0.0007683300000000 ] - [ -0.0010853500000000, -0.0003605700000000, 0.0002794300000000 ] - [ -0.0013652700000000, 0.0010670200000000, 0.0001678100000000 ] - [ -0.0005798600000000, -0.0002166500000000, -0.0003179500000000 ] - [ -0.0011381100000000, -0.0000688400000000, 0.0006025500000000 ] - [ -0.0009329900000000, -0.0006626300000000, 0.0003533800000000 ] - [ -0.0006377700000000, -0.0000581800000000, -0.0005951800000000 ] - [ -0.0008570100000000, -0.0005341100000000, -0.0000501300000000 ] - [ -0.0005102000000000, -0.0005690300000000, 0.0000473400000000 ] - [ -0.0012288600000000, 0.0000971700000000, 0.0006155000000000 ] - [ -0.0008678900000000, 0.0006216100000000, 0.0003061600000000 ] - [ -0.0008863900000000, 0.0001026400000000, -0.0006890200000000 ] - [ -0.0003104800000000, 0.0002475800000000, -0.0000883100000000 ] - [ -0.0009027400000000, 0.0000112600000000, -0.0006373400000000 ] - [ -0.0006872900000000, 0.0008249000000000, 0.0004482800000000 ] - [ -0.0006284900000000, 0.0001100800000000, -0.0000282100000000 ] - [ -0.0005694800000000, -0.0002185800000000, -0.0000635100000000 ] - [ -0.0014884000000000, -0.0004618300000000, 0.0000212300000000 ] - [ -0.0007730500000000, -0.0000831900000000, 0.0006185200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001669200000000, 0.0000961400000000, -0.0002162300000000 ] - [ -0.0000754600000000, -0.0002322400000000, 0.0002725000000000 ] - [ 0.0004698000000000, -0.0000898700000000, -0.0004366100000000 ] - [ -0.0000449900000000, 0.0002405500000000, 0.0001494500000000 ] - [ 0.0002887000000000, 0.0001162300000000, -0.0003723000000000 ] - [ -0.0001203200000000, -0.0002568500000000, -0.0000098000000000 ] - [ 0.0004011700000000, -0.0001091500000000, -0.0002046900000000 ] - [ -0.0000621800000000, 0.0002276300000000, 0.0004109100000000 ] - [ 0.0006588900000000, -0.0002102400000000, -0.0015463000000000 ] - [ 0.0022367500000000, -0.0010273700000000, 0.0015617500000000 ] - [ 0.0011902300000000, 0.0001859300000000, 0.0001381500000000 ] - [ 0.0010380900000000, -0.0001968900000000, 0.0000759900000000 ] - [ 0.0011375800000000, 0.0002355200000000, -0.0002567100000000 ] - [ 0.0013952600000000, -0.0002341100000000, -0.0003793300000000 ] - [ 0.0020306500000000, -0.0002279500000000, -0.0032620600000000 ] - [ -0.0012907300000000, -0.0005313000000000, 0.0011752400000000 ] - [ 0.0009443100000000, 0.0000175800000000, -0.0000258700000000 ] - [ 0.0014682300000000, -0.0008707600000000, 0.0005589900000000 ] - [ 0.0015065600000000, 0.0008878900000000, 0.0004871800000000 ] - [ -0.0026187900000000, 0.0003136800000000, 0.0004477400000000 ] - [ 0.0022379600000000, 0.0002496300000000, 0.0001163700000000 ] - [ -0.0053508000000000, -0.0001254700000000, 0.0019597900000000 ] - [ -0.0002108900000000, 0.0001062700000000, -0.0004684300000000 ] - [ 0.0073880900000000, -0.0002706800000000, 0.0056724300000000 ] - [ 0.0015075700000000, -0.0000469300000000, -0.0004163800000000 ] - [ -0.0860774700000000, 0.0937805000000000, 0.0629940800000000 ] - [ -0.0075208900000000, 0.0048020200000000, 0.0014991100000000 ] - [ -0.0053588700000000, -0.0001083100000000, 0.0028366000000000 ] - [ 0.0025449600000000, -0.0003532200000000, 0.0004993800000000 ] - [ -0.0024192400000000, 0.0001668000000000, -0.0003543800000000 ] - [ 0.0007660700000000, 0.0000018900000000, 0.0000537100000000 ] - [ -0.0027810800000000, 0.0035777500000000, -0.0068614000000000 ] - [ 0.0019371700000000, 0.0001761900000000, 0.0007261800000000 ] - [ -0.0002462200000000, -0.0010725100000000, -0.0019462700000000 ] - [ 0.0010526300000000, 0.0007266700000000, 0.0043275500000000 ] - [ 0.0006697000000000, 0.0008019800000000, 0.0008565100000000 ] - [ 0.0022050600000000, 0.0001192000000000, -0.0004896900000000 ] - [ 0.0010352800000000, -0.0000471400000000, -0.0002696200000000 ] - [ 0.0010396700000000, 0.0001499500000000, -0.0000207600000000 ] - [ 0.0007118500000000, -0.0008245800000000, 0.0008603500000000 ] - [ 0.0014535800000000, -0.0001182600000000, -0.0000923000000000 ] - [ 0.0013593700000000, -0.0001881600000000, 0.0000355600000000 ] - [ 0.0010226800000000, 0.0003178600000000, -0.0002191500000000 ] - [ 0.0010184100000000, -0.0003144900000000, -0.0002233200000000 ] - [ 0.0012116400000000, -0.0002084700000000, 0.0001458600000000 ] - [ 0.0013153000000000, 0.0001918200000000, 0.0000255300000000 ] - [ 0.0002402300000000, 0.0000612600000000, -0.0003028800000000 ] - [ 0.0009944900000000, 0.0000408500000000, -0.0001894600000000 ] - [ -0.0008257600000000, 0.0000738200000000, -0.0003626600000000 ] - [ -0.0007620700000000, -0.0007420600000000, 0.0000705000000000 ] - [ -0.0006657200000000, -0.0001318900000000, -0.0004409100000000 ] - [ 0.0010306600000000, -0.0012388700000000, 0.0008754400000000 ] - [ 0.0895957800000000, -0.0927157200000000, -0.0575521400000000 ] - [ -0.0008390400000000, -0.0000283500000000, -0.0006515900000000 ] - [ 0.0021668500000000, 0.0082730400000000, -0.0066600000000000 ] - [ 0.0066737200000000, -0.0113371500000000, -0.0012573100000000 ] - [ -0.0001123000000000, 0.0001069700000000, 0.0002523500000000 ] - [ 0.0018050600000000, -0.0006667500000000, 0.0005610400000000 ] - [ -0.0004869000000000, -0.0000746300000000, -0.0004726500000000 ] - [ 0.0022668800000000, 0.0018875200000000, 0.0035108800000000 ] - [ -0.0000046200000000, -0.0007620900000000, 0.0003600500000000 ] - [ 0.0000093900000000, 0.0007263900000000, 0.0004293300000000 ] - [ -0.0007064300000000, 0.0002990500000000, 0.0003109000000000 ] - [ -0.0004679900000000, 0.0000770100000000, -0.0005384600000000 ] - [ 0.0010084300000000, 0.0001624000000000, -0.0006104100000000 ] - [ 0.0016107500000000, 0.0005147200000000, 0.0000205000000000 ] - [ 0.0009921700000000, 0.0001888200000000, -0.0003906500000000 ] - [ -0.0008360600000000, -0.0000470300000000, -0.0004344300000000 ] - [ -0.0009385700000000, -0.0000570100000000, -0.0002940300000000 ] - [ 0.0000588700000000, 0.0001637300000000, -0.0003402600000000 ] - [ -0.0008096600000000, 0.0002044800000000, -0.0000722400000000 ] - [ -0.0001153200000000, -0.0102396400000000, -0.0055844700000000 ] - [ -0.0023360500000000, -0.0003096200000000, 0.0089319600000000 ] - [ 0.0000015700000000, -0.0000259200000000, -0.0004843900000000 ] - [ -0.0000564500000000, -0.0000905300000000, 0.0002068000000000 ] - [ -0.0003794900000000, -0.0014507800000000, -0.0043674100000000 ] - [ 0.0012402500000000, -0.0005037800000000, -0.0014167500000000 ] - [ -0.0014296900000000, -0.0002753700000000, -0.0006543100000000 ] - [ 0.0025715200000000, 0.0016099800000000, -0.0010700200000000 ] - [ -0.0008334900000000, 0.0007710000000000, -0.0001738100000000 ] - [ 0.0002213800000000, -0.0005873000000000, 0.0008109700000000 ] - [ 0.0007370500000000, 0.0008274700000000, 0.0011001100000000 ] - [ 0.0005073700000000, 0.0007042300000000, -0.0018169600000000 ] - [ -0.0007737600000000, 0.0000210000000000, -0.0006094400000000 ] - [ -0.0002844000000000, -0.0002487200000000, -0.0001366000000000 ] - [ -0.0026934500000000, -0.0022861700000000, 0.0009103900000000 ] - [ -0.0096983400000000, 0.0036723200000000, -0.0020985800000000 ] - [ -0.0002821400000000, 0.0005666000000000, 0.0022547500000000 ] - [ -0.0006013000000000, 0.0000167200000000, -0.0001943400000000 ] - [ -0.0001516200000000, 0.0001915500000000, -0.0001912900000000 ] - [ 0.0015376000000000, -0.0010961800000000, 0.0008640700000000 ] - [ 0.0009896300000000, 0.0000969900000000, 0.0005563200000000 ] - [ -0.0002654700000000, 0.0001018800000000, 0.0002652400000000 ] - [ 0.0007507700000000, 0.0004230400000000, 0.0003401300000000 ] - [ -0.0008515500000000, -0.0001809900000000, -0.0003968000000000 ] - [ 0.0031011400000000, 0.0022380500000000, -0.0010514800000000 ] - [ -0.0007008500000000, 0.0001180500000000, -0.0002868000000000 ] - [ -0.0006931900000000, -0.0006845200000000, -0.0001181700000000 ] - [ -0.0004946900000000, -0.0001375500000000, -0.0000518800000000 ] - [ -0.0005281600000000, -0.0000169600000000, 0.0005924700000000 ] - [ -0.0004631500000000, 0.0005540900000000, 0.0003961400000000 ] - [ -0.0014682600000000, -0.0000926100000000, -0.0006089600000000 ] - [ -0.0006246300000000, 0.0001021200000000, 0.0001301800000000 ] - [ -0.0003483000000000, 0.0001508000000000, -0.0001179200000000 ] - [ -0.0002274500000000, 0.0009895600000000, -0.0008093700000000 ] - [ -0.0011727800000000, 0.0003585300000000, 0.0001886200000000 ] - [ -0.0003331700000000, -0.0004477300000000, -0.0014923800000000 ] - [ -0.0011869000000000, -0.0003551000000000, 0.0001749400000000 ] - [ 0.0002320800000000, -0.0002401200000000, 0.0016253000000000 ] - [ -0.0000418400000000, 0.0012484100000000, -0.0007444300000000 ] - [ -0.0002766300000000, 0.0000316900000000, -0.0002498200000000 ] - [ 0.0001470200000000, -0.0002749700000000, 0.0002471200000000 ] - [ -0.0002216600000000, -0.0003469600000000, 0.0000295400000000 ] - [ -0.0004413300000000, -0.0005410000000000, 0.0003906200000000 ] - [ -0.0002097900000000, 0.0004878000000000, 0.0000103300000000 ] - [ -0.0008198800000000, -0.0000004000000000, -0.0001247800000000 ] - [ -0.0010915500000000, 0.0000713200000000, -0.0004163100000000 ] - [ -0.0004374100000000, 0.0001219400000000, -0.0005200500000000 ] - [ -0.0007812600000000, 0.0001488900000000, -0.0003204600000000 ] - [ -0.0004720600000000, 0.0001394300000000, -0.0004874100000000 ] - [ -0.0002505600000000, 0.0003923000000000, -0.0000348500000000 ] - [ -0.0002763900000000, -0.0000408700000000, -0.0000856000000000 ] - [ 0.0002332100000000, 0.0000171300000000, 0.0007073400000000 ] - [ -0.0003734500000000, -0.0006788900000000, 0.0004233800000000 ] - [ -0.0002066300000000, 0.0000904500000000, -0.0002296700000000 ] - [ -0.0006253100000000, -0.0000935800000000, -0.0005891300000000 ] - [ -0.0006179400000000, -0.0000995700000000, 0.0001252200000000 ] - [ -0.0009001900000000, 0.0008118100000000, 0.0000496200000000 ] - [ -0.0001789500000000, -0.0000787800000000, -0.0002795000000000 ] - [ -0.0007151300000000, 0.0001172700000000, 0.0006764500000000 ] - [ -0.0006112400000000, -0.0005758600000000, 0.0002632400000000 ] - [ -0.0004684300000000, -0.0000491300000000, -0.0005653700000000 ] - [ -0.0004769600000000, -0.0003672500000000, -0.0001236800000000 ] - [ -0.0002212400000000, -0.0004915700000000, 0.0000003900000000 ] - [ -0.0007573000000000, -0.0001037800000000, 0.0006779800000000 ] - [ -0.0005623400000000, 0.0005450400000000, 0.0002253400000000 ] - [ -0.0003743300000000, 0.0000766400000000, -0.0004606700000000 ] - [ -0.0000223700000000, 0.0001339400000000, -0.0001767100000000 ] - [ -0.0004188900000000, -0.0001424200000000, -0.0004852000000000 ] - [ -0.0003652300000000, 0.0006817300000000, 0.0004127700000000 ] - [ -0.0004097800000000, 0.0001108000000000, -0.0000218900000000 ] - [ -0.0003432500000000, -0.0001469500000000, -0.0001026200000000 ] - [ -0.0010035800000000, -0.0002563500000000, -0.0000689700000000 ] - [ -0.0005339800000000, 0.0000141700000000, 0.0005953500000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001968400000000, 0.0001410000000000, -0.0003818400000000 ] - [ -0.0006113800000000, -0.0002862500000000, 0.0000589400000000 ] - [ -0.0005015900000000, -0.0001472200000000, -0.0001600600000000 ] - [ -0.0006420600000000, 0.0002776700000000, 0.0001829300000000 ] - [ -0.0003202700000000, 0.0001205400000000, -0.0002248000000000 ] - [ -0.0005666300000000, -0.0002616200000000, 0.0003430100000000 ] - [ -0.0004331700000000, -0.0001281000000000, -0.0003935100000000 ] - [ -0.0006246300000000, 0.0002907100000000, -0.0000799900000000 ] - [ -0.0004427400000000, 0.0005164200000000, 0.0008500400000000 ] - [ -0.0020402600000000, 0.0007339000000000, -0.0022836100000000 ] - [ -0.0013826900000000, 0.0003241400000000, 0.0000615200000000 ] - [ -0.0012292400000000, -0.0003126300000000, 0.0001238800000000 ] - [ -0.0009228600000000, 0.0000679600000000, -0.0004435400000000 ] - [ -0.0011822300000000, -0.0000691200000000, -0.0003202400000000 ] - [ -0.0022289600000000, 0.0007355000000000, 0.0034795000000000 ] - [ 0.0011114900000000, 0.0000225000000000, -0.0009796100000000 ] - [ -0.0009728700000000, -0.0001183500000000, -0.0000701100000000 ] - [ -0.0002130600000000, -0.0007452900000000, 0.0002678800000000 ] - [ -0.0002518200000000, 0.0007281500000000, 0.0003403100000000 ] - [ 0.0020601000000000, 0.0008426400000000, 0.0012147900000000 ] - [ -0.0014191100000000, -0.0003013200000000, -0.0004473600000000 ] - [ 0.0055029400000000, 0.0002755600000000, -0.0024213100000000 ] - [ 0.0006163200000000, -0.0002671500000000, 0.0002704400000000 ] - [ -0.0080247600000000, -0.0009015000000000, -0.0041299600000000 ] - [ -0.0006838600000000, 0.0000979200000000, 0.0000868800000000 ] - [ 0.0840815800000000, -0.0930103000000000, -0.0603888600000000 ] - [ 0.0076254100000000, -0.0040075900000000, -0.0016400600000000 ] - [ 0.0054400300000000, -0.0005832500000000, -0.0028964300000000 ] - [ -0.0021359300000000, 0.0004973600000000, -0.0006936600000000 ] - [ 0.0031267700000000, 0.0002692900000000, 0.0007331900000000 ] - [ -0.0007933500000000, 0.0000991000000000, -0.0001508000000000 ] - [ 0.0028885600000000, -0.0037111200000000, 0.0063974500000000 ] - [ -0.0019717200000000, -0.0002787600000000, -0.0008274800000000 ] - [ 0.0015123800000000, -0.0005417600000000, 0.0027926000000000 ] - [ 0.0002137300000000, 0.0009071400000000, -0.0035184100000000 ] - [ -0.0012456100000000, 0.0003472400000000, 0.0008089100000000 ] - [ -0.0013863100000000, -0.0001704700000000, 0.0001601400000000 ] - [ -0.0009315200000000, 0.0002167900000000, -0.0001970700000000 ] - [ -0.0006444200000000, -0.0003115600000000, -0.0001808900000000 ] - [ -0.0012883000000000, -0.0003242400000000, 0.0008051300000000 ] - [ -0.0006300500000000, 0.0001694500000000, -0.0002386000000000 ] - [ -0.0006692700000000, -0.0002493900000000, 0.0003433000000000 ] - [ -0.0009593500000000, 0.0003737600000000, 0.0001760600000000 ] - [ -0.0009549100000000, -0.0003770400000000, 0.0001806800000000 ] - [ -0.0008170700000000, 0.0003703500000000, -0.0003482500000000 ] - [ -0.0006249400000000, 0.0002458400000000, 0.0003530600000000 ] - [ -0.0002652000000000, 0.0000393500000000, 0.0002087900000000 ] - [ -0.0008902500000000, -0.0002103700000000, -0.0002778700000000 ] - [ -0.0002163600000000, 0.0001967400000000, -0.0003300400000000 ] - [ 0.0001948100000000, -0.0001940200000000, -0.0003932800000000 ] - [ 0.0003375500000000, -0.0001075400000000, 0.0003963400000000 ] - [ -0.0015054500000000, 0.0009490900000000, 0.0002689500000000 ] - [ -0.0869118500000000, 0.0920472600000000, 0.0561550100000000 ] - [ -0.0000012900000000, 0.0000834900000000, -0.0003227200000000 ] - [ -0.0022799200000000, -0.0086227500000000, 0.0063911800000000 ] - [ -0.0066735800000000, 0.0113169700000000, 0.0009027400000000 ] - [ 0.0005931000000000, -0.0000593600000000, 0.0000853000000000 ] - [ -0.0028665200000000, 0.0010416800000000, 0.0001448000000000 ] - [ 0.0003953900000000, 0.0001920600000000, -0.0005004200000000 ] - [ -0.0033309800000000, -0.0022829600000000, -0.0028267800000000 ] - [ 0.0006717700000000, -0.0005410000000000, 0.0004516100000000 ] - [ 0.0006577200000000, 0.0005772100000000, 0.0003817400000000 ] - [ 0.0007708800000000, -0.0002127500000000, -0.0007456800000000 ] - [ 0.0003764300000000, -0.0001943400000000, -0.0004340100000000 ] - [ -0.0006826700000000, -0.0005274700000000, 0.0006130600000000 ] - [ -0.0013399600000000, -0.0009580200000000, 0.0003945900000000 ] - [ -0.0007344800000000, 0.0006133500000000, 0.0002794000000000 ] - [ 0.0010535200000000, -0.0000008300000000, 0.0003132100000000 ] - [ -0.0001029200000000, -0.0002134300000000, -0.0003998700000000 ] - [ 0.0002210100000000, 0.0001211500000000, -0.0003676200000000 ] - [ 0.0001356100000000, -0.0002357800000000, -0.0004790500000000 ] - [ 0.0005731400000000, 0.0107803200000000, 0.0048878600000000 ] - [ 0.0026333300000000, 0.0006966800000000, -0.0088564700000000 ] - [ 0.0000610600000000, -0.0000598800000000, 0.0000568300000000 ] - [ 0.0005367200000000, 0.0000432200000000, 0.0001314600000000 ] - [ 0.0004073800000000, 0.0004730800000000, 0.0051031500000000 ] - [ -0.0006351600000000, 0.0003342800000000, 0.0009831500000000 ] - [ 0.0017176700000000, -0.0000025500000000, -0.0000545900000000 ] - [ -0.0026692000000000, -0.0011785700000000, 0.0009551600000000 ] - [ 0.0002681500000000, 0.0001625800000000, -0.0001486100000000 ] - [ 0.0003999500000000, 0.0007611100000000, -0.0012472400000000 ] - [ -0.0011090500000000, -0.0001323000000000, 0.0004236900000000 ] - [ -0.0009117000000000, -0.0016334000000000, 0.0020964200000000 ] - [ -0.0000672100000000, -0.0000759200000000, -0.0003648800000000 ] - [ 0.0006727800000000, 0.0001630300000000, -0.0003882800000000 ] - [ 0.0030069900000000, 0.0015303000000000, -0.0010277900000000 ] - [ 0.0094678300000000, -0.0044433200000000, 0.0036752900000000 ] - [ -0.0001126700000000, 0.0003456900000000, -0.0019698500000000 ] - [ 0.0008170700000000, 0.0000318700000000, 0.0000710800000000 ] - [ 0.0005388900000000, -0.0001050500000000, -0.0003335200000000 ] - [ -0.0012137600000000, 0.0004368600000000, -0.0014625200000000 ] - [ -0.0009354400000000, 0.0009223900000000, 0.0001716400000000 ] - [ -0.0000656800000000, 0.0001333300000000, -0.0003092800000000 ] - [ -0.0008826600000000, -0.0005417500000000, -0.0006545300000000 ] - [ 0.0001780100000000, 0.0002140000000000, -0.0001528700000000 ] - [ -0.0035860900000000, -0.0019835500000000, 0.0022030500000000 ] - [ -0.0003418100000000, 0.0001521900000000, -0.0004065900000000 ] - [ 0.0001258000000000, -0.0002515800000000, -0.0002037600000000 ] - [ 0.0001660400000000, -0.0000965100000000, 0.0000106900000000 ] - [ 0.0000549400000000, -0.0002559400000000, 0.0005533500000000 ] - [ 0.0007447500000000, -0.0001155800000000, 0.0000161800000000 ] - [ 0.0006319200000000, 0.0001487700000000, -0.0003649400000000 ] - [ 0.0005462700000000, -0.0005469800000000, -0.0002561800000000 ] - [ 0.0002192100000000, -0.0000295400000000, -0.0001967000000000 ] - [ 0.0007090500000000, -0.0009500400000000, 0.0011556000000000 ] - [ 0.0001188600000000, 0.0000155700000000, 0.0005168200000000 ] - [ 0.0002397200000000, 0.0005655900000000, 0.0005245400000000 ] - [ 0.0001334900000000, -0.0000183600000000, 0.0005309100000000 ] - [ 0.0004348100000000, -0.0010661000000000, -0.0008244600000000 ] - [ 0.0007073900000000, 0.0000504400000000, 0.0015600800000000 ] - [ 0.0003421700000000, 0.0000546200000000, -0.0001815900000000 ] - [ -0.0002420200000000, 0.0001595600000000, -0.0012250200000000 ] - [ 0.0005576200000000, -0.0000106000000000, -0.0000188700000000 ] - [ 0.0007227600000000, 0.0001025900000000, 0.0000220300000000 ] - [ 0.0004731100000000, 0.0003136100000000, -0.0001243600000000 ] - [ 0.0010373500000000, -0.0000476500000000, 0.0000019900000000 ] - [ 0.0000509600000000, -0.0003428000000000, -0.0002765800000000 ] - [ 0.0007205300000000, 0.0001634400000000, -0.0001862600000000 ] - [ 0.0001067700000000, -0.0001801400000000, -0.0002293900000000 ] - [ 0.0008050000000000, 0.0005253500000000, -0.0001050100000000 ] - [ 0.0005864900000000, -0.0000344500000000, 0.0000460800000000 ] - [ 0.0003418100000000, -0.0000449700000000, -0.0003463100000000 ] - [ 0.0002457500000000, -0.0000649000000000, -0.0003734900000000 ] - [ 0.0004398200000000, -0.0003363100000000, 0.0002990700000000 ] - [ 0.0008319800000000, -0.0002692400000000, -0.0002020800000000 ] - [ 0.0009092700000000, -0.0001917600000000, -0.0001166100000000 ] - [ 0.0005399600000000, 0.0005445400000000, -0.0002517900000000 ] - [ 0.0003342300000000, 0.0001234800000000, -0.0003725100000000 ] - [ 0.0008039500000000, 0.0002575600000000, -0.0001520000000000 ] - [ 0.0003511200000000, 0.0005824900000000, 0.0008495500000000 ] - [ 0.0002156000000000, -0.0003416800000000, 0.0000130500000000 ] - [ -0.0003742500000000, -0.0000051700000000, -0.0004097500000000 ] - [ 0.0008665500000000, 0.0002822700000000, -0.0004011500000000 ] - [ 0.0004846300000000, -0.0003097000000000, -0.0001142100000000 ] - [ 0.0003935200000000, -0.0005957100000000, 0.0008476000000000 ] - [ 0.0001661600000000, 0.0003728400000000, 0.0000510100000000 ] - [ 0.0005887300000000, -0.0000282100000000, 0.0003385400000000 ] - [ 0.0004091300000000, -0.0000471800000000, -0.0003483900000000 ] - [ 0.0007516500000000, -0.0005222700000000, -0.0001067800000000 ] - [ 0.0004315500000000, 0.0003335600000000, 0.0003096300000000 ] - [ 0.0000798400000000, 0.0001244200000000, -0.0000198600000000 ] - [ 0.0002141500000000, 0.0000259300000000, -0.0002118400000000 ] - [ 0.0003305800000000, 0.0002885900000000, -0.0004823100000000 ] - [ 0.0000608600000000, 0.0002588400000000, 0.0005501900000000 ]- atom: 53 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0001777800000000, 0.0000565300000000, -0.0003080200000000 ] - [ -0.0002208100000000, -0.0002435400000000, 0.0002447900000000 ] - [ 0.0005094500000000, -0.0001333200000000, -0.0003192300000000 ] - [ -0.0001236600000000, 0.0002476900000000, 0.0001469800000000 ] - [ 0.0002186800000000, 0.0001153200000000, -0.0003047700000000 ] - [ -0.0000770000000000, -0.0002456200000000, 0.0002073400000000 ] - [ 0.0001808200000000, -0.0001157000000000, -0.0002832600000000 ] - [ -0.0002896300000000, 0.0002515600000000, 0.0001690300000000 ] - [ 0.0011116000000000, -0.0003058100000000, -0.0022588900000000 ] - [ 0.0012272600000000, -0.0008489400000000, 0.0022093800000000 ] - [ 0.0006692600000000, 0.0002175700000000, 0.0001427300000000 ] - [ 0.0005922800000000, -0.0002155600000000, 0.0000653800000000 ] - [ 0.0007595200000000, 0.0002016300000000, -0.0003384200000000 ] - [ 0.0008463400000000, -0.0002037200000000, -0.0003225700000000 ] - [ 0.0021759000000000, 0.0000419900000000, 0.0007727800000000 ] - [ -0.0005874000000000, -0.0006250300000000, -0.0011080800000000 ] - [ 0.0006131400000000, -0.0000131400000000, -0.0000013900000000 ] - [ 0.0011177800000000, -0.0008431600000000, 0.0005003300000000 ] - [ 0.0011689300000000, 0.0008582200000000, 0.0004593400000000 ] - [ -0.0004974200000000, 0.0007014300000000, -0.0040651400000000 ] - [ 0.0015569100000000, 0.0001533300000000, 0.0002760200000000 ] - [ -0.0102748300000000, 0.0007270400000000, 0.0029225900000000 ] - [ -0.0014620600000000, -0.0002375800000000, -0.0023225000000000 ] - [ 0.0065757800000000, -0.0050826200000000, 0.0152640700000000 ] - [ 0.0010200500000000, 0.0000305500000000, -0.0007156900000000 ] - [ -0.0812766500000000, 0.0645281400000000, 0.0955619200000000 ] - [ 0.0049723300000000, 0.0058698700000000, -0.0082285800000000 ] - [ -0.0044417300000000, 0.0016732400000000, -0.0026478400000000 ] - [ 0.0030452300000000, 0.0001847500000000, 0.0019273300000000 ] - [ -0.0029397100000000, 0.0009149900000000, -0.0046998800000000 ] - [ 0.0003995200000000, 0.0000167500000000, -0.0000241400000000 ] - [ 0.0025223500000000, -0.0029743500000000, -0.0086287500000000 ] - [ 0.0004103000000000, 0.0000455800000000, 0.0005338000000000 ] - [ 0.0020605400000000, -0.0009274700000000, -0.0005544900000000 ] - [ -0.0010125400000000, -0.0003118900000000, 0.0010162000000000 ] - [ 0.0002855100000000, 0.0007105400000000, 0.0008407800000000 ] - [ 0.0014087800000000, 0.0000979400000000, -0.0000257300000000 ] - [ 0.0006402000000000, 0.0000041900000000, -0.0002356000000000 ] - [ 0.0007460300000000, 0.0000599100000000, -0.0000418100000000 ] - [ 0.0003122800000000, -0.0007261200000000, 0.0008554200000000 ] - [ 0.0011662900000000, -0.0000615000000000, -0.0003849300000000 ] - [ 0.0009465300000000, -0.0002004300000000, 0.0000988300000000 ] - [ 0.0006251300000000, 0.0003292300000000, -0.0001349400000000 ] - [ 0.0006249200000000, -0.0003264100000000, -0.0001467000000000 ] - [ 0.0007606700000000, -0.0000902600000000, 0.0000352200000000 ] - [ 0.0009328100000000, 0.0002022700000000, 0.0000885800000000 ] - [ 0.0006823700000000, 0.0000524200000000, -0.0003835200000000 ] - [ 0.0006185900000000, -0.0000107200000000, -0.0002262600000000 ] - [ -0.0006458700000000, 0.0001073500000000, -0.0003315300000000 ] - [ -0.0007076500000000, -0.0006935900000000, 0.0001173400000000 ] - [ -0.0006080600000000, -0.0003332800000000, -0.0008747500000000 ] - [ -0.0000526800000000, -0.0036331600000000, 0.0047632900000000 ] - [ 0.0844713700000000, -0.0591031000000000, -0.1080243000000000 ] - [ -0.0006659600000000, -0.0000234900000000, -0.0006275000000000 ] - [ 0.0024362400000000, -0.0066764400000000, 0.0025976800000000 ] - [ -0.0107942300000000, 0.0062752500000000, 0.0148407000000000 ] - [ 0.0000216900000000, 0.0000783300000000, 0.0002143000000000 ] - [ 0.0016599200000000, -0.0009916500000000, 0.0016204200000000 ] - [ -0.0003211100000000, -0.0000236000000000, -0.0004728000000000 ] - [ -0.0021786100000000, -0.0017056700000000, -0.0007252800000000 ] - [ 0.0001355300000000, -0.0007193300000000, 0.0003735100000000 ] - [ 0.0001351400000000, 0.0006947100000000, 0.0004241600000000 ] - [ -0.0006009100000000, 0.0001444200000000, -0.0000640700000000 ] - [ -0.0002886200000000, 0.0000202300000000, -0.0005241600000000 ] - [ 0.0022428000000000, 0.0007880800000000, 0.0008923700000000 ] - [ 0.0009416200000000, -0.0000107300000000, 0.0014152000000000 ] - [ -0.0001635600000000, 0.0010696500000000, 0.0012502700000000 ] - [ -0.0004383100000000, -0.0000411300000000, -0.0003224200000000 ] - [ -0.0008247100000000, -0.0000789400000000, -0.0003390500000000 ] - [ 0.0006572000000000, 0.0003822200000000, 0.0002178900000000 ] - [ -0.0008249200000000, 0.0002295500000000, 0.0000529000000000 ] - [ -0.0010159700000000, -0.0053072500000000, -0.0095145200000000 ] - [ -0.0013846200000000, 0.0011429500000000, 0.0033529800000000 ] - [ 0.0002570300000000, -0.0001337000000000, -0.0002537100000000 ] - [ 0.0000698800000000, -0.0000588700000000, 0.0001972100000000 ] - [ 0.0053882800000000, -0.0032431900000000, -0.0007285200000000 ] - [ 0.0030580700000000, -0.0011892300000000, -0.0012160100000000 ] - [ -0.0011399600000000, 0.0000343900000000, -0.0009501400000000 ] - [ 0.0017668500000000, 0.0012085000000000, 0.0001779800000000 ] - [ -0.0005579300000000, 0.0006768900000000, -0.0002697700000000 ] - [ -0.0008784600000000, -0.0003991400000000, 0.0012249600000000 ] - [ -0.0002462600000000, 0.0002003900000000, 0.0016760800000000 ] - [ 0.0016006600000000, 0.0012587500000000, -0.0027557500000000 ] - [ -0.0006387100000000, -0.0000153800000000, -0.0005138400000000 ] - [ -0.0001179800000000, -0.0001546500000000, -0.0002209800000000 ] - [ -0.0031968700000000, 0.0018892700000000, -0.0013756000000000 ] - [ -0.0028607900000000, 0.0006557000000000, -0.0013232000000000 ] - [ -0.0021731500000000, 0.0025572400000000, 0.0025711100000000 ] - [ -0.0003516300000000, 0.0000106900000000, -0.0000812000000000 ] - [ 0.0000134100000000, 0.0001419900000000, -0.0001839100000000 ] - [ 0.0022407700000000, -0.0019028900000000, 0.0022715400000000 ] - [ -0.0009961500000000, 0.0005594200000000, 0.0037587600000000 ] - [ -0.0000776300000000, -0.0000848100000000, 0.0009441600000000 ] - [ 0.0011673500000000, 0.0014416700000000, 0.0022277600000000 ] - [ -0.0004983900000000, -0.0000476300000000, -0.0005460000000000 ] - [ 0.0016815600000000, 0.0007954900000000, 0.0000819600000000 ] - [ -0.0007825700000000, 0.0001264800000000, -0.0002611500000000 ] - [ -0.0005464100000000, -0.0006103800000000, -0.0000793000000000 ] - [ -0.0003373900000000, -0.0001235300000000, -0.0000454500000000 ] - [ -0.0004116000000000, -0.0000643700000000, 0.0005835600000000 ] - [ -0.0002194000000000, 0.0004190100000000, 0.0003179100000000 ] - [ -0.0008229800000000, -0.0000906800000000, -0.0008444200000000 ] - [ -0.0003897600000000, -0.0000281500000000, 0.0000503800000000 ] - [ -0.0002336800000000, 0.0001145200000000, -0.0001324700000000 ] - [ 0.0003670900000000, 0.0003705800000000, -0.0007300800000000 ] - [ -0.0009166100000000, 0.0002896500000000, 0.0002561900000000 ] - [ 0.0003215100000000, 0.0001118100000000, -0.0005752800000000 ] - [ -0.0009208900000000, -0.0002879300000000, 0.0002440900000000 ] - [ -0.0000688400000000, -0.0006674400000000, 0.0006741100000000 ] - [ 0.0005776400000000, 0.0008250800000000, 0.0006254600000000 ] - [ -0.0001377600000000, 0.0000392800000000, -0.0002099400000000 ] - [ -0.0006650600000000, 0.0000323000000000, -0.0002927000000000 ] - [ -0.0000729800000000, -0.0002882700000000, 0.0000080000000000 ] - [ -0.0002099800000000, -0.0004130100000000, 0.0003188800000000 ] - [ -0.0000752400000000, 0.0004551100000000, -0.0000121600000000 ] - [ -0.0006410100000000, -0.0000218700000000, -0.0003032000000000 ] - [ -0.0006950900000000, -0.0000411400000000, -0.0004331500000000 ] - [ -0.0002247200000000, 0.0001206900000000, -0.0004458800000000 ] - [ -0.0006287400000000, 0.0001014400000000, -0.0002157200000000 ] - [ -0.0002099500000000, 0.0002165900000000, -0.0004143200000000 ] - [ -0.0000753900000000, 0.0002985800000000, -0.0000076300000000 ] - [ -0.0001663900000000, -0.0000386400000000, -0.0001628700000000 ] - [ -0.0002125500000000, 0.0000399100000000, 0.0008780900000000 ] - [ -0.0002129100000000, -0.0006126900000000, 0.0003965800000000 ] - [ -0.0000004000000000, 0.0000184700000000, -0.0002345300000000 ] - [ -0.0002994800000000, -0.0001237900000000, -0.0005035900000000 ] - [ -0.0003869100000000, 0.0000288300000000, 0.0000524700000000 ] - [ -0.0006529500000000, 0.0006687200000000, -0.0000978300000000 ] - [ 0.0000198400000000, -0.0000114000000000, -0.0002429000000000 ] - [ -0.0004987800000000, 0.0002105100000000, 0.0007161300000000 ] - [ -0.0004379800000000, -0.0005238200000000, 0.0002013200000000 ] - [ -0.0005908900000000, -0.0000902900000000, -0.0003115500000000 ] - [ -0.0000047900000000, -0.0001612600000000, -0.0002733300000000 ] - [ -0.0000783300000000, -0.0004537700000000, -0.0000266700000000 ] - [ -0.0005299200000000, -0.0002019700000000, 0.0007077500000000 ] - [ -0.0004244300000000, 0.0005159000000000, 0.0002027900000000 ] - [ -0.0001156300000000, 0.0000335500000000, -0.0000830100000000 ] - [ -0.0001155800000000, 0.0001526300000000, -0.0001370400000000 ] - [ -0.0001912100000000, -0.0002187200000000, -0.0004059800000000 ] - [ -0.0002030700000000, 0.0006092200000000, 0.0003950800000000 ] - [ -0.0003360400000000, 0.0001197400000000, -0.0000170600000000 ] - [ -0.0002330200000000, -0.0001126400000000, -0.0001254900000000 ] - [ -0.0007125200000000, -0.0001385800000000, -0.0002448300000000 ] - [ -0.0004147700000000, 0.0000637000000000, 0.0005875600000000 ]- atom: 53 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0001496500000000, 0.0001804200000000, -0.0002901900000000 ] - [ -0.0004646400000000, -0.0002752600000000, 0.0000869600000000 ] - [ -0.0005395200000000, -0.0001042400000000, -0.0002764900000000 ] - [ -0.0005618700000000, 0.0002704700000000, 0.0001860000000000 ] - [ -0.0002488900000000, 0.0001213600000000, -0.0002929500000000 ] - [ -0.0006093900000000, -0.0002732000000000, 0.0001239100000000 ] - [ -0.0002102100000000, -0.0001215300000000, -0.0003138600000000 ] - [ -0.0003953100000000, 0.0002665500000000, 0.0001644000000000 ] - [ -0.0008858700000000, 0.0006145800000000, 0.0015656600000000 ] - [ -0.0010231300000000, 0.0005516700000000, -0.0029314700000000 ] - [ -0.0008557200000000, 0.0002922700000000, 0.0000566100000000 ] - [ -0.0007771700000000, -0.0002937300000000, 0.0001343100000000 ] - [ -0.0005404400000000, 0.0001022800000000, -0.0003609500000000 ] - [ -0.0006265200000000, -0.0001001000000000, -0.0003774500000000 ] - [ -0.0023617800000000, 0.0004657700000000, -0.0005929400000000 ] - [ 0.0003983500000000, 0.0001166800000000, 0.0013206400000000 ] - [ -0.0006367400000000, -0.0000877800000000, -0.0000940100000000 ] - [ 0.0001429900000000, -0.0007730800000000, 0.0003275400000000 ] - [ 0.0000914800000000, 0.0007579100000000, 0.0003693500000000 ] - [ -0.0000869500000000, 0.0004457200000000, 0.0057650600000000 ] - [ -0.0007315800000000, -0.0002041900000000, -0.0006085300000000 ] - [ 0.0104225100000000, -0.0005560800000000, -0.0034289900000000 ] - [ 0.0018734500000000, 0.0000776800000000, 0.0021242600000000 ] - [ -0.0070729800000000, 0.0038785600000000, -0.0137165400000000 ] - [ -0.0001876400000000, 0.0000189900000000, 0.0003850800000000 ] - [ 0.0788906500000000, -0.0625872900000000, -0.0937046900000000 ] - [ -0.0049229800000000, -0.0052983200000000, 0.0081739100000000 ] - [ 0.0044991200000000, -0.0023617600000000, 0.0026350700000000 ] - [ -0.0026486700000000, -0.0000246900000000, -0.0021226000000000 ] - [ 0.0036535300000000, -0.0004889100000000, 0.0051013700000000 ] - [ -0.0004215000000000, 0.0000840100000000, -0.0000725500000000 ] - [ -0.0023690300000000, 0.0027237000000000, 0.0081629700000000 ] - [ -0.0004276200000000, -0.0001462700000000, -0.0006297600000000 ] - [ -0.0008158700000000, -0.0006877300000000, 0.0013722400000000 ] - [ 0.0022827900000000, 0.0019292000000000, -0.0001719300000000 ] - [ -0.0008555000000000, 0.0004398500000000, 0.0008248600000000 ] - [ -0.0005792100000000, -0.0001484500000000, -0.0003079800000000 ] - [ -0.0005325000000000, 0.0001647400000000, -0.0002314000000000 ] - [ -0.0003483000000000, -0.0002204100000000, -0.0001599300000000 ] - [ -0.0008828500000000, -0.0004239900000000, 0.0008101200000000 ] - [ -0.0003389800000000, 0.0001120000000000, 0.0000553300000000 ] - [ -0.0002521200000000, -0.0002373700000000, 0.0002794900000000 ] - [ -0.0005565100000000, 0.0003623500000000, 0.0000911200000000 ] - [ -0.0005562200000000, -0.0003652200000000, 0.0001035100000000 ] - [ -0.0003619400000000, 0.0002503900000000, -0.0002362700000000 ] - [ -0.0002384800000000, 0.0002355400000000, 0.0002893900000000 ] - [ -0.0007093100000000, 0.0000486500000000, 0.0002878200000000 ] - [ -0.0005107700000000, -0.0001581600000000, -0.0002404400000000 ] - [ -0.0003985400000000, 0.0001620400000000, -0.0003611900000000 ] - [ 0.0001375300000000, -0.0002444000000000, -0.0004392300000000 ] - [ 0.0002804100000000, 0.0000942700000000, 0.0008330700000000 ] - [ -0.0004317600000000, 0.0034355800000000, -0.0036736700000000 ] - [ -0.0809863000000000, 0.0571843800000000, 0.1068396100000000 ] - [ -0.0001759200000000, 0.0000782200000000, -0.0003469300000000 ] - [ -0.0025494300000000, 0.0062897900000000, -0.0026844400000000 ] - [ 0.0103744200000000, -0.0060487100000000, -0.0148419100000000 ] - [ 0.0004572000000000, -0.0000300100000000, 0.0001244100000000 ] - [ -0.0027214500000000, 0.0013695300000000, -0.0009268000000000 ] - [ 0.0002268000000000, 0.0001397900000000, -0.0005005200000000 ] - [ 0.0011469500000000, 0.0013627500000000, 0.0014744700000000 ] - [ 0.0005296000000000, -0.0005852300000000, 0.0004378300000000 ] - [ 0.0005299000000000, 0.0006103100000000, 0.0003864100000000 ] - [ 0.0006688700000000, -0.0000598800000000, -0.0003729100000000 ] - [ 0.0001943100000000, -0.0001365000000000, -0.0004484300000000 ] - [ -0.0019185700000000, -0.0011580100000000, -0.0008898700000000 ] - [ -0.0006623300000000, -0.0004277900000000, -0.0010079300000000 ] - [ 0.0004320300000000, -0.0002734800000000, -0.0013749100000000 ] - [ 0.0006526000000000, -0.0000063400000000, 0.0002012200000000 ] - [ -0.0002189200000000, -0.0001903700000000, -0.0003551100000000 ] - [ -0.0003811300000000, -0.0000967400000000, -0.0009258900000000 ] - [ 0.0001473100000000, -0.0002589700000000, -0.0006028800000000 ] - [ 0.0014098600000000, 0.0059065100000000, 0.0088941400000000 ] - [ 0.0017136300000000, -0.0007491000000000, -0.0033825200000000 ] - [ -0.0001947200000000, 0.0000478300000000, -0.0001737100000000 ] - [ 0.0004083800000000, 0.0000106700000000, 0.0001422200000000 ] - [ -0.0052817700000000, 0.0022373000000000, 0.0014596600000000 ] - [ -0.0024535000000000, 0.0010204300000000, 0.0007880100000000 ] - [ 0.0014259700000000, -0.0003154100000000, 0.0002428400000000 ] - [ -0.0018443500000000, -0.0007616300000000, -0.0003126100000000 ] - [ -0.0000100900000000, 0.0002591500000000, -0.0000509300000000 ] - [ 0.0014912500000000, 0.0005836100000000, -0.0016564500000000 ] - [ -0.0001144400000000, 0.0005021800000000, -0.0001552100000000 ] - [ -0.0020116100000000, -0.0021955200000000, 0.0030550800000000 ] - [ -0.0002040400000000, -0.0000393500000000, -0.0004603300000000 ] - [ 0.0005046600000000, 0.0000677600000000, -0.0003032600000000 ] - [ 0.0034953900000000, -0.0027025900000000, 0.0012824100000000 ] - [ 0.0024693000000000, -0.0013442800000000, 0.0028390300000000 ] - [ 0.0017616800000000, -0.0016242800000000, -0.0022969200000000 ] - [ 0.0005637200000000, 0.0000373800000000, -0.0000423200000000 ] - [ 0.0003718300000000, -0.0000543000000000, -0.0003401400000000 ] - [ -0.0019222600000000, 0.0012474800000000, -0.0028750500000000 ] - [ 0.0010810800000000, 0.0004478000000000, -0.0030630300000000 ] - [ -0.0002544500000000, 0.0003189700000000, -0.0009883900000000 ] - [ -0.0013064500000000, -0.0015726000000000, -0.0025492100000000 ] - [ -0.0001774200000000, 0.0000782800000000, -0.0000020700000000 ] - [ -0.0021748500000000, -0.0005381900000000, 0.0010467200000000 ] - [ -0.0002602400000000, 0.0001429000000000, -0.0004322300000000 ] - [ -0.0000225100000000, -0.0003270100000000, -0.0002423100000000 ] - [ 0.0000073800000000, -0.0001103500000000, 0.0000038400000000 ] - [ -0.0000629200000000, -0.0002085300000000, 0.0005632200000000 ] - [ 0.0004978700000000, 0.0000212200000000, 0.0000960800000000 ] - [ -0.0000212200000000, 0.0001457600000000, -0.0001283800000000 ] - [ 0.0003091100000000, -0.0004154500000000, -0.0001760500000000 ] - [ 0.0001031000000000, 0.0000077100000000, -0.0001826000000000 ] - [ 0.0001086200000000, -0.0003192600000000, 0.0010681000000000 ] - [ -0.0001411100000000, 0.0000856700000000, 0.0004481800000000 ] - [ -0.0004178100000000, 0.0000029100000000, -0.0004009100000000 ] - [ -0.0001362600000000, -0.0000868800000000, 0.0004607300000000 ] - [ 0.0007356800000000, -0.0006346700000000, 0.0001418900000000 ] - [ 0.0000856500000000, 0.0004815400000000, 0.0001799200000000 ] - [ 0.0002030500000000, 0.0000470400000000, -0.0002225500000000 ] - [ 0.0005763200000000, -0.0001511100000000, -0.0006771800000000 ] - [ 0.0004072100000000, -0.0000702000000000, 0.0000027200000000 ] - [ 0.0004884100000000, -0.0000272000000000, 0.0000953600000000 ] - [ 0.0003364700000000, 0.0003474800000000, -0.0001004200000000 ] - [ 0.0008544400000000, -0.0000253900000000, 0.0001823800000000 ] - [ -0.0003500900000000, -0.0002277500000000, -0.0002603800000000 ] - [ 0.0005059500000000, 0.0001652200000000, -0.0002607900000000 ] - [ -0.0000470800000000, -0.0001314800000000, -0.0003341600000000 ] - [ 0.0005406000000000, 0.0004477000000000, -0.0001784300000000 ] - [ 0.0004093300000000, 0.0000604700000000, 0.0000182400000000 ] - [ 0.0002316600000000, -0.0000474500000000, -0.0002685800000000 ] - [ 0.0006946500000000, -0.0000884400000000, -0.0005404700000000 ] - [ 0.0002778100000000, -0.0004034100000000, 0.0003265000000000 ] - [ 0.0006239600000000, -0.0001967700000000, -0.0001965500000000 ] - [ 0.0005798400000000, -0.0001619500000000, -0.0002030700000000 ] - [ 0.0003065000000000, 0.0004146900000000, -0.0001785100000000 ] - [ 0.0000836400000000, 0.0002688600000000, -0.0002228500000000 ] - [ 0.0006039100000000, 0.0001899700000000, -0.0001882900000000 ] - [ 0.0001314900000000, 0.0004875800000000, 0.0008093100000000 ] - [ 0.0000407800000000, -0.0003938100000000, 0.0000753800000000 ] - [ -0.0002501900000000, 0.0000358200000000, -0.0006638100000000 ] - [ 0.0003893200000000, 0.0000732500000000, -0.0002499700000000 ] - [ 0.0003396400000000, -0.0003488100000000, -0.0000856900000000 ] - [ 0.0001631400000000, -0.0004962900000000, 0.0008172800000000 ] - [ 0.0000271400000000, 0.0004016300000000, 0.0000735700000000 ] - [ 0.0003289500000000, 0.0000146900000000, -0.0000411800000000 ] - [ 0.0005027700000000, -0.0000656800000000, -0.0003877300000000 ] - [ 0.0005221700000000, -0.0004456300000000, -0.0001863300000000 ] - [ 0.0002678900000000, 0.0004068200000000, 0.0003279900000000 ] - [ 0.0000057400000000, 0.0001145600000000, -0.0000248100000000 ] - [ 0.0001024700000000, -0.0000094500000000, -0.0001892500000000 ] - [ 0.0000360900000000, 0.0001683100000000, -0.0003036600000000 ] - [ -0.0000595100000000, 0.0002092200000000, 0.0005591000000000 ]- atom: 54 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0001947600000000, 0.0001151900000000, 0.0008951400000000 ] - [ 0.0027577700000000, 0.0005567700000000, 0.0010140800000000 ] - [ -0.0006238600000000, -0.0001524200000000, -0.0010951100000000 ] - [ 0.0011539600000000, 0.0004884700000000, -0.0010831200000000 ] - [ -0.0004355000000000, 0.0001237700000000, -0.0003141800000000 ] - [ -0.0006811400000000, -0.0002841400000000, 0.0001069800000000 ] - [ -0.0004409800000000, -0.0001261100000000, -0.0002991500000000 ] - [ -0.0006803900000000, 0.0002834100000000, 0.0001118600000000 ] - [ 0.0004860300000000, 0.0000781700000000, -0.0008912000000000 ] - [ -0.0039477200000000, -0.0002585300000000, -0.0002248800000000 ] - [ 0.0107308300000000, -0.0006485200000000, -0.0041338600000000 ] - [ 0.0027367100000000, -0.0005411500000000, 0.0009553000000000 ] - [ -0.0012017300000000, 0.0000750000000000, -0.0003366800000000 ] - [ -0.0013262200000000, -0.0000250500000000, -0.0004465600000000 ] - [ -0.0015388200000000, 0.0003298000000000, 0.0000964300000000 ] - [ -0.0015084400000000, -0.0003276100000000, 0.0000846500000000 ] - [ 0.0373782800000000, 0.0010244100000000, -0.0055743800000000 ] - [ 0.0007538800000000, -0.0004231800000000, -0.0019792100000000 ] - [ 0.0022337500000000, 0.0016828900000000, 0.0045669100000000 ] - [ -0.0013901900000000, 0.0003153500000000, 0.0008202100000000 ] - [ 0.0013610700000000, 0.0077499700000000, 0.0020949500000000 ] - [ -0.0015125000000000, 0.0004129500000000, 0.0002322000000000 ] - [ 0.0001696400000000, 0.0001059500000000, 0.0011522800000000 ] - [ -0.0014960600000000, -0.0002684400000000, 0.0007838500000000 ] - [ 0.0039522700000000, -0.0007430000000000, -0.0010424000000000 ] - [ -0.0010571600000000, -0.0002930500000000, 0.0002026100000000 ] - [ -0.0011666400000000, 0.0003960500000000, 0.0003335100000000 ] - [ -0.0011048200000000, -0.0003605700000000, 0.0001028000000000 ] - [ -0.0016558400000000, 0.0008057700000000, -0.0015613900000000 ] - [ -0.0005794900000000, 0.0002156300000000, 0.0005542400000000 ] - [ 0.0037637000000000, -0.0000214200000000, 0.0003574600000000 ] - [ -0.0007179600000000, -0.0001522700000000, -0.0006981100000000 ] - [ -0.0010486200000000, -0.0001190000000000, -0.0001179900000000 ] - [ -0.0003819900000000, -0.0007254700000000, 0.0002992500000000 ] - [ -0.0003965000000000, 0.0007210800000000, 0.0002695600000000 ] - [ 0.0001405300000000, 0.0007686000000000, 0.0007633200000000 ] - [ -0.0013303300000000, -0.0002507400000000, -0.0000942600000000 ] - [ -0.0010862600000000, 0.0002001500000000, -0.0005251300000000 ] - [ -0.0008474400000000, -0.0004003100000000, -0.0003314100000000 ] - [ -0.0044453100000000, 0.0031932100000000, 0.0009969300000000 ] - [ -0.0012873200000000, 0.0002424200000000, -0.0000881600000000 ] - [ -0.0012900300000000, -0.0001804400000000, 0.0008329700000000 ] - [ -0.0012337700000000, 0.0001830900000000, -0.0011675500000000 ] - [ -0.0004322000000000, -0.0005117200000000, 0.0016727100000000 ] - [ -0.0009433100000000, 0.0003779200000000, -0.0002574200000000 ] - [ -0.0004002500000000, 0.0003276600000000, 0.0001202000000000 ] - [ -0.0010338700000000, 0.0001158300000000, -0.0001200200000000 ] - [ -0.0010151900000000, -0.0002443500000000, 0.0000591800000000 ] - [ -0.0020238700000000, -0.0002200800000000, -0.0009400300000000 ] - [ -0.0011220600000000, -0.0010313300000000, 0.0005239800000000 ] - [ 0.0004657900000000, 0.0001019300000000, 0.0004243600000000 ] - [ 0.0000956500000000, -0.0002460000000000, 0.0004881600000000 ] - [ 0.0009231600000000, -0.0001985100000000, -0.0000266700000000 ] - [ -0.0476107900000000, -0.0134597000000000, -0.0183860200000000 ] - [ 0.0007255900000000, -0.0006606100000000, -0.0003446100000000 ] - [ 0.0002760000000000, -0.0000762200000000, -0.0000627900000000 ] - [ 0.0005301700000000, 0.0025804200000000, -0.0033624100000000 ] - [ 0.0002344300000000, -0.0000183600000000, 0.0005674300000000 ] - [ -0.0019847100000000, -0.0007651200000000, -0.0012168800000000 ] - [ 0.0002543200000000, 0.0000105800000000, 0.0005423800000000 ] - [ -0.0009822800000000, 0.0004631700000000, 0.0026823200000000 ] - [ 0.0003998800000000, 0.0005417200000000, -0.0012717800000000 ] - [ 0.0001587500000000, 0.0001211500000000, 0.0007532600000000 ] - [ -0.0006479900000000, -0.0002325900000000, 0.0043066400000000 ] - [ 0.0004926000000000, -0.0002664400000000, -0.0004544400000000 ] - [ 0.0007542300000000, 0.0001330200000000, -0.0000020400000000 ] - [ 0.0005297700000000, 0.0002949000000000, -0.0001289300000000 ] - [ -0.0069736500000000, -0.0012400400000000, -0.0027975600000000 ] - [ -0.0054196300000000, 0.0026306700000000, 0.0164840200000000 ] - [ -0.0006257000000000, 0.0000421000000000, -0.0008449400000000 ] - [ -0.0009951800000000, 0.0007158400000000, 0.0011175400000000 ] - [ 0.0012426500000000, 0.0005717500000000, 0.0000062700000000 ] - [ 0.0007707000000000, -0.0003035000000000, 0.0004224300000000 ] - [ 0.0006171700000000, -0.0000242200000000, -0.0015819500000000 ] - [ -0.0008194000000000, -0.0003515200000000, 0.0014602200000000 ] - [ 0.0005151600000000, -0.0003018100000000, 0.0003153200000000 ] - [ 0.0013781300000000, -0.0004469500000000, -0.0005050300000000 ] - [ 0.0020440100000000, -0.0002461200000000, 0.0007186800000000 ] - [ 0.0005786700000000, 0.0005577000000000, -0.0002346700000000 ] - [ 0.0008976800000000, -0.0006852300000000, -0.0020580100000000 ] - [ 0.0006287200000000, 0.0001902800000000, 0.0001048500000000 ] - [ 0.0004562700000000, 0.0006256700000000, 0.0008604600000000 ] - [ 0.0005911900000000, -0.0001418100000000, -0.0001191100000000 ] - [ -0.0017274300000000, 0.0001893900000000, -0.0010121500000000 ] - [ -0.0060977200000000, 0.0020396500000000, 0.0143203500000000 ] - [ 0.0005519000000000, -0.0002963500000000, -0.0001332500000000 ] - [ 0.0004886200000000, -0.0006394500000000, 0.0008681100000000 ] - [ -0.0000606100000000, 0.0005357600000000, 0.0001689500000000 ] - [ -0.0026524200000000, 0.0000050900000000, -0.0004651500000000 ] - [ -0.0012302100000000, 0.0005610900000000, -0.0003242400000000 ] - [ 0.0005249100000000, -0.0005348700000000, -0.0001344700000000 ] - [ 0.0005021100000000, 0.0003047300000000, 0.0002735000000000 ] - [ -0.0003233100000000, 0.0003002100000000, -0.0003306000000000 ] - [ 0.0002603300000000, 0.0000066000000000, -0.0003686300000000 ] - [ 0.0044355900000000, -0.0030800600000000, -0.0025733900000000 ] - [ 0.0001240100000000, 0.0003086800000000, 0.0006033100000000 ] - [ -0.0000967900000000, 0.0002153900000000, -0.0003632600000000 ] - [ 0.0003336800000000, -0.0001318400000000, -0.0003054100000000 ] - [ 0.0001827600000000, -0.0001172700000000, -0.0000036900000000 ] - [ -0.0001126100000000, -0.0003681200000000, 0.0011810700000000 ] - [ 0.0016313700000000, -0.0008259500000000, -0.0001710000000000 ] - [ 0.0000432000000000, 0.0000887700000000, -0.0003205700000000 ] - [ 0.0005993600000000, -0.0004712100000000, 0.0000209500000000 ] - [ 0.0002987400000000, 0.0000608600000000, -0.0004657000000000 ] - [ 0.0006262500000000, -0.0000663500000000, 0.0000999900000000 ] - [ -0.0009829900000000, 0.0002780400000000, -0.0001477300000000 ] - [ 0.0004655800000000, 0.0002203200000000, -0.0004612700000000 ] - [ 0.0008184400000000, -0.0001042500000000, 0.0014646200000000 ] - [ 0.0007237800000000, -0.0005445600000000, 0.0004141000000000 ] - [ 0.0007241600000000, 0.0005412400000000, 0.0004220400000000 ] - [ 0.0004094400000000, 0.0000430000000000, -0.0003044100000000 ] - [ 0.0004634500000000, -0.0002153700000000, -0.0004669400000000 ] - [ 0.0006179000000000, 0.0000579900000000, 0.0001629800000000 ] - [ 0.0003575400000000, -0.0001717300000000, 0.0000386700000000 ] - [ -0.0000551900000000, 0.0004660600000000, -0.0002682800000000 ] - [ 0.0010938700000000, -0.0000136300000000, 0.0002256700000000 ] - [ -0.0000920300000000, -0.0002165000000000, -0.0003682500000000 ] - [ 0.0009164800000000, 0.0001896400000000, -0.0001088900000000 ] - [ 0.0003100500000000, -0.0002837900000000, -0.0003637700000000 ] - [ 0.0010983900000000, 0.0006329000000000, -0.0000073000000000 ] - [ 0.0006780700000000, -0.0000340900000000, -0.0001775000000000 ] - [ 0.0003838500000000, -0.0000579400000000, -0.0002421400000000 ] - [ 0.0006217600000000, 0.0000631100000000, 0.0000949200000000 ] - [ 0.0002339800000000, -0.0014119100000000, -0.0012842000000000 ] - [ 0.0009090200000000, -0.0002842900000000, -0.0001222700000000 ] - [ 0.0009654600000000, -0.0001724100000000, -0.0001166200000000 ] - [ 0.0005000300000000, 0.0006215000000000, -0.0005359300000000 ] - [ 0.0003467600000000, 0.0001242200000000, -0.0003000700000000 ] - [ 0.0008899600000000, 0.0003005800000000, -0.0002207100000000 ] - [ -0.0008863100000000, 0.0001589200000000, 0.0008501900000000 ] - [ 0.0002528600000000, -0.0003744300000000, 0.0000766000000000 ] - [ 0.0000348600000000, -0.0000883800000000, -0.0003213500000000 ] - [ 0.0006853900000000, 0.0001657300000000, -0.0003797000000000 ] - [ 0.0012014000000000, -0.0003141600000000, 0.0002972200000000 ] - [ 0.0104137000000000, -0.0008094900000000, -0.0024337400000000 ] - [ 0.0002599000000000, 0.0003032500000000, -0.0000472800000000 ] - [ 0.0010761900000000, 0.0000147900000000, 0.0002164200000000 ] - [ 0.0006771700000000, -0.0001611400000000, -0.0003748500000000 ] - [ 0.0007194600000000, -0.0004961900000000, -0.0001297500000000 ] - [ -0.0001039100000000, 0.0005022500000000, 0.0006464900000000 ] - [ 0.0001635200000000, 0.0001058400000000, 0.0000006500000000 ] - [ 0.0001907700000000, 0.0000850500000000, -0.0000394700000000 ] - [ 0.0003239500000000, 0.0002900100000000, -0.0003579400000000 ] - [ 0.0003608200000000, 0.0000083000000000, -0.0004328100000000 ]- atom: 54 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0002247000000000, 0.0001208600000000, -0.0014868100000000 ] - [ -0.0034423300000000, -0.0010573800000000, -0.0007299900000000 ] - [ 0.0006171600000000, -0.0000819400000000, 0.0005035600000000 ] - [ -0.0018436400000000, 0.0000242300000000, 0.0014376200000000 ] - [ 0.0004071400000000, 0.0001127700000000, -0.0002831900000000 ] - [ -0.0000029700000000, -0.0002347000000000, 0.0002253800000000 ] - [ 0.0004126500000000, -0.0001112000000000, -0.0002985300000000 ] - [ -0.0000037800000000, 0.0002346600000000, 0.0002204000000000 ] - [ -0.0002539100000000, 0.0002253900000000, 0.0002005500000000 ] - [ 0.0041492400000000, -0.0000422500000000, -0.0004875600000000 ] - [ -0.0111870300000000, 0.0008539000000000, 0.0041717300000000 ] - [ -0.0029419300000000, 0.0000297300000000, -0.0007223300000000 ] - [ 0.0014242300000000, 0.0002288500000000, -0.0003622900000000 ] - [ 0.0015503200000000, -0.0002795300000000, -0.0002517100000000 ] - [ 0.0013581800000000, 0.0001790800000000, 0.0001027600000000 ] - [ 0.0013280500000000, -0.0001818500000000, 0.0001147700000000 ] - [ -0.0375063800000000, -0.0014418700000000, 0.0045092100000000 ] - [ 0.0004999000000000, -0.0011882400000000, 0.0028253500000000 ] - [ -0.0010357000000000, -0.0000551600000000, -0.0038021300000000 ] - [ 0.0008227100000000, 0.0008367800000000, 0.0008449300000000 ] - [ -0.0004815200000000, -0.0077565100000000, -0.0024628800000000 ] - [ 0.0016209100000000, -0.0002413500000000, -0.0006988500000000 ] - [ 0.0002336000000000, -0.0002642300000000, -0.0013437700000000 ] - [ 0.0009282500000000, -0.0008838800000000, 0.0008799800000000 ] - [ -0.0031208500000000, 0.0007968800000000, 0.0007390500000000 ] - [ 0.0017536500000000, -0.0001420600000000, 0.0001724400000000 ] - [ 0.0012387900000000, 0.0002927000000000, -0.0003771200000000 ] - [ 0.0011782900000000, -0.0003277800000000, -0.0001473700000000 ] - [ 0.0020656100000000, -0.0006430700000000, 0.0013471200000000 ] - [ 0.0012770500000000, 0.0002185900000000, -0.0001745100000000 ] - [ -0.0037977600000000, 0.0001223800000000, -0.0004371500000000 ] - [ 0.0008348900000000, -0.0000153900000000, 0.0002330200000000 ] - [ 0.0010296800000000, 0.0000182900000000, 0.0000229500000000 ] - [ 0.0016454700000000, -0.0008921200000000, 0.0005296600000000 ] - [ 0.0016599100000000, 0.0008961500000000, 0.0005590600000000 ] - [ -0.0007222900000000, 0.0003852800000000, 0.0009132700000000 ] - [ 0.0021659300000000, 0.0002011100000000, -0.0002371700000000 ] - [ 0.0011998800000000, -0.0000308900000000, 0.0000616900000000 ] - [ 0.0012495800000000, 0.0002409600000000, 0.0001306800000000 ] - [ 0.0038867500000000, -0.0043978900000000, 0.0006607600000000 ] - [ 0.0021224000000000, -0.0001928700000000, -0.0002430900000000 ] - [ 0.0019906500000000, -0.0002541500000000, -0.0004625000000000 ] - [ 0.0013102900000000, 0.0005076100000000, 0.0011365400000000 ] - [ 0.0004905700000000, -0.0001763700000000, -0.0017304400000000 ] - [ 0.0013465300000000, -0.0002186200000000, 0.0000555100000000 ] - [ 0.0010934200000000, 0.0001058600000000, 0.0002610600000000 ] - [ 0.0010147200000000, -0.0000152500000000, 0.0000249700000000 ] - [ 0.0011261600000000, 0.0000746300000000, -0.0005284400000000 ] - [ 0.0009820200000000, 0.0004894200000000, 0.0002417300000000 ] - [ 0.0005480300000000, 0.0000921800000000, -0.0008524300000000 ] - [ -0.0008011600000000, -0.0003365700000000, -0.0004582900000000 ] - [ -0.0005714100000000, -0.0000252600000000, 0.0006566800000000 ] - [ -0.0006455500000000, 0.0006390700000000, 0.0004400600000000 ] - [ 0.0472020300000000, 0.0142074800000000, 0.0183603600000000 ] - [ -0.0008089300000000, 0.0002184200000000, 0.0002211600000000 ] - [ -0.0004081800000000, 0.0001973000000000, -0.0002492200000000 ] - [ -0.0000330200000000, -0.0025589300000000, 0.0037415500000000 ] - [ -0.0012942900000000, 0.0003930400000000, 0.0001366700000000 ] - [ 0.0019347400000000, 0.0009126300000000, 0.0002269000000000 ] - [ -0.0013138900000000, -0.0003850300000000, 0.0001620200000000 ] - [ 0.0016546900000000, -0.0017853000000000, -0.0018981400000000 ] - [ 0.0003162200000000, 0.0007217900000000, 0.0020632500000000 ] - [ -0.0001049500000000, -0.0000351700000000, -0.0011815500000000 ] - [ 0.0005636100000000, 0.0001198100000000, -0.0053062900000000 ] - [ -0.0001593200000000, -0.0000949000000000, 0.0004617200000000 ] - [ -0.0004765800000000, -0.0005734100000000, 0.0004144700000000 ] - [ -0.0002702100000000, 0.0005078400000000, 0.0000151300000000 ] - [ 0.0071916300000000, 0.0011870300000000, 0.0027018500000000 ] - [ 0.0043516200000000, -0.0029691200000000, -0.0169924100000000 ] - [ 0.0008984500000000, 0.0002413400000000, 0.0001302800000000 ] - [ 0.0003129500000000, -0.0007489100000000, -0.0016871900000000 ] - [ -0.0009125400000000, 0.0000907700000000, -0.0005980800000000 ] - [ -0.0004392900000000, 0.0006642100000000, -0.0004123100000000 ] - [ -0.0005489800000000, -0.0000623900000000, 0.0011417900000000 ] - [ 0.0013059400000000, 0.0003033900000000, -0.0011394900000000 ] - [ -0.0004516100000000, -0.0007142000000000, 0.0004097500000000 ] - [ -0.0007513200000000, 0.0002677800000000, 0.0000720100000000 ] - [ -0.0017585700000000, -0.0000334800000000, -0.0014136100000000 ] - [ -0.0006641200000000, -0.0001176000000000, 0.0001114000000000 ] - [ -0.0014428900000000, 0.0015959600000000, 0.0017139000000000 ] - [ -0.0000117300000000, -0.0000145100000000, -0.0005378300000000 ] - [ -0.0008251200000000, 0.0000719000000000, 0.0006654500000000 ] - [ -0.0009881400000000, -0.0007760800000000, 0.0004001200000000 ] - [ 0.0008884200000000, -0.0002410200000000, 0.0000258400000000 ] - [ 0.0064408000000000, -0.0020528900000000, -0.0147278100000000 ] - [ -0.0002922700000000, -0.0005066100000000, 0.0000196700000000 ] - [ -0.0008572700000000, -0.0000586400000000, 0.0006576700000000 ] - [ -0.0003390300000000, 0.0003829600000000, 0.0001073400000000 ] - [ 0.0028679700000000, 0.0000450800000000, 0.0003281900000000 ] - [ 0.0016210500000000, -0.0004770600000000, -0.0002063600000000 ] - [ -0.0001982100000000, -0.0001279800000000, -0.0004605800000000 ] - [ -0.0004386500000000, 0.0007112000000000, 0.0004506800000000 ] - [ -0.0000093900000000, -0.0000634400000000, 0.0002842800000000 ] - [ -0.0003917700000000, -0.0001283600000000, 0.0000542400000000 ] - [ -0.0050386400000000, 0.0030673100000000, 0.0019806300000000 ] - [ -0.0006000300000000, -0.0000376000000000, 0.0005419700000000 ] - [ -0.0009483800000000, 0.0000545400000000, -0.0003299300000000 ] - [ -0.0009054500000000, -0.0008067100000000, -0.0000157500000000 ] - [ -0.0005140600000000, -0.0001173800000000, -0.0000379200000000 ] - [ -0.0003619100000000, 0.0000980100000000, -0.0000435800000000 ] - [ -0.0013629900000000, 0.0012741400000000, 0.0005866800000000 ] - [ -0.0008867100000000, -0.0000345400000000, -0.0006550800000000 ] - [ -0.0006845400000000, 0.0000291300000000, -0.0001465900000000 ] - [ -0.0004301500000000, 0.0000585200000000, 0.0001560300000000 ] - [ -0.0001484500000000, 0.0001145700000000, 0.0002398000000000 ] - [ -0.0000600100000000, 0.0000921200000000, 0.0008555000000000 ] - [ -0.0005612200000000, -0.0001051500000000, -0.0005132600000000 ] - [ -0.0018867200000000, -0.0002689800000000, -0.0007670300000000 ] - [ -0.0000594900000000, -0.0007601900000000, 0.0003967800000000 ] - [ -0.0000597500000000, 0.0007634500000000, 0.0003884900000000 ] - [ -0.0003458900000000, 0.0000434800000000, -0.0001275400000000 ] - [ -0.0005587900000000, 0.0000998900000000, -0.0005074000000000 ] - [ -0.0002850100000000, -0.0004187300000000, -0.0001558400000000 ] - [ -0.0000751800000000, -0.0002658000000000, 0.0003729200000000 ] - [ 0.0003272900000000, 0.0003300300000000, 0.0001449600000000 ] - [ -0.0008836100000000, -0.0000341700000000, -0.0003497100000000 ] - [ -0.0009531900000000, -0.0000535600000000, -0.0003253800000000 ] - [ -0.0006383800000000, 0.0000958800000000, -0.0005991200000000 ] - [ -0.0009890800000000, 0.0002543400000000, -0.0001857300000000 ] - [ -0.0007725900000000, 0.0000290700000000, -0.0005868500000000 ] - [ -0.0003456100000000, 0.0003947300000000, 0.0001887200000000 ] - [ -0.0003202900000000, -0.0000282600000000, -0.0001899300000000 ] - [ -0.0001437400000000, -0.0001113200000000, 0.0002448500000000 ] - [ -0.0001591100000000, 0.0004162900000000, 0.0020338100000000 ] - [ -0.0002880800000000, 0.0001072100000000, -0.0003101800000000 ] - [ -0.0006881000000000, -0.0001135500000000, -0.0005910700000000 ] - [ -0.0005805800000000, -0.0001792600000000, 0.0004138600000000 ] - [ -0.0009186200000000, 0.0008141500000000, -0.0000210200000000 ] - [ -0.0002678700000000, -0.0001237700000000, -0.0002109100000000 ] - [ 0.0005246300000000, 0.0005406500000000, 0.0006706200000000 ] - [ -0.0006514300000000, -0.0005438800000000, 0.0002015400000000 ] - [ -0.0008784400000000, 0.0000342500000000, -0.0006543400000000 ] - [ -0.0003006800000000, -0.0002541500000000, -0.0001435500000000 ] - [ -0.0009404000000000, -0.0004837000000000, -0.0004139200000000 ] - [ -0.0110029500000000, 0.0001007300000000, 0.0040333000000000 ] - [ -0.0006583000000000, 0.0006154200000000, 0.0003261700000000 ] - [ -0.0008650200000000, 0.0000334000000000, -0.0003409600000000 ] - [ -0.0002925600000000, 0.0002493200000000, -0.0001489200000000 ] - [ -0.0003896400000000, -0.0001671500000000, -0.0004633900000000 ] - [ 0.0001693500000000, 0.0005154500000000, 0.0000678500000000 ] - [ -0.0004954000000000, 0.0001293600000000, -0.0000428100000000 ] - [ -0.0003221100000000, -0.0002072900000000, -0.0002759800000000 ] - [ -0.0010029900000000, -0.0002608200000000, -0.0001913000000000 ] - [ -0.0008386900000000, 0.0002666300000000, 0.0015897800000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001688100000000, 0.0001784200000000, -0.0005653400000000 ] - [ 0.0002377800000000, 0.0007530900000000, 0.0001570000000000 ] - [ -0.0013425400000000, 0.0003807000000000, -0.0009698300000000 ] - [ -0.0000085000000000, -0.0002043600000000, -0.0013986300000000 ] - [ -0.0000753800000000, 0.0001182800000000, -0.0003019900000000 ] - [ -0.0003884900000000, -0.0002624000000000, 0.0001586400000000 ] - [ -0.0000670800000000, -0.0001201600000000, -0.0002977700000000 ] - [ -0.0003874600000000, 0.0002622100000000, 0.0001587100000000 ] - [ -0.0004261800000000, 0.0000580100000000, -0.0008735800000000 ] - [ 0.0006115500000000, -0.0001424900000000, 0.0003928200000000 ] - [ -0.0003883900000000, 0.0017994700000000, -0.0010513400000000 ] - [ 0.0009969300000000, -0.0004771100000000, -0.0017974100000000 ] - [ -0.0000538700000000, 0.0001393700000000, -0.0003706100000000 ] - [ -0.0000892800000000, -0.0001385900000000, -0.0003381500000000 ] - [ -0.0002787700000000, 0.0002625000000000, 0.0001034900000000 ] - [ -0.0002882600000000, -0.0002662500000000, 0.0000943600000000 ] - [ 0.0054267600000000, 0.0415418200000000, 0.0522427400000000 ] - [ 0.0001153800000000, -0.0004533900000000, -0.0004718100000000 ] - [ 0.0024131700000000, 0.0027026900000000, 0.0056864700000000 ] - [ -0.0004421000000000, 0.0005378300000000, 0.0008081300000000 ] - [ 0.0083569400000000, -0.0094851000000000, 0.0045953700000000 ] - [ 0.0001056700000000, -0.0000229600000000, -0.0002128500000000 ] - [ 0.0000600900000000, -0.0001610100000000, -0.0006147000000000 ] - [ -0.0004346800000000, -0.0005399700000000, 0.0008516800000000 ] - [ 0.0002599400000000, 0.0003440700000000, -0.0017414100000000 ] - [ 0.0002067900000000, -0.0001929800000000, 0.0003615100000000 ] - [ -0.0000871000000000, 0.0003429400000000, -0.0000157100000000 ] - [ -0.0001620400000000, -0.0003611400000000, 0.0000369000000000 ] - [ -0.0003919500000000, -0.0005610300000000, 0.0008548700000000 ] - [ 0.0001724900000000, 0.0002349400000000, 0.0001033600000000 ] - [ 0.0005773500000000, 0.0001691400000000, -0.0014756500000000 ] - [ -0.0003411900000000, -0.0001813800000000, -0.0003072000000000 ] - [ -0.0001498100000000, -0.0000594300000000, -0.0000552800000000 ] - [ 0.0004971800000000, -0.0007957800000000, 0.0003933700000000 ] - [ 0.0004894900000000, 0.0007983400000000, 0.0003998200000000 ] - [ 0.0000279500000000, 0.0004410900000000, 0.0000587700000000 ] - [ 0.0001831900000000, -0.0000544000000000, -0.0001480100000000 ] - [ -0.0002197700000000, 0.0001660700000000, -0.0002532600000000 ] - [ 0.0000391400000000, -0.0001298300000000, -0.0001669500000000 ] - [ -0.0000584700000000, -0.0001555600000000, 0.0016659300000000 ] - [ 0.0001858500000000, 0.0000545100000000, -0.0001609300000000 ] - [ 0.0001730500000000, -0.0002097900000000, 0.0004233200000000 ] - [ -0.0008115400000000, 0.0000036600000000, -0.0004239100000000 ] - [ 0.0003629600000000, -0.0003745300000000, 0.0002361900000000 ] - [ 0.0000709900000000, 0.0001162200000000, -0.0000875200000000 ] - [ 0.0002413200000000, 0.0002733600000000, -0.0000045200000000 ] - [ -0.0001497200000000, 0.0000597500000000, -0.0000606700000000 ] - [ 0.0000126400000000, -0.0000642500000000, -0.0002219600000000 ] - [ -0.0006728300000000, 0.0001196600000000, 0.0000481000000000 ] - [ -0.0000850900000000, -0.0005031600000000, 0.0004617600000000 ] - [ 0.0003356300000000, -0.0000252000000000, -0.0004431900000000 ] - [ -0.0001962600000000, -0.0001603300000000, 0.0005857300000000 ] - [ 0.0002180100000000, 0.0001651700000000, 0.0001580100000000 ] - [ -0.0141740400000000, -0.0560281400000000, -0.0623886000000000 ] - [ 0.0000083000000000, -0.0002394400000000, -0.0000871600000000 ] - [ 0.0000042300000000, 0.0000662100000000, -0.0002343500000000 ] - [ 0.0030488800000000, 0.0047826900000000, -0.0053267800000000 ] - [ -0.0004098500000000, 0.0001572000000000, 0.0003825700000000 ] - [ -0.0031056600000000, -0.0024375700000000, 0.0007788200000000 ] - [ -0.0004395000000000, -0.0001653600000000, 0.0003763800000000 ] - [ -0.0000150200000000, 0.0009582400000000, 0.0018723900000000 ] - [ -0.0017705600000000, 0.0021094100000000, 0.0002054000000000 ] - [ 0.0008124500000000, 0.0001701500000000, -0.0003563400000000 ] - [ 0.0004850200000000, -0.0019000800000000, 0.0014550700000000 ] - [ 0.0001975900000000, -0.0001249700000000, 0.0000582100000000 ] - [ 0.0002342200000000, -0.0001730000000000, 0.0001970900000000 ] - [ 0.0001852400000000, 0.0003894100000000, -0.0000612800000000 ] - [ -0.0044513400000000, 0.0166585300000000, 0.0063805800000000 ] - [ 0.0017714500000000, -0.0083379200000000, -0.0095569000000000 ] - [ 0.0004598700000000, 0.0002120300000000, -0.0000194200000000 ] - [ -0.0002239700000000, -0.0000023100000000, 0.0001155000000000 ] - [ 0.0001303800000000, 0.0003437900000000, -0.0003742200000000 ] - [ 0.0003008800000000, 0.0001734800000000, -0.0000734000000000 ] - [ -0.0002169700000000, -0.0000103900000000, 0.0002120200000000 ] - [ -0.0000932400000000, -0.0000779200000000, 0.0014934700000000 ] - [ 0.0000982000000000, -0.0004809000000000, 0.0003388000000000 ] - [ 0.0001438900000000, -0.0000247800000000, -0.0001724200000000 ] - [ -0.0009467500000000, -0.0004307000000000, -0.0012689500000000 ] - [ 0.0001019300000000, 0.0003106900000000, -0.0000975000000000 ] - [ -0.0012224400000000, 0.0029750600000000, 0.0004766400000000 ] - [ 0.0006142400000000, 0.0001938500000000, -0.0001416200000000 ] - [ -0.0000955400000000, 0.0003868200000000, 0.0007787700000000 ] - [ -0.0001987600000000, -0.0004747500000000, -0.0000090200000000 ] - [ -0.0006355900000000, -0.0002251400000000, 0.0002440900000000 ] - [ 0.0039726200000000, 0.0067610400000000, 0.0081994900000000 ] - [ 0.0001854800000000, -0.0003834700000000, -0.0000703100000000 ] - [ -0.0000970200000000, -0.0003871200000000, 0.0007704100000000 ] - [ -0.0000931500000000, 0.0004364300000000, 0.0002544500000000 ] - [ 0.0000124900000000, -0.0002390900000000, 0.0011567600000000 ] - [ -0.0001108200000000, 0.0002276600000000, 0.0002726000000000 ] - [ 0.0003251300000000, -0.0003629500000000, -0.0001871800000000 ] - [ 0.0000926200000000, 0.0004805600000000, 0.0003647800000000 ] - [ -0.0000935400000000, 0.0000280000000000, 0.0002071600000000 ] - [ -0.0000394800000000, -0.0000338300000000, -0.0001054300000000 ] - [ -0.0013928800000000, -0.0001980300000000, -0.0009898700000000 ] - [ -0.0001850500000000, 0.0001494700000000, 0.0005519300000000 ] - [ -0.0004642300000000, 0.0001458600000000, -0.0003482800000000 ] - [ -0.0002039300000000, -0.0004241300000000, -0.0001776600000000 ] - [ -0.0001220400000000, -0.0001206600000000, -0.0000319900000000 ] - [ -0.0001418600000000, -0.0002142700000000, 0.0009299600000000 ] - [ 0.0003080800000000, 0.0000992000000000, 0.0000922300000000 ] - [ -0.0003606800000000, 0.0000341300000000, -0.0004666300000000 ] - [ 0.0002828600000000, -0.0003357100000000, -0.0001591800000000 ] - [ -0.0000510100000000, 0.0001049100000000, -0.0002608200000000 ] - [ 0.0002910100000000, 0.0000133700000000, 0.0001558200000000 ] - [ -0.0010277100000000, 0.0002196400000000, 0.0003250400000000 ] - [ 0.0000220200000000, 0.0000796900000000, -0.0004834300000000 ] - [ 0.0010610400000000, -0.0004476100000000, 0.0008807200000000 ] - [ 0.0003838500000000, -0.0006369300000000, 0.0004084200000000 ] - [ 0.0003848800000000, 0.0006376500000000, 0.0004077700000000 ] - [ 0.0000795500000000, 0.0000427800000000, -0.0002299600000000 ] - [ 0.0000188100000000, -0.0000804200000000, -0.0004816100000000 ] - [ 0.0002520300000000, -0.0001456900000000, 0.0000429200000000 ] - [ 0.0001069700000000, -0.0002432800000000, 0.0002699100000000 ] - [ -0.0003159500000000, 0.0006806500000000, 0.0004126700000000 ] - [ 0.0002364500000000, -0.0000218400000000, -0.0000239300000000 ] - [ -0.0004654300000000, -0.0001452200000000, -0.0003507800000000 ] - [ 0.0002519600000000, 0.0001520600000000, -0.0003123700000000 ] - [ -0.0002540600000000, -0.0000497900000000, -0.0002830300000000 ] - [ 0.0002551600000000, 0.0003485600000000, -0.0003015400000000 ] - [ 0.0002110300000000, 0.0001550400000000, -0.0000251900000000 ] - [ 0.0000833100000000, -0.0000462800000000, -0.0002141800000000 ] - [ 0.0002889200000000, -0.0000123800000000, 0.0001614400000000 ] - [ -0.0001144500000000, -0.0010508400000000, -0.0004439700000000 ] - [ 0.0004240900000000, -0.0001274300000000, -0.0002058300000000 ] - [ 0.0002412700000000, -0.0001432800000000, -0.0003310000000000 ] - [ -0.0001080500000000, 0.0001937300000000, -0.0000454300000000 ] - [ -0.0001982200000000, 0.0004216900000000, -0.0001818500000000 ] - [ 0.0003591700000000, 0.0001057400000000, -0.0002105200000000 ] - [ -0.0003051500000000, 0.0003707500000000, 0.0011691100000000 ] - [ -0.0001108700000000, -0.0004434700000000, 0.0001066600000000 ] - [ -0.0003610800000000, -0.0000352900000000, -0.0004632700000000 ] - [ 0.0002582300000000, -0.0000154200000000, -0.0002783600000000 ] - [ 0.0006266700000000, 0.0011762400000000, -0.0008594300000000 ] - [ 0.0002753400000000, -0.0019964000000000, -0.0005254500000000 ] - [ -0.0001610400000000, 0.0004462800000000, 0.0001350000000000 ] - [ 0.0002353800000000, 0.0000221000000000, -0.0000230500000000 ] - [ 0.0002577700000000, 0.0000163900000000, -0.0002760900000000 ] - [ 0.0002524700000000, -0.0003784200000000, -0.0002343100000000 ] - [ 0.0001923000000000, 0.0002140800000000, 0.0009489000000000 ] - [ -0.0001183200000000, 0.0001131600000000, -0.0000062600000000 ] - [ 0.0000013500000000, 0.0000115900000000, -0.0000558900000000 ] - [ -0.0002460000000000, 0.0000537300000000, -0.0002893400000000 ] - [ -0.0002361400000000, 0.0001021300000000, 0.0003045400000000 ]- atom: 54 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001999700000000, 0.0000562000000000, -0.0000310600000000 ] - [ -0.0009102300000000, -0.0012743600000000, 0.0001357200000000 ] - [ 0.0013269800000000, -0.0006088000000000, 0.0003748400000000 ] - [ -0.0006816000000000, 0.0007118600000000, 0.0017438700000000 ] - [ 0.0000464400000000, 0.0001182400000000, -0.0002953400000000 ] - [ -0.0002967800000000, -0.0002562800000000, 0.0001738700000000 ] - [ 0.0000381000000000, -0.0001173200000000, -0.0002996800000000 ] - [ -0.0002978600000000, 0.0002555200000000, 0.0001737100000000 ] - [ 0.0006544100000000, 0.0002438300000000, 0.0001766500000000 ] - [ -0.0003921100000000, -0.0001530500000000, -0.0010957300000000 ] - [ -0.0001045900000000, -0.0015732700000000, 0.0010859600000000 ] - [ -0.0011910100000000, -0.0000361500000000, 0.0020173400000000 ] - [ 0.0002760700000000, 0.0001640900000000, -0.0003293700000000 ] - [ 0.0003114100000000, -0.0001650000000000, -0.0003624900000000 ] - [ 0.0000951200000000, 0.0002462200000000, 0.0000969100000000 ] - [ 0.0001047200000000, -0.0002432900000000, 0.0001059800000000 ] - [ -0.0055125200000000, -0.0417497700000000, -0.0518012900000000 ] - [ 0.0011491400000000, -0.0011605800000000, 0.0013112700000000 ] - [ -0.0011665400000000, -0.0010806000000000, -0.0049285200000000 ] - [ -0.0001266000000000, 0.0006122700000000, 0.0008580100000000 ] - [ -0.0075857400000000, 0.0094209800000000, -0.0048952700000000 ] - [ 0.0000038200000000, 0.0001910800000000, -0.0002534700000000 ] - [ 0.0003430400000000, 0.0000021700000000, 0.0004176100000000 ] - [ -0.0001344500000000, -0.0006104400000000, 0.0008138600000000 ] - [ 0.0005636400000000, -0.0002854300000000, 0.0014313600000000 ] - [ 0.0004900600000000, -0.0002452400000000, 0.0000153200000000 ] - [ 0.0001574100000000, 0.0003484400000000, -0.0000286400000000 ] - [ 0.0002326600000000, -0.0003303100000000, -0.0000814600000000 ] - [ 0.0007940700000000, 0.0007247100000000, -0.0010640800000000 ] - [ 0.0005252200000000, 0.0002025900000000, 0.0002750700000000 ] - [ -0.0006093400000000, -0.0000710000000000, 0.0013949900000000 ] - [ 0.0004543800000000, 0.0000140100000000, -0.0001598800000000 ] - [ 0.0001273300000000, -0.0000413700000000, -0.0000414400000000 ] - [ 0.0007630500000000, -0.0008207100000000, 0.0004344000000000 ] - [ 0.0007704400000000, 0.0008175900000000, 0.0004277400000000 ] - [ -0.0005999900000000, 0.0007109100000000, 0.0016163800000000 ] - [ 0.0006474600000000, 0.0000043600000000, -0.0001820500000000 ] - [ 0.0003323700000000, 0.0000009400000000, -0.0002142600000000 ] - [ 0.0003633900000000, -0.0000300600000000, -0.0000337600000000 ] - [ -0.0005179000000000, -0.0009701800000000, -0.0000180500000000 ] - [ 0.0006448500000000, -0.0000048800000000, -0.0001687900000000 ] - [ 0.0005231000000000, -0.0002283500000000, -0.0000459200000000 ] - [ 0.0008924600000000, 0.0006914200000000, 0.0003826000000000 ] - [ -0.0002955200000000, -0.0003170200000000, -0.0002792900000000 ] - [ 0.0003311100000000, 0.0000432800000000, -0.0001137200000000 ] - [ 0.0004563900000000, 0.0001636700000000, 0.0003845000000000 ] - [ 0.0001271900000000, 0.0000406400000000, -0.0000361700000000 ] - [ 0.0000973900000000, -0.0001046900000000, -0.0002443800000000 ] - [ -0.0003678200000000, 0.0001501700000000, -0.0007453900000000 ] - [ -0.0004856900000000, -0.0004349000000000, -0.0007860300000000 ] - [ -0.0006673800000000, -0.0002119900000000, 0.0004020100000000 ] - [ -0.0002790500000000, -0.0001121800000000, 0.0005609000000000 ] - [ 0.0000589300000000, 0.0002758400000000, 0.0002562900000000 ] - [ 0.0135145100000000, 0.0567269400000000, 0.0610561800000000 ] - [ -0.0000899900000000, -0.0002039600000000, -0.0000374700000000 ] - [ -0.0001353500000000, 0.0000554100000000, -0.0000799400000000 ] - [ -0.0026373600000000, -0.0047885400000000, 0.0057734300000000 ] - [ -0.0006479100000000, 0.0002187600000000, 0.0003219800000000 ] - [ 0.0030334600000000, 0.0025672800000000, -0.0017438900000000 ] - [ -0.0006183800000000, -0.0002106200000000, 0.0003283200000000 ] - [ 0.0006800800000000, -0.0022787300000000, -0.0010798600000000 ] - [ 0.0024777600000000, -0.0008501800000000, 0.0005968300000000 ] - [ -0.0007511200000000, -0.0000823700000000, -0.0000697800000000 ] - [ -0.0005820800000000, 0.0018071600000000, -0.0024312600000000 ] - [ 0.0001360000000000, -0.0002346400000000, -0.0000486900000000 ] - [ 0.0000425200000000, -0.0002683700000000, 0.0002170400000000 ] - [ 0.0000759300000000, 0.0004121000000000, -0.0000513300000000 ] - [ 0.0047232500000000, -0.0168886500000000, -0.0067072400000000 ] - [ -0.0027430900000000, 0.0080501300000000, 0.0087812500000000 ] - [ -0.0001830500000000, 0.0000707600000000, -0.0006921900000000 ] - [ -0.0004565000000000, -0.0000335900000000, -0.0006850600000000 ] - [ 0.0001993200000000, 0.0003204400000000, -0.0002189200000000 ] - [ 0.0000324700000000, 0.0001851200000000, 0.0000851000000000 ] - [ 0.0002842500000000, -0.0000771600000000, -0.0006459200000000 ] - [ 0.0005751700000000, 0.0000295200000000, -0.0011713900000000 ] - [ -0.0000342700000000, -0.0005354500000000, 0.0003847200000000 ] - [ 0.0004782100000000, -0.0001528800000000, -0.0002579300000000 ] - [ 0.0012404300000000, 0.0001523400000000, 0.0005677400000000 ] - [ -0.0001843400000000, 0.0001315000000000, -0.0000270300000000 ] - [ 0.0006738100000000, -0.0020713300000000, -0.0008244500000000 ] - [ 0.0000050200000000, -0.0000175600000000, -0.0002885600000000 ] - [ -0.0002721200000000, 0.0003112400000000, 0.0007448300000000 ] - [ -0.0001990500000000, -0.0004437600000000, 0.0002860300000000 ] - [ -0.0002049400000000, 0.0001733800000000, -0.0012255700000000 ] - [ -0.0035122200000000, -0.0068030600000000, -0.0084595200000000 ] - [ 0.0000758400000000, -0.0004184000000000, -0.0000422500000000 ] - [ -0.0002704200000000, -0.0003115800000000, 0.0007530100000000 ] - [ -0.0003065300000000, 0.0004825700000000, 0.0000213500000000 ] - [ 0.0002047700000000, 0.0002854900000000, -0.0012844500000000 ] - [ 0.0005007800000000, -0.0001431400000000, -0.0008029300000000 ] - [ 0.0000024200000000, -0.0003017600000000, -0.0004066800000000 ] - [ -0.0000289200000000, 0.0005355200000000, 0.0003582500000000 ] - [ -0.0002379800000000, 0.0002083100000000, -0.0002524500000000 ] - [ -0.0000914700000000, -0.0000883200000000, -0.0002096200000000 ] - [ 0.0007000300000000, 0.0002488800000000, 0.0004563900000000 ] - [ -0.0002903000000000, 0.0001226100000000, 0.0005948100000000 ] - [ -0.0005800100000000, 0.0001235800000000, -0.0003454300000000 ] - [ -0.0003659000000000, -0.0005132800000000, -0.0001436500000000 ] - [ -0.0002084800000000, -0.0001148300000000, -0.0000110400000000 ] - [ -0.0003346000000000, -0.0000575100000000, 0.0002129800000000 ] - [ -0.0000289400000000, 0.0003393600000000, 0.0003224800000000 ] - [ -0.0004834500000000, 0.0000190600000000, -0.0005078200000000 ] - [ -0.0003684200000000, -0.0001061800000000, 0.0000367100000000 ] - [ -0.0000797200000000, 0.0000167300000000, -0.0000537800000000 ] - [ 0.0001865400000000, 0.0000355100000000, 0.0001814900000000 ] - [ -0.0000270500000000, 0.0001580200000000, 0.0003791900000000 ] - [ -0.0001176600000000, 0.0000372900000000, -0.0004885900000000 ] - [ -0.0021388200000000, 0.0000780000000000, -0.0001808400000000 ] - [ 0.0002805000000000, -0.0006669200000000, 0.0004039900000000 ] - [ 0.0002796100000000, 0.0006658600000000, 0.0004043800000000 ] - [ -0.0000145000000000, 0.0000438500000000, -0.0002000400000000 ] - [ -0.0001142300000000, -0.0000370000000000, -0.0004902800000000 ] - [ 0.0000812500000000, -0.0002136000000000, -0.0000328200000000 ] - [ 0.0001704500000000, -0.0001977300000000, 0.0001434600000000 ] - [ 0.0005835800000000, 0.0001157900000000, -0.0005314500000000 ] - [ -0.0000263100000000, -0.0000246600000000, -0.0000985300000000 ] - [ -0.0005787800000000, -0.0001245400000000, -0.0003434300000000 ] - [ 0.0000275100000000, 0.0001323100000000, -0.0003956400000000 ] - [ -0.0004223300000000, 0.0000190800000000, -0.0002664600000000 ] - [ 0.0000737000000000, 0.0003161100000000, -0.0002915000000000 ] - [ 0.0001227900000000, 0.0002041700000000, 0.0000352600000000 ] - [ -0.0000186300000000, -0.0000404600000000, -0.0002153300000000 ] - [ 0.0001887800000000, -0.0000367000000000, 0.0001758900000000 ] - [ 0.0001779000000000, 0.0000351100000000, 0.0011713100000000 ] - [ 0.0001969000000000, -0.0000495700000000, -0.0002240000000000 ] - [ 0.0000380400000000, -0.0001415700000000, -0.0003767200000000 ] - [ 0.0000275400000000, 0.0002497600000000, -0.0000806600000000 ] - [ -0.0003716000000000, 0.0005152700000000, -0.0001393700000000 ] - [ 0.0002628900000000, 0.0000710200000000, -0.0002196500000000 ] - [ -0.0000612300000000, 0.0003270900000000, 0.0003501100000000 ] - [ -0.0002882800000000, -0.0004756400000000, 0.0001702800000000 ] - [ -0.0004832000000000, -0.0000179700000000, -0.0005112200000000 ] - [ 0.0001270800000000, -0.0000722600000000, -0.0002451200000000 ] - [ -0.0003833500000000, -0.0020003200000000, 0.0007579600000000 ] - [ -0.0005828500000000, 0.0013009300000000, 0.0020473100000000 ] - [ -0.0002377300000000, 0.0004721700000000, 0.0001411000000000 ] - [ -0.0000245400000000, 0.0000246300000000, -0.0001000000000000 ] - [ 0.0001273700000000, 0.0000708700000000, -0.0002478400000000 ] - [ 0.0000755300000000, -0.0002859100000000, -0.0003594800000000 ] - [ -0.0001313100000000, 0.0008060600000000, -0.0002333800000000 ] - [ -0.0002130000000000, 0.0001225400000000, -0.0000373900000000 ] - [ -0.0001328800000000, -0.0001343900000000, -0.0002597500000000 ] - [ -0.0004303500000000, -0.0000234600000000, -0.0002597800000000 ] - [ -0.0002379400000000, 0.0001690700000000, 0.0008425600000000 ]- atom: 54 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0007057700000000, 0.0000354500000000, -0.0007921400000000 ] - [ 0.0009691200000000, -0.0005863400000000, -0.0004537800000000 ] - [ -0.0030405600000000, -0.0006204800000000, -0.0013053200000000 ] - [ 0.0004319900000000, 0.0009381600000000, -0.0032227000000000 ] - [ -0.0001755600000000, 0.0001186900000000, -0.0003051400000000 ] - [ -0.0004626600000000, -0.0002676900000000, 0.0001471300000000 ] - [ -0.0001510200000000, -0.0001227100000000, -0.0002985000000000 ] - [ -0.0004601700000000, 0.0002675100000000, 0.0001454000000000 ] - [ -0.0010672400000000, 0.0002064600000000, -0.0016271800000000 ] - [ 0.0017617800000000, 0.0004890200000000, 0.0013637800000000 ] - [ -0.0077289100000000, -0.0059175700000000, 0.0049413000000000 ] - [ 0.0022247600000000, 0.0000087900000000, -0.0056971900000000 ] - [ -0.0003407700000000, 0.0001115800000000, -0.0004245900000000 ] - [ -0.0003978400000000, -0.0001231000000000, -0.0003002900000000 ] - [ -0.0005824600000000, 0.0002752700000000, 0.0001122100000000 ] - [ -0.0006063100000000, -0.0002855200000000, 0.0000819200000000 ] - [ 0.0138743400000000, 0.0598975000000000, 0.2349919700000000 ] - [ -0.0034842400000000, 0.0027765600000000, -0.0051534500000000 ] - [ 0.0061954100000000, -0.0002604600000000, 0.0048633200000000 ] - [ -0.0006871000000000, 0.0004819300000000, 0.0007665200000000 ] - [ 0.0145588700000000, -0.0130731400000000, 0.0195762400000000 ] - [ 0.0001494700000000, -0.0001888200000000, -0.0001092400000000 ] - [ 0.0002450300000000, -0.0003377100000000, -0.0011766600000000 ] - [ -0.0006939800000000, -0.0004721900000000, 0.0008801500000000 ] - [ 0.0012611000000000, -0.0006027500000000, -0.0051252800000000 ] - [ -0.0000616900000000, -0.0001689800000000, 0.0005752100000000 ] - [ -0.0002848300000000, 0.0003403900000000, 0.0000102900000000 ] - [ -0.0004729900000000, -0.0003827800000000, 0.0001044800000000 ] - [ -0.0013919300000000, -0.0003772900000000, 0.0012687900000000 ] - [ -0.0000825100000000, 0.0002563000000000, -0.0000183000000000 ] - [ 0.0016828500000000, -0.0004238700000000, -0.0043464100000000 ] - [ -0.0008231300000000, -0.0003232300000000, -0.0004688500000000 ] - [ -0.0003727900000000, -0.0000737900000000, -0.0000691800000000 ] - [ 0.0002841500000000, -0.0007749600000000, 0.0003636100000000 ] - [ 0.0002608700000000, 0.0007809500000000, 0.0003726000000000 ] - [ -0.0000265500000000, 0.0000071900000000, -0.0016309300000000 ] - [ -0.0001880700000000, -0.0001009300000000, -0.0001193900000000 ] - [ -0.0006574100000000, 0.0002808000000000, -0.0001796500000000 ] - [ -0.0002425600000000, -0.0002040300000000, -0.0002651900000000 ] - [ -0.0017926100000000, -0.0009192800000000, 0.0046144700000000 ] - [ -0.0001914100000000, 0.0001048400000000, -0.0001580800000000 ] - [ 0.0000330900000000, -0.0001820900000000, 0.0007326900000000 ] - [ -0.0018694100000000, 0.0001054700000000, -0.0003652300000000 ] - [ 0.0009661600000000, -0.0002859400000000, 0.0001679000000000 ] - [ -0.0001224100000000, 0.0001755000000000, -0.0000738400000000 ] - [ -0.0001062800000000, 0.0003178300000000, -0.0002567100000000 ] - [ -0.0003732000000000, 0.0000736300000000, -0.0000785100000000 ] - [ -0.0000510500000000, -0.0000203300000000, -0.0002996000000000 ] - [ -0.0009973200000000, 0.0007377700000000, 0.0014203700000000 ] - [ -0.0000495400000000, -0.0004570400000000, 0.0010508300000000 ] - [ 0.0006974400000000, -0.0000900000000000, -0.0009548000000000 ] - [ -0.0001319300000000, -0.0001944000000000, 0.0005978400000000 ] - [ 0.0003861000000000, 0.0000616000000000, 0.0000740600000000 ] - [ -0.0189144300000000, -0.0637929400000000, -0.2585416800000000 ] - [ 0.0000861300000000, -0.0002640700000000, -0.0001345500000000 ] - [ 0.0001100800000000, 0.0000544900000000, -0.0003238100000000 ] - [ -0.0020315600000000, 0.0009257100000000, -0.0047202100000000 ] - [ -0.0002186000000000, 0.0001055100000000, 0.0004352600000000 ] - [ -0.0041159700000000, -0.0023118600000000, 0.0011386400000000 ] - [ -0.0002979700000000, -0.0001301400000000, 0.0004109400000000 ] - [ 0.0005855600000000, -0.0004424100000000, 0.0026867100000000 ] - [ -0.0051601200000000, 0.0045044300000000, 0.0031074800000000 ] - [ 0.0013695100000000, 0.0001168800000000, -0.0004432000000000 ] - [ 0.0058544800000000, -0.0011954800000000, 0.0108508200000000 ] - [ 0.0002251800000000, -0.0000498800000000, 0.0001174300000000 ] - [ 0.0003748300000000, -0.0001026700000000, 0.0001871500000000 ] - [ 0.0002711000000000, 0.0003713700000000, -0.0000682300000000 ] - [ -0.0081034400000000, 0.0102757500000000, 0.0008271300000000 ] - [ 0.0056639000000000, -0.0028671700000000, 0.0045731700000000 ] - [ 0.0006766100000000, 0.0003224800000000, 0.0004469600000000 ] - [ 0.0000949300000000, 0.0006083000000000, 0.0028127100000000 ] - [ 0.0002237800000000, 0.0004066000000000, -0.0004866200000000 ] - [ 0.0005346400000000, 0.0000660200000000, -0.0000615800000000 ] - [ -0.0004354100000000, -0.0000413900000000, 0.0003359500000000 ] - [ -0.0005910900000000, -0.0004152900000000, 0.0040964800000000 ] - [ 0.0002080500000000, -0.0004363600000000, 0.0003075700000000 ] - [ -0.0001532100000000, 0.0000563200000000, -0.0001406100000000 ] - [ -0.0004023000000000, -0.0003554700000000, -0.0018516300000000 ] - [ 0.0003158900000000, 0.0004428300000000, -0.0001428800000000 ] - [ -0.0020898600000000, 0.0010975900000000, -0.0021922200000000 ] - [ 0.0010094900000000, 0.0003032900000000, -0.0000192200000000 ] - [ 0.0000446000000000, 0.0004463900000000, 0.0008070500000000 ] - [ -0.0001799600000000, -0.0005118800000000, -0.0002208100000000 ] - [ -0.0009267400000000, -0.0007642600000000, 0.0018485500000000 ] - [ 0.0091134200000000, 0.0089183500000000, -0.0106925800000000 ] - [ 0.0002778500000000, -0.0003559400000000, -0.0000951400000000 ] - [ 0.0000478700000000, -0.0004505400000000, 0.0007864200000000 ] - [ 0.0000157300000000, 0.0004243800000000, 0.0003887400000000 ] - [ -0.0003814300000000, -0.0002314700000000, 0.0026991200000000 ] - [ -0.0010423900000000, 0.0008166000000000, 0.0013959800000000 ] - [ 0.0005263500000000, -0.0004271900000000, -0.0000255500000000 ] - [ 0.0001890800000000, 0.0004360600000000, 0.0003686900000000 ] - [ -0.0001787100000000, -0.0000102000000000, 0.0004873700000000 ] - [ -0.0000013300000000, 0.0000049300000000, -0.0000325700000000 ] - [ -0.0067294100000000, 0.0030069000000000, -0.0023117700000000 ] - [ -0.0000957300000000, 0.0001802200000000, 0.0005321200000000 ] - [ -0.0003699500000000, 0.0001636000000000, -0.0003516300000000 ] - [ -0.0000712300000000, -0.0003514300000000, -0.0002037800000000 ] - [ -0.0000551900000000, -0.0001244500000000, -0.0000492400000000 ] - [ 0.0000715900000000, -0.0003535700000000, 0.0011475100000000 ] - [ 0.0004227200000000, 0.0001097300000000, -0.0001414900000000 ] - [ -0.0002604500000000, 0.0000464800000000, -0.0004331400000000 ] - [ 0.0006989500000000, -0.0006018700000000, -0.0004108000000000 ] - [ -0.0000569700000000, 0.0001602900000000, -0.0003910200000000 ] - [ 0.0003762200000000, -0.0000055100000000, 0.0001368000000000 ] - [ -0.0016644300000000, 0.0003133200000000, 0.0006721100000000 ] - [ 0.0001363300000000, 0.0001143000000000, -0.0004784600000000 ] - [ 0.0019699000000000, -0.0002328300000000, 0.0007660600000000 ] - [ 0.0004675400000000, -0.0006137500000000, 0.0004089800000000 ] - [ 0.0004709600000000, 0.0006137200000000, 0.0004118400000000 ] - [ 0.0001509800000000, 0.0000436700000000, -0.0002456600000000 ] - [ 0.0001268100000000, -0.0001148900000000, -0.0004771000000000 ] - [ 0.0004003900000000, -0.0000912100000000, 0.0000495400000000 ] - [ 0.0002428400000000, -0.0001441400000000, 0.0003875000000000 ] - [ -0.0010100800000000, 0.0013068600000000, 0.0014936600000000 ] - [ 0.0004481500000000, -0.0000200500000000, 0.0000345900000000 ] - [ -0.0003739300000000, -0.0001620200000000, -0.0003561900000000 ] - [ 0.0004419700000000, 0.0001660500000000, -0.0002450900000000 ] - [ -0.0001165900000000, -0.0001062200000000, -0.0002949700000000 ] - [ 0.0003688100000000, 0.0003453900000000, -0.0003301400000000 ] - [ 0.0002706900000000, 0.0001135200000000, -0.0000221100000000 ] - [ 0.0001699300000000, -0.0000487300000000, -0.0002237700000000 ] - [ 0.0003707200000000, 0.0000075900000000, 0.0001493300000000 ] - [ -0.0010858600000000, -0.0021271300000000, -0.0016396600000000 ] - [ 0.0006079200000000, -0.0001929200000000, -0.0002086700000000 ] - [ 0.0003977900000000, -0.0001468000000000, -0.0002939500000000 ] - [ -0.0002273900000000, 0.0000957000000000, 0.0000699100000000 ] - [ -0.0000593600000000, 0.0003466500000000, -0.0002175400000000 ] - [ 0.0004357500000000, 0.0001296200000000, -0.0001876500000000 ] - [ -0.0000681900000000, 0.0006131200000000, 0.0022505500000000 ] - [ 0.0000314700000000, -0.0004006800000000, 0.0000345400000000 ] - [ -0.0002611800000000, -0.0000496500000000, -0.0004239900000000 ] - [ 0.0003638600000000, 0.0000299800000000, -0.0003049200000000 ] - [ 0.0029364800000000, 0.0018306600000000, -0.0021015600000000 ] - [ -0.0008631200000000, -0.0000096600000000, -0.0028026100000000 ] - [ -0.0001013300000000, 0.0004367500000000, 0.0001527700000000 ] - [ 0.0004488800000000, 0.0000197200000000, 0.0000412100000000 ] - [ 0.0003643600000000, -0.0000283300000000, -0.0002998600000000 ] - [ 0.0004588700000000, -0.0004759100000000, -0.0001062200000000 ] - [ 0.0009846100000000, -0.0007324500000000, 0.0022005300000000 ] - [ -0.0000381900000000, 0.0001063700000000, 0.0000196800000000 ] - [ 0.0001516700000000, 0.0001218900000000, 0.0000581100000000 ] - [ -0.0000985600000000, 0.0001153200000000, -0.0003153000000000 ] - [ -0.0002944100000000, 0.0000373500000000, -0.0000192500000000 ]- atom: 54 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0007339300000000, 0.0002030000000000, 0.0001916700000000 ] - [ -0.0015182600000000, 0.0001748100000000, 0.0005514100000000 ] - [ 0.0029902300000000, 0.0003779200000000, 0.0007023000000000 ] - [ -0.0011007100000000, -0.0004182400000000, 0.0035342300000000 ] - [ 0.0001436300000000, 0.0001180700000000, -0.0002925800000000 ] - [ -0.0002247200000000, -0.0002510600000000, 0.0001845700000000 ] - [ 0.0001191000000000, -0.0001146600000000, -0.0002991800000000 ] - [ -0.0002273300000000, 0.0002506300000000, 0.0001863800000000 ] - [ 0.0012762000000000, 0.0000969500000000, 0.0009178200000000 ] - [ -0.0015343400000000, -0.0007995100000000, -0.0020577800000000 ] - [ 0.0074823400000000, 0.0063324000000000, -0.0048980800000000 ] - [ -0.0023742900000000, -0.0005163600000000, 0.0059027100000000 ] - [ 0.0005540700000000, 0.0001919200000000, -0.0002749200000000 ] - [ 0.0006099700000000, -0.0001798600000000, -0.0004004900000000 ] - [ 0.0003887200000000, 0.0002341300000000, 0.0000877500000000 ] - [ 0.0004125700000000, -0.0002243400000000, 0.0001178200000000 ] - [ -0.0128634400000000, -0.0554461500000000, -0.2225371300000000 ] - [ 0.0047226500000000, -0.0043898800000000, 0.0059477700000000 ] - [ -0.0049504200000000, 0.0018792400000000, -0.0039576100000000 ] - [ 0.0001102000000000, 0.0006666500000000, 0.0008986000000000 ] - [ -0.0136855600000000, 0.0129722200000000, -0.0198254900000000 ] - [ -0.0000433800000000, 0.0003575800000000, -0.0003573600000000 ] - [ 0.0001519400000000, 0.0001759000000000, 0.0009682900000000 ] - [ 0.0001167900000000, -0.0006764300000000, 0.0007852400000000 ] - [ -0.0004337100000000, 0.0006546800000000, 0.0047737000000000 ] - [ 0.0007506100000000, -0.0002681500000000, -0.0001939800000000 ] - [ 0.0003478400000000, 0.0003509300000000, -0.0000535100000000 ] - [ 0.0005348500000000, -0.0003084700000000, -0.0001468600000000 ] - [ 0.0017805100000000, 0.0005310700000000, -0.0014557400000000 ] - [ 0.0007715500000000, 0.0001814700000000, 0.0003956800000000 ] - [ -0.0016896300000000, 0.0005230600000000, 0.0042443900000000 ] - [ 0.0009231300000000, 0.0001522300000000, 0.0000003100000000 ] - [ 0.0003435900000000, -0.0000272400000000, -0.0000277600000000 ] - [ 0.0009693900000000, -0.0008409900000000, 0.0004632900000000 ] - [ 0.0009922700000000, 0.0008348500000000, 0.0004543100000000 ] - [ -0.0005393500000000, 0.0011490400000000, 0.0032973200000000 ] - [ 0.0010070000000000, 0.0000494600000000, -0.0002107500000000 ] - [ 0.0007609600000000, -0.0001119400000000, -0.0002902200000000 ] - [ 0.0006377500000000, 0.0000417600000000, 0.0000621700000000 ] - [ 0.0011815900000000, -0.0001965400000000, -0.0029606900000000 ] - [ 0.0010107200000000, -0.0000535000000000, -0.0001717100000000 ] - [ 0.0006513600000000, -0.0002548100000000, -0.0003497500000000 ] - [ 0.0019336800000000, 0.0005839100000000, 0.0003113000000000 ] - [ -0.0008998400000000, -0.0004075100000000, -0.0001975700000000 ] - [ 0.0005167700000000, -0.0000136300000000, -0.0001285000000000 ] - [ 0.0007990900000000, 0.0001202300000000, 0.0006337800000000 ] - [ 0.0003438900000000, 0.0000274300000000, -0.0000185800000000 ] - [ 0.0001545400000000, -0.0001495100000000, -0.0001647500000000 ] - [ -0.0000521500000000, -0.0004696900000000, -0.0021136300000000 ] - [ -0.0005171500000000, -0.0004788700000000, -0.0013662000000000 ] - [ -0.0010214400000000, -0.0001454500000000, 0.0009056200000000 ] - [ -0.0003412500000000, -0.0000789000000000, 0.0005484800000000 ] - [ -0.0001043700000000, 0.0003766200000000, 0.0003380900000000 ] - [ 0.0165717100000000, 0.0593317200000000, 0.2455820800000000 ] - [ -0.0001642100000000, -0.0001809700000000, 0.0000083700000000 ] - [ -0.0002383900000000, 0.0000668500000000, 0.0000076800000000 ] - [ 0.0025507400000000, -0.0008429300000000, 0.0049767300000000 ] - [ -0.0008341100000000, 0.0002684600000000, 0.0002704000000000 ] - [ 0.0039986500000000, 0.0024129900000000, -0.0021389100000000 ] - [ -0.0007554400000000, -0.0002436600000000, 0.0002947800000000 ] - [ 0.0000784700000000, -0.0008445100000000, -0.0018553400000000 ] - [ 0.0057826200000000, -0.0031750400000000, -0.0022996700000000 ] - [ -0.0012917900000000, -0.0000306300000000, 0.0000109100000000 ] - [ -0.0059966600000000, 0.0010556500000000, -0.0119122900000000 ] - [ 0.0001110800000000, -0.0003080700000000, -0.0001076400000000 ] - [ -0.0000927200000000, -0.0003354500000000, 0.0002251800000000 ] - [ -0.0000077600000000, 0.0004301200000000, -0.0000454600000000 ] - [ 0.0082834100000000, -0.0104568000000000, -0.0009617900000000 ] - [ -0.0065321200000000, 0.0024669200000000, -0.0051187100000000 ] - [ -0.0003905300000000, -0.0000361900000000, -0.0011493500000000 ] - [ -0.0007698000000000, -0.0006365700000000, -0.0033482200000000 ] - [ 0.0001082500000000, 0.0002583200000000, -0.0001068900000000 ] - [ -0.0001966400000000, 0.0002924600000000, 0.0000702500000000 ] - [ 0.0004976100000000, -0.0000433600000000, -0.0007608900000000 ] - [ 0.0010641400000000, 0.0003726400000000, -0.0037569400000000 ] - [ -0.0001407400000000, -0.0005780600000000, 0.0004156400000000 ] - [ 0.0007768300000000, -0.0002342800000000, -0.0002901700000000 ] - [ 0.0006683600000000, 0.0000660000000000, 0.0011301000000000 ] - [ -0.0003928900000000, 0.0000027300000000, 0.0000165500000000 ] - [ 0.0015206600000000, -0.0001635300000000, 0.0018660700000000 ] - [ -0.0003800200000000, -0.0001235500000000, -0.0004104100000000 ] - [ -0.0004080600000000, 0.0002537100000000, 0.0007182900000000 ] - [ -0.0002160500000000, -0.0004061600000000, 0.0004952000000000 ] - [ 0.0000730800000000, 0.0007109400000000, -0.0028230400000000 ] - [ -0.0085359300000000, -0.0087928900000000, 0.0099833900000000 ] - [ -0.0000143500000000, -0.0004453700000000, -0.0000186600000000 ] - [ -0.0004111300000000, -0.0002498700000000, 0.0007386000000000 ] - [ -0.0004107800000000, 0.0004936100000000, -0.0001104300000000 ] - [ 0.0005865900000000, 0.0002780300000000, -0.0027912600000000 ] - [ 0.0014224400000000, -0.0007258100000000, -0.0019150700000000 ] - [ -0.0001920500000000, -0.0002382300000000, -0.0005651800000000 ] - [ -0.0001220900000000, 0.0005784400000000, 0.0003545300000000 ] - [ -0.0001508700000000, 0.0002447400000000, -0.0005276300000000 ] - [ -0.0001276000000000, -0.0001258000000000, -0.0002817600000000 ] - [ 0.0061066900000000, -0.0029506400000000, 0.0017361200000000 ] - [ -0.0003773100000000, 0.0000927800000000, 0.0006135900000000 ] - [ -0.0006714200000000, 0.0001064500000000, -0.0003424500000000 ] - [ -0.0004945400000000, -0.0005837700000000, -0.0001186600000000 ] - [ -0.0002730300000000, -0.0001108600000000, 0.0000065200000000 ] - [ -0.0005467600000000, 0.0000799600000000, 0.0000030300000000 ] - [ -0.0001323100000000, 0.0003214200000000, 0.0005522900000000 ] - [ -0.0005800800000000, 0.0000076700000000, -0.0005402900000000 ] - [ -0.0007780400000000, 0.0001581900000000, 0.0002881600000000 ] - [ -0.0000712600000000, -0.0000382500000000, 0.0000735800000000 ] - [ 0.0001044300000000, 0.0000535600000000, 0.0002005100000000 ] - [ 0.0006020600000000, 0.0000618000000000, 0.0000259700000000 ] - [ -0.0002281200000000, 0.0000036600000000, -0.0004945100000000 ] - [ -0.0030199800000000, -0.0001404700000000, -0.0000540100000000 ] - [ 0.0001997900000000, -0.0006892900000000, 0.0004028400000000 ] - [ 0.0001965100000000, 0.0006894500000000, 0.0003996400000000 ] - [ -0.0000836600000000, 0.0000428800000000, -0.0001858400000000 ] - [ -0.0002184100000000, -0.0000031600000000, -0.0004956300000000 ] - [ -0.0000637000000000, -0.0002666100000000, -0.0000387600000000 ] - [ 0.0000350300000000, -0.0002969600000000, 0.0000249200000000 ] - [ 0.0012710500000000, -0.0005071400000000, -0.0016117400000000 ] - [ -0.0002305900000000, -0.0000266200000000, -0.0001556200000000 ] - [ -0.0006674000000000, -0.0001079100000000, -0.0003385200000000 ] - [ -0.0001575400000000, 0.0001195000000000, -0.0004612500000000 ] - [ -0.0005556600000000, 0.0000741500000000, -0.0002553700000000 ] - [ -0.0000329300000000, 0.0003208600000000, -0.0002612600000000 ] - [ 0.0000666000000000, 0.0002448800000000, 0.0000298800000000 ] - [ -0.0001031100000000, -0.0000376600000000, -0.0002065800000000 ] - [ 0.0001100200000000, -0.0000554100000000, 0.0001881800000000 ] - [ 0.0011553200000000, 0.0011062500000000, 0.0023507700000000 ] - [ 0.0000179900000000, 0.0000145400000000, -0.0002215200000000 ] - [ -0.0001132300000000, -0.0001386100000000, -0.0004123400000000 ] - [ 0.0001491000000000, 0.0003501600000000, -0.0001989400000000 ] - [ -0.0005063100000000, 0.0005884100000000, -0.0001047800000000 ] - [ 0.0001903300000000, 0.0000491100000000, -0.0002437100000000 ] - [ -0.0003070100000000, 0.0000818000000000, -0.0007279000000000 ] - [ -0.0004266800000000, -0.0005175500000000, 0.0002422800000000 ] - [ -0.0005795200000000, -0.0000041900000000, -0.0005494200000000 ] - [ 0.0000248100000000, -0.0001163600000000, -0.0002196800000000 ] - [ -0.0026813900000000, -0.0026509600000000, 0.0020020700000000 ] - [ 0.0005862600000000, -0.0006968200000000, 0.0043118100000000 ] - [ -0.0002938300000000, 0.0004807000000000, 0.0001225600000000 ] - [ -0.0002307800000000, 0.0000275600000000, -0.0001628800000000 ] - [ 0.0000240800000000, 0.0001146900000000, -0.0002251200000000 ] - [ -0.0001266700000000, -0.0001889300000000, -0.0004862800000000 ] - [ -0.0009226900000000, 0.0017480200000000, -0.0014741600000000 ] - [ -0.0002909200000000, 0.0001293500000000, -0.0000627200000000 ] - [ -0.0002811900000000, -0.0002428100000000, -0.0003718600000000 ] - [ -0.0005735200000000, -0.0000832300000000, -0.0002346500000000 ] - [ -0.0001765800000000, 0.0002332600000000, 0.0011585600000000 ]- atom: 55 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0014098100000000, -0.0001021300000000, -0.0008274200000000 ] - [ -0.0009669600000000, -0.0002985600000000, 0.0000154300000000 ] - [ -0.0002208300000000, -0.0002034800000000, -0.0000324600000000 ] - [ -0.0007421800000000, 0.0002865000000000, 0.0001449500000000 ] - [ -0.0006941500000000, 0.0001274700000000, -0.0003040600000000 ] - [ -0.0010523400000000, -0.0003181900000000, -0.0000153300000000 ] - [ -0.0005975500000000, -0.0001265800000000, -0.0003108500000000 ] - [ -0.0006863600000000, 0.0002843500000000, 0.0001576200000000 ] - [ 0.0014950200000000, 0.0006844000000000, -0.0012178500000000 ] - [ -0.0040071900000000, 0.0002249300000000, 0.0027712300000000 ] - [ -0.0023737900000000, 0.0003852300000000, 0.0000946900000000 ] - [ -0.0020830700000000, -0.0003377200000000, 0.0000733400000000 ] - [ -0.0018867100000000, 0.0000030600000000, -0.0003778400000000 ] - [ -0.0019987700000000, 0.0000058300000000, -0.0004335700000000 ] - [ -0.0057909700000000, 0.0021698800000000, -0.0044058300000000 ] - [ -0.0002199400000000, 0.0004295000000000, 0.0017685100000000 ] - [ -0.0015308600000000, -0.0001828100000000, 0.0000274000000000 ] - [ -0.0009135200000000, -0.0006811200000000, 0.0001571600000000 ] - [ -0.0008771000000000, 0.0006761700000000, 0.0002828400000000 ] - [ 0.0021336200000000, 0.0011191300000000, 0.0085375400000000 ] - [ -0.0026145700000000, -0.0004068100000000, 0.0008536500000000 ] - [ -0.0053963200000000, 0.0044011700000000, -0.0051334600000000 ] - [ -0.0013942000000000, -0.0022078400000000, -0.0062561700000000 ] - [ 0.0062856900000000, -0.0044806200000000, -0.0050102900000000 ] - [ -0.0016532400000000, 0.0002979900000000, -0.0006827800000000 ] - [ 0.0107384000000000, -0.0046105300000000, 0.0059860500000000 ] - [ 0.1069793700000000, -0.0686391400000000, -0.0668771500000000 ] - [ 0.0058492700000000, -0.0006070000000000, -0.0000507400000000 ] - [ 0.0003831600000000, 0.0003207600000000, 0.0044238200000000 ] - [ 0.0095871300000000, -0.0005964500000000, -0.0030719700000000 ] - [ -0.0015917000000000, 0.0001148200000000, -0.0003405700000000 ] - [ 0.0037055000000000, 0.0000897200000000, 0.0019657100000000 ] - [ -0.0009098300000000, -0.0001517500000000, -0.0006673600000000 ] - [ -0.0018788800000000, -0.0024220400000000, 0.0021866500000000 ] - [ 0.0011762200000000, 0.0003732400000000, -0.0000280600000000 ] - [ -0.0019966600000000, 0.0001590400000000, 0.0007728900000000 ] - [ -0.0023815300000000, -0.0004647100000000, -0.0005581200000000 ] - [ -0.0016686800000000, 0.0003198000000000, -0.0002371200000000 ] - [ -0.0014417500000000, -0.0005227000000000, -0.0003393100000000 ] - [ -0.0020376400000000, -0.0001421500000000, 0.0008016600000000 ] - [ -0.0020171500000000, 0.0003294900000000, 0.0002889700000000 ] - [ -0.0014143300000000, -0.0002692200000000, 0.0004657200000000 ] - [ -0.0017279400000000, 0.0003939500000000, 0.0003236100000000 ] - [ -0.0017013800000000, -0.0003993800000000, 0.0003399200000000 ] - [ -0.0014303000000000, 0.0005649100000000, -0.0004468600000000 ] - [ -0.0014021500000000, 0.0002670700000000, 0.0004746200000000 ] - [ -0.0018399900000000, 0.0001707900000000, 0.0006138000000000 ] - [ -0.0016282300000000, -0.0003048600000000, -0.0002422500000000 ] - [ 0.0002185700000000, 0.0002681800000000, -0.0002236000000000 ] - [ 0.0002176400000000, -0.0002046900000000, -0.0001393500000000 ] - [ 0.0001088900000000, -0.0004807200000000, -0.0016612700000000 ] - [ -0.0029467600000000, 0.0030444900000000, -0.0094112800000000 ] - [ -0.0085522000000000, 0.0024731700000000, 0.0025232500000000 ] - [ 0.0003441900000000, 0.0000763300000000, -0.0003510300000000 ] - [ -0.1322714500000000, 0.0864626600000000, 0.0779317200000000 ] - [ -0.0019685500000000, 0.0027061300000000, -0.0023717600000000 ] - [ 0.0008351300000000, -0.0001047200000000, 0.0000082800000000 ] - [ -0.0034200100000000, 0.0015494600000000, -0.0013144900000000 ] - [ 0.0006970700000000, 0.0002871800000000, -0.0004878800000000 ] - [ 0.0183251200000000, -0.0076067300000000, -0.0032415000000000 ] - [ 0.0009391200000000, -0.0004682600000000, 0.0004630200000000 ] - [ 0.0008906700000000, 0.0005153200000000, 0.0003797700000000 ] - [ 0.0003979300000000, -0.0000897500000000, -0.0014196100000000 ] - [ 0.0007393500000000, -0.0003066800000000, -0.0004166700000000 ] - [ 0.0042696800000000, -0.0016251200000000, 0.0101896400000000 ] - [ -0.0045759600000000, -0.0028295900000000, 0.0019372800000000 ] - [ 0.0005532600000000, -0.0007882400000000, -0.0019114000000000 ] - [ 0.0018429100000000, -0.0000198900000000, 0.0003453500000000 ] - [ 0.0000337600000000, -0.0002292000000000, -0.0005076600000000 ] - [ 0.0013076600000000, 0.0008364300000000, 0.0012146900000000 ] - [ 0.0001058400000000, -0.0001266300000000, -0.0001188900000000 ] - [ -0.0032774100000000, -0.0019991400000000, -0.0053419100000000 ] - [ -0.0010223000000000, 0.0009513500000000, -0.0016268500000000 ] - [ 0.0005659200000000, -0.0007949200000000, 0.0013230200000000 ] - [ 0.0007941200000000, 0.0001121500000000, 0.0001160500000000 ] - [ -0.0006904000000000, 0.0004489500000000, 0.0032407700000000 ] - [ 0.0103443100000000, -0.0031009800000000, 0.0019114500000000 ] - [ 0.0005540600000000, 0.0001313000000000, -0.0011816900000000 ] - [ -0.0031144700000000, -0.0011755100000000, 0.0005672200000000 ] - [ 0.0011139000000000, -0.0001408400000000, -0.0006171700000000 ] - [ -0.0009916600000000, -0.0002894000000000, -0.0008645700000000 ] - [ -0.0003947100000000, 0.0005462300000000, -0.0007158100000000 ] - [ 0.0062099600000000, -0.0022804000000000, -0.0024671000000000 ] - [ 0.0001987400000000, -0.0001697700000000, -0.0001246500000000 ] - [ 0.0009578400000000, 0.0003439400000000, -0.0005903900000000 ] - [ -0.0009460200000000, -0.0013981400000000, 0.0017037300000000 ] - [ -0.0008100500000000, 0.0001927100000000, 0.0019955000000000 ] - [ -0.0014118100000000, 0.0004993800000000, 0.0004688200000000 ] - [ 0.0012590000000000, 0.0000112100000000, 0.0003114100000000 ] - [ 0.0009041700000000, -0.0001811200000000, -0.0002651900000000 ] - [ -0.0030727500000000, 0.0011379400000000, -0.0011508300000000 ] - [ 0.0011985400000000, 0.0005783000000000, -0.0060130100000000 ] - [ 0.0004889100000000, -0.0002880000000000, 0.0017619900000000 ] - [ -0.0054074200000000, -0.0017702600000000, 0.0024919400000000 ] - [ 0.0013744100000000, 0.0006776200000000, -0.0009367200000000 ] - [ -0.0026504900000000, -0.0013633300000000, 0.0006300800000000 ] - [ 0.0002214400000000, 0.0001617600000000, -0.0005456500000000 ] - [ 0.0005773900000000, 0.0000024900000000, -0.0004062200000000 ] - [ 0.0003329300000000, -0.0001063400000000, 0.0000341300000000 ] - [ 0.0002833900000000, -0.0003512500000000, 0.0005426800000000 ] - [ 0.0011942800000000, -0.0003640400000000, -0.0001258100000000 ] - [ 0.0002192800000000, 0.0003536200000000, 0.0002613100000000 ] - [ 0.0009955200000000, -0.0007966000000000, -0.0004008800000000 ] - [ 0.0004309800000000, -0.0000950000000000, -0.0002373800000000 ] - [ 0.0001740000000000, -0.0001672400000000, 0.0011908400000000 ] - [ 0.0006034400000000, -0.0001128000000000, 0.0006449100000000 ] - [ -0.0000135900000000, 0.0002443800000000, -0.0003922500000000 ] - [ 0.0006475600000000, 0.0001133600000000, 0.0006639900000000 ] - [ 0.0012205000000000, -0.0008499800000000, 0.0004762100000000 ] - [ 0.0005397100000000, 0.0005211800000000, 0.0002369600000000 ] - [ 0.0005496100000000, 0.0000541100000000, -0.0002760200000000 ] - [ 0.0022198200000000, 0.0005132000000000, -0.0011337800000000 ] - [ 0.0008839000000000, 0.0001521500000000, 0.0000096700000000 ] - [ 0.0011827200000000, 0.0003577000000000, -0.0001232500000000 ] - [ 0.0007313100000000, 0.0002528800000000, -0.0001627300000000 ] - [ 0.0022823700000000, -0.0000648800000000, 0.0005376600000000 ] - [ -0.0000206600000000, -0.0002808500000000, -0.0002499400000000 ] - [ 0.0012905200000000, 0.0002058600000000, -0.0000372400000000 ] - [ 0.0005915700000000, -0.0004031900000000, -0.0004542400000000 ] - [ 0.0012594800000000, 0.0006717700000000, 0.0000468600000000 ] - [ 0.0008801400000000, -0.0001608800000000, 0.0000255900000000 ] - [ 0.0006036100000000, -0.0000568300000000, -0.0003298100000000 ] - [ 0.0012598200000000, -0.0000848300000000, -0.0012268800000000 ] - [ 0.0007398000000000, -0.0002117400000000, 0.0002455400000000 ] - [ 0.0012218900000000, -0.0004022700000000, -0.0001508700000000 ] - [ 0.0013845700000000, -0.0001953400000000, 0.0000555800000000 ] - [ 0.0009812300000000, 0.0007893900000000, -0.0003989500000000 ] - [ 0.0007649500000000, -0.0000958300000000, -0.0003211600000000 ] - [ 0.0011875800000000, 0.0003907300000000, -0.0001449300000000 ] - [ 0.0007765800000000, 0.0007647900000000, 0.0009298300000000 ] - [ 0.0004991400000000, -0.0002742800000000, -0.0000439100000000 ] - [ 0.0001167100000000, 0.0000412300000000, -0.0006686700000000 ] - [ 0.0007435500000000, 0.0002218500000000, -0.0002862700000000 ] - [ 0.0007570900000000, -0.0002348700000000, -0.0001696700000000 ] - [ 0.0008188500000000, -0.0007797400000000, 0.0008978300000000 ] - [ 0.0004815100000000, 0.0002836700000000, -0.0000536300000000 ] - [ 0.0011712200000000, -0.0000028500000000, 0.0001537500000000 ] - [ 0.0010465600000000, -0.0002819800000000, -0.0005612500000000 ] - [ 0.0012376500000000, -0.0006703300000000, 0.0000345500000000 ] - [ 0.0007474500000000, 0.0001915400000000, 0.0002789800000000 ] - [ 0.0003464300000000, 0.0001095500000000, -0.0000146200000000 ] - [ 0.0004336600000000, 0.0000952500000000, -0.0002435700000000 ] - [ 0.0006985300000000, 0.0004603100000000, -0.0003391200000000 ] - [ 0.0002829400000000, 0.0003493600000000, 0.0005288300000000 ]- atom: 55 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0013882500000000, 0.0003412600000000, 0.0002327800000000 ] - [ 0.0002847800000000, -0.0002200700000000, 0.0003171200000000 ] - [ 0.0001911300000000, -0.0000334100000000, -0.0005667300000000 ] - [ 0.0000585600000000, 0.0002317800000000, 0.0001870900000000 ] - [ 0.0006674200000000, 0.0001094100000000, -0.0002932800000000 ] - [ 0.0003691900000000, -0.0002004000000000, 0.0003479000000000 ] - [ 0.0005709000000000, -0.0001107500000000, -0.0002871500000000 ] - [ 0.0000037200000000, 0.0002340100000000, 0.0001743600000000 ] - [ -0.0012882100000000, -0.0003829800000000, 0.0005278200000000 ] - [ 0.0042409600000000, -0.0005357900000000, -0.0034980400000000 ] - [ 0.0021986300000000, 0.0001237400000000, 0.0001042500000000 ] - [ 0.0019064300000000, -0.0001710400000000, 0.0001256500000000 ] - [ 0.0021152700000000, 0.0003016000000000, -0.0003202900000000 ] - [ 0.0022263100000000, -0.0003103500000000, -0.0002644200000000 ] - [ 0.0055984700000000, -0.0016470900000000, 0.0045849700000000 ] - [ 0.0000474100000000, -0.0009426500000000, -0.0015740800000000 ] - [ 0.0015158100000000, 0.0000830400000000, -0.0001236100000000 ] - [ 0.0021806900000000, -0.0009361900000000, 0.0006722500000000 ] - [ 0.0021434500000000, 0.0009414000000000, 0.0005462700000000 ] - [ -0.0027288600000000, 0.0000475700000000, -0.0069151300000000 ] - [ 0.0034590000000000, 0.0003583200000000, -0.0011912800000000 ] - [ 0.0055129400000000, -0.0041341200000000, 0.0046861500000000 ] - [ 0.0018024000000000, 0.0020568900000000, 0.0060895400000000 ] - [ -0.0068126500000000, 0.0033435700000000, 0.0067266600000000 ] - [ 0.0024936300000000, -0.0002489700000000, 0.0003554300000000 ] - [ -0.0101842400000000, 0.0042251800000000, -0.0055689800000000 ] - [ -0.1042851100000000, 0.0661793900000000, 0.0633727400000000 ] - [ -0.0058053000000000, -0.0000742200000000, 0.0000137700000000 ] - [ 0.0000087800000000, -0.0001610700000000, -0.0046578300000000 ] - [ -0.0089494300000000, 0.0009981400000000, 0.0034417900000000 ] - [ 0.0015776200000000, -0.0000143600000000, 0.0002463800000000 ] - [ -0.0036202600000000, -0.0002602200000000, -0.0024308300000000 ] - [ 0.0008972300000000, 0.0000513000000000, 0.0005699600000000 ] - [ 0.0031610800000000, 0.0007769900000000, -0.0013296500000000 ] - [ 0.0000883300000000, 0.0012470800000000, 0.0008523400000000 ] - [ 0.0014334400000000, 0.0009943500000000, 0.0008917600000000 ] - [ 0.0032216700000000, 0.0004153100000000, 0.0002243100000000 ] - [ 0.0017840800000000, -0.0001510400000000, -0.0002292100000000 ] - [ 0.0018480800000000, 0.0003645300000000, 0.0001390300000000 ] - [ 0.0014744200000000, -0.0010110200000000, 0.0008626900000000 ] - [ 0.0028607900000000, -0.0002806200000000, -0.0006208400000000 ] - [ 0.0021144900000000, -0.0001652400000000, -0.0000887200000000 ] - [ 0.0018053600000000, 0.0002944200000000, -0.0003686600000000 ] - [ 0.0017785100000000, -0.0002889600000000, -0.0003844800000000 ] - [ 0.0018363100000000, -0.0004066000000000, 0.0002461300000000 ] - [ 0.0021025400000000, 0.0001674700000000, -0.0000976600000000 ] - [ 0.0018264500000000, -0.0000700200000000, -0.0007055600000000 ] - [ 0.0017441600000000, 0.0001361600000000, -0.0002243800000000 ] - [ -0.0012675000000000, -0.0000006600000000, -0.0004714700000000 ] - [ -0.0007885400000000, -0.0007339500000000, -0.0001825800000000 ] - [ -0.0004401200000000, 0.0002460100000000, 0.0016330600000000 ] - [ 0.0024146400000000, -0.0032829300000000, 0.0105553900000000 ] - [ 0.0088749500000000, -0.0019777700000000, -0.0022087200000000 ] - [ -0.0011899200000000, -0.0000215800000000, -0.0006235300000000 ] - [ 0.1294313800000000, -0.0839057100000000, -0.0743123500000000 ] - [ 0.0018561900000000, -0.0026088200000000, 0.0020643500000000 ] - [ -0.0003592200000000, 0.0001537600000000, 0.0003323200000000 ] - [ 0.0023726700000000, -0.0011821800000000, 0.0020267100000000 ] - [ -0.0007955500000000, -0.0001728200000000, -0.0004866100000000 ] - [ -0.0188419600000000, 0.0070147900000000, 0.0037650100000000 ] - [ -0.0002770300000000, -0.0008374700000000, 0.0003467300000000 ] - [ -0.0002282200000000, 0.0007904600000000, 0.0004302800000000 ] - [ -0.0003332700000000, 0.0001764900000000, 0.0009940400000000 ] - [ -0.0008380800000000, 0.0001925400000000, -0.0005579800000000 ] - [ -0.0039805100000000, 0.0012789000000000, -0.0103282200000000 ] - [ 0.0048879100000000, 0.0024125600000000, -0.0015378600000000 ] - [ -0.0002958800000000, 0.0015947100000000, 0.0018065600000000 ] - [ -0.0016371700000000, -0.0000270500000000, -0.0004687100000000 ] - [ -0.0010811300000000, -0.0000383100000000, -0.0001862700000000 ] - [ -0.0010342600000000, -0.0005534900000000, -0.0019318400000000 ] - [ -0.0007826800000000, 0.0000970100000000, -0.0004315800000000 ] - [ 0.0036361600000000, 0.0026817700000000, 0.0047939400000000 ] - [ 0.0013668400000000, -0.0005949300000000, 0.0016349400000000 ] - [ -0.0005030700000000, 0.0007178700000000, -0.0017639000000000 ] - [ -0.0003182500000000, -0.0001608900000000, 0.0002242700000000 ] - [ 0.0007565500000000, -0.0014619500000000, -0.0025211900000000 ] - [ -0.0098869400000000, 0.0029794900000000, -0.0023757300000000 ] - [ -0.0002731100000000, -0.0004187900000000, 0.0004815300000000 ] - [ 0.0030460200000000, 0.0016225200000000, -0.0006962900000000 ] - [ -0.0016900100000000, 0.0010813400000000, 0.0002984700000000 ] - [ 0.0016247300000000, 0.0004712300000000, 0.0004344700000000 ] - [ 0.0000212000000000, 0.0001452300000000, 0.0022485400000000 ] - [ -0.0067544300000000, 0.0013983100000000, 0.0028162100000000 ] - [ -0.0010437500000000, 0.0001159700000000, -0.0008513100000000 ] - [ -0.0005752100000000, -0.0004332600000000, 0.0000681400000000 ] - [ 0.0011960300000000, 0.0005907500000000, -0.0018266600000000 ] - [ 0.0004309000000000, -0.0008848900000000, -0.0004725700000000 ] - [ 0.0010249100000000, 0.0004163000000000, -0.0001971200000000 ] - [ -0.0010495700000000, 0.0000363100000000, -0.0004353900000000 ] - [ -0.0005217800000000, 0.0002698500000000, -0.0002595800000000 ] - [ 0.0034190200000000, -0.0018026400000000, 0.0005607400000000 ] - [ -0.0011383300000000, 0.0004189400000000, 0.0067674400000000 ] - [ -0.0008254200000000, 0.0005266500000000, -0.0018176100000000 ] - [ 0.0053157700000000, 0.0016620800000000, -0.0027934900000000 ] - [ -0.0020596200000000, -0.0006509600000000, 0.0003925400000000 ] - [ 0.0021825500000000, 0.0016349000000000, 0.0005071900000000 ] - [ -0.0012697200000000, 0.0001053400000000, -0.0001492200000000 ] - [ -0.0011513600000000, -0.0009427700000000, 0.0000861600000000 ] - [ -0.0006648200000000, -0.0001281800000000, -0.0000762300000000 ] - [ -0.0007607600000000, 0.0000801900000000, 0.0006028000000000 ] - [ -0.0009192800000000, 0.0008058000000000, 0.0005396900000000 ] - [ -0.0010642800000000, -0.0002972800000000, -0.0012343400000000 ] - [ -0.0010826800000000, 0.0003569300000000, 0.0002778500000000 ] - [ -0.0005637300000000, 0.0002175700000000, -0.0000763100000000 ] - [ 0.0002995800000000, 0.0002157600000000, -0.0008451400000000 ] - [ -0.0016666400000000, 0.0004886500000000, 0.0000579600000000 ] - [ -0.0000840800000000, -0.0001300400000000, -0.0005815600000000 ] - [ -0.0017105000000000, -0.0004885400000000, 0.0000390600000000 ] - [ -0.0005596300000000, -0.0004587500000000, 0.0003304800000000 ] - [ 0.0001205700000000, 0.0007834600000000, 0.0005779500000000 ] - [ -0.0004861200000000, 0.0000323700000000, -0.0001565000000000 ] - [ -0.0023080600000000, -0.0006160300000000, 0.0001478400000000 ] - [ -0.0005526000000000, -0.0005139200000000, -0.0000019500000000 ] - [ -0.0009077100000000, -0.0007992600000000, 0.0005373500000000 ] - [ -0.0004736900000000, 0.0005508100000000, 0.0000502100000000 ] - [ -0.0020695200000000, 0.0000173400000000, -0.0006622500000000 ] - [ -0.0010276900000000, 0.0000135800000000, -0.0004442900000000 ] - [ -0.0010152400000000, 0.0000807000000000, -0.0006713200000000 ] - [ -0.0012719000000000, 0.0003755300000000, -0.0000937700000000 ] - [ -0.0009335400000000, -0.0000093100000000, -0.0006410600000000 ] - [ -0.0005489300000000, 0.0005231000000000, -0.0000175000000000 ] - [ -0.0005401300000000, -0.0000291100000000, -0.0001027500000000 ] - [ -0.0007844100000000, 0.0000383400000000, 0.0015608900000000 ] - [ -0.0006781800000000, -0.0008040000000000, 0.0004805700000000 ] - [ -0.0006019500000000, 0.0002255100000000, -0.0002810800000000 ] - [ -0.0011089000000000, -0.0000910200000000, -0.0007636900000000 ] - [ -0.0010678600000000, -0.0003495200000000, 0.0002753100000000 ] - [ -0.0013377600000000, 0.0010352100000000, 0.0000010000000000 ] - [ -0.0005674900000000, -0.0002136100000000, -0.0002868100000000 ] - [ -0.0011481800000000, -0.0000681500000000, 0.0005956400000000 ] - [ -0.0008988300000000, -0.0006443100000000, 0.0003223000000000 ] - [ -0.0009634200000000, -0.0000948400000000, -0.0003076700000000 ] - [ -0.0003612100000000, -0.0003109800000000, -0.0002363400000000 ] - [ -0.0004996200000000, -0.0005687800000000, 0.0000573300000000 ] - [ -0.0011904300000000, 0.0000832400000000, 0.0006274600000000 ] - [ -0.0008816000000000, 0.0006352100000000, 0.0003319600000000 ] - [ -0.0009643200000000, 0.0000504600000000, -0.0002779600000000 ] - [ -0.0006643100000000, 0.0003712800000000, 0.0000372000000000 ] - [ -0.0009116800000000, 0.0000079900000000, -0.0006283400000000 ] - [ -0.0006859500000000, 0.0008245100000000, 0.0004467300000000 ] - [ -0.0006792400000000, 0.0001257200000000, -0.0000279000000000 ] - [ -0.0005663600000000, -0.0002175900000000, -0.0000700000000000 ] - [ -0.0013784900000000, -0.0004319700000000, -0.0002091800000000 ] - [ -0.0007599200000000, -0.0000780400000000, 0.0006167500000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009827600000000, 0.0003539600000000, 0.0001307800000000 ] - [ 0.0000296900000000, -0.0002412200000000, 0.0002562900000000 ] - [ 0.0000259700000000, -0.0000684600000000, -0.0004581800000000 ] - [ -0.0001409700000000, 0.0002456900000000, 0.0001746300000000 ] - [ 0.0003814100000000, 0.0001111400000000, -0.0002678000000000 ] - [ 0.0000776300000000, -0.0002105000000000, 0.0003337800000000 ] - [ 0.0002970800000000, -0.0001150800000000, -0.0003155200000000 ] - [ -0.0001689300000000, 0.0002553400000000, 0.0001127500000000 ] - [ -0.0009969300000000, -0.0001537700000000, 0.0003247800000000 ] - [ 0.0022186800000000, -0.0009054100000000, -0.0030507400000000 ] - [ 0.0011971700000000, 0.0001791200000000, 0.0000977400000000 ] - [ 0.0009983500000000, -0.0002124300000000, 0.0001211700000000 ] - [ 0.0012621800000000, 0.0002347900000000, -0.0003526900000000 ] - [ 0.0012449200000000, -0.0002370300000000, -0.0002851100000000 ] - [ 0.0023874600000000, -0.0008661300000000, 0.0026706700000000 ] - [ 0.0003885300000000, -0.0007021700000000, -0.0014988700000000 ] - [ 0.0008189400000000, 0.0000277100000000, -0.0001220900000000 ] - [ 0.0014974000000000, -0.0008800800000000, 0.0005655200000000 ] - [ 0.0014648600000000, 0.0008815700000000, 0.0004795200000000 ] - [ -0.0036396700000000, 0.0041493400000000, -0.0063722100000000 ] - [ 0.0021195200000000, 0.0002596300000000, -0.0009748900000000 ] - [ 0.0091062200000000, 0.0011065400000000, 0.0042422200000000 ] - [ 0.0004963500000000, 0.0006159300000000, 0.0039159000000000 ] - [ -0.0061195700000000, -0.0009917400000000, 0.0023901700000000 ] - [ 0.0014997000000000, -0.0001304000000000, 0.0002250000000000 ] - [ -0.0074442300000000, 0.0038171500000000, 0.0015808500000000 ] - [ -0.0794687700000000, 0.0990214200000000, 0.0647379900000000 ] - [ -0.0026981300000000, -0.0005298100000000, -0.0010398200000000 ] - [ -0.0003724700000000, -0.0000687000000000, -0.0028906300000000 ] - [ -0.0048952900000000, 0.0011364200000000, 0.0029220400000000 ] - [ 0.0008912100000000, 0.0000252200000000, 0.0001466500000000 ] - [ -0.0021602000000000, -0.0000540900000000, -0.0008320800000000 ] - [ 0.0003575300000000, -0.0000178400000000, 0.0001777300000000 ] - [ 0.0032335700000000, -0.0009883000000000, 0.0009233100000000 ] - [ -0.0002328800000000, 0.0008436700000000, -0.0002174100000000 ] - [ 0.0006688700000000, 0.0008068500000000, 0.0008694700000000 ] - [ 0.0018163200000000, 0.0001831500000000, 0.0000447600000000 ] - [ 0.0010091500000000, -0.0000452500000000, -0.0002179600000000 ] - [ 0.0011427800000000, 0.0001765600000000, 0.0000582300000000 ] - [ 0.0006928600000000, -0.0008169400000000, 0.0008463100000000 ] - [ 0.0018849600000000, -0.0001491400000000, -0.0004918100000000 ] - [ 0.0013241800000000, -0.0001910700000000, 0.0000320200000000 ] - [ 0.0010195600000000, 0.0003193900000000, -0.0002118600000000 ] - [ 0.0010012000000000, -0.0003141500000000, -0.0002262900000000 ] - [ 0.0010847500000000, -0.0001802900000000, 0.0000645100000000 ] - [ 0.0013283900000000, 0.0001903900000000, 0.0000328400000000 ] - [ 0.0012433600000000, -0.0000391900000000, -0.0003274900000000 ] - [ 0.0009995100000000, 0.0000382700000000, -0.0002416800000000 ] - [ -0.0009670300000000, 0.0000559100000000, -0.0004456400000000 ] - [ -0.0004996600000000, -0.0005714300000000, -0.0002127200000000 ] - [ -0.0002257400000000, 0.0002170500000000, 0.0011150800000000 ] - [ 0.0057496100000000, -0.0114874400000000, -0.0001268400000000 ] - [ 0.0023444600000000, 0.0086215400000000, -0.0061761100000000 ] - [ -0.0008623200000000, 0.0000093900000000, -0.0005345700000000 ] - [ 0.0838328900000000, -0.0971119600000000, -0.0623777800000000 ] - [ 0.0011956500000000, -0.0009498400000000, 0.0002078700000000 ] - [ -0.0000943000000000, 0.0000952400000000, 0.0002665400000000 ] - [ 0.0010697300000000, -0.0005182800000000, 0.0015572900000000 ] - [ -0.0004586100000000, -0.0000677100000000, -0.0004830700000000 ] - [ -0.0022882200000000, -0.0102404500000000, -0.0044309800000000 ] - [ -0.0000098500000000, -0.0007565100000000, 0.0003701700000000 ] - [ 0.0000250700000000, 0.0007260000000000, 0.0004241400000000 ] - [ -0.0000725800000000, 0.0001138200000000, 0.0004893100000000 ] - [ -0.0004927300000000, 0.0000824700000000, -0.0005283200000000 ] - [ -0.0003926000000000, -0.0020134800000000, -0.0048488000000000 ] - [ 0.0029385100000000, 0.0011789000000000, -0.0007427100000000 ] - [ 0.0001282300000000, 0.0006034900000000, 0.0022026600000000 ] - [ -0.0008975200000000, -0.0000280500000000, -0.0002636400000000 ] - [ -0.0008073100000000, -0.0000887500000000, -0.0002398900000000 ] - [ -0.0004717700000000, -0.0002620100000000, -0.0013919200000000 ] - [ -0.0005159900000000, 0.0000075100000000, -0.0004041800000000 ] - [ 0.0029223000000000, 0.0029437000000000, 0.0034245800000000 ] - [ 0.0011242400000000, -0.0003146800000000, 0.0003868000000000 ] - [ -0.0002014400000000, 0.0007623000000000, -0.0013532900000000 ] - [ -0.0000707500000000, -0.0001022300000000, 0.0001914700000000 ] - [ 0.0012383000000000, 0.0003212900000000, 0.0003957700000000 ] - [ -0.0093099200000000, 0.0024128800000000, -0.0023760600000000 ] - [ 0.0001643200000000, -0.0003558600000000, 0.0002874800000000 ] - [ 0.0013618500000000, 0.0008460400000000, -0.0000647600000000 ] - [ -0.0010983200000000, 0.0008012500000000, 0.0001532500000000 ] - [ 0.0011841700000000, 0.0003871500000000, 0.0000977100000000 ] - [ -0.0003930900000000, -0.0003585400000000, 0.0019149000000000 ] - [ -0.0029290200000000, -0.0025366100000000, 0.0014678900000000 ] - [ -0.0007600500000000, 0.0000628100000000, -0.0007119900000000 ] - [ -0.0002316600000000, -0.0002724700000000, -0.0000517100000000 ] - [ 0.0012509200000000, 0.0008111700000000, -0.0019311600000000 ] - [ 0.0009971800000000, -0.0009851200000000, -0.0004624300000000 ] - [ 0.0007031900000000, 0.0003074200000000, -0.0002956000000000 ] - [ -0.0004935000000000, 0.0000311400000000, -0.0002658600000000 ] - [ -0.0002046600000000, 0.0001532800000000, -0.0002913400000000 ] - [ 0.0022347000000000, -0.0013437100000000, 0.0001444500000000 ] - [ -0.0032165400000000, 0.0003133100000000, 0.0102507500000000 ] - [ -0.0003954700000000, 0.0004174300000000, -0.0011927800000000 ] - [ 0.0032441000000000, 0.0017372900000000, -0.0024115100000000 ] - [ -0.0015027300000000, -0.0004235800000000, 0.0002749800000000 ] - [ 0.0005535900000000, 0.0007223900000000, 0.0015257400000000 ] - [ -0.0010058100000000, 0.0001090300000000, -0.0002457600000000 ] - [ -0.0007942300000000, -0.0007498800000000, 0.0000013000000000 ] - [ -0.0004303700000000, -0.0001193400000000, -0.0000462200000000 ] - [ -0.0005287600000000, -0.0000157100000000, 0.0005885400000000 ] - [ -0.0004480000000000, 0.0005456100000000, 0.0003922600000000 ] - [ -0.0006725400000000, -0.0000882300000000, -0.0008715300000000 ] - [ -0.0006185300000000, 0.0000988800000000, 0.0001247000000000 ] - [ -0.0003414300000000, 0.0001479700000000, -0.0001103000000000 ] - [ 0.0003272300000000, 0.0000210900000000, -0.0001331900000000 ] - [ -0.0011578600000000, 0.0003557900000000, 0.0001897200000000 ] - [ 0.0001584400000000, 0.0001680300000000, -0.0002460400000000 ] - [ -0.0011883400000000, -0.0003558500000000, 0.0001769600000000 ] - [ -0.0002153900000000, -0.0008889700000000, -0.0001913400000000 ] - [ 0.0002095400000000, 0.0005939600000000, 0.0008754700000000 ] - [ -0.0002562700000000, 0.0000389700000000, -0.0001571800000000 ] - [ -0.0014642700000000, 0.0001258400000000, -0.0004821200000000 ] - [ -0.0002370800000000, -0.0003715700000000, -0.0000087100000000 ] - [ -0.0004451400000000, -0.0005431700000000, 0.0003917200000000 ] - [ -0.0002034000000000, 0.0004828400000000, 0.0000024300000000 ] - [ -0.0008881900000000, -0.0000341000000000, -0.0004811900000000 ] - [ -0.0007594400000000, -0.0000625600000000, -0.0003882800000000 ] - [ -0.0005305800000000, 0.0001033100000000, -0.0005406000000000 ] - [ -0.0008856300000000, 0.0002181800000000, -0.0001384000000000 ] - [ -0.0004370700000000, 0.0001438300000000, -0.0004872200000000 ] - [ -0.0002264400000000, 0.0003632400000000, 0.0000035300000000 ] - [ -0.0002852200000000, -0.0000340000000000, -0.0001780900000000 ] - [ -0.0005863300000000, 0.0001353500000000, 0.0008088200000000 ] - [ -0.0003611300000000, -0.0006708200000000, 0.0004300200000000 ] - [ -0.0001917600000000, 0.0000840000000000, -0.0002591100000000 ] - [ -0.0005232700000000, -0.0001167500000000, -0.0005688700000000 ] - [ -0.0006109600000000, -0.0000951900000000, 0.0001254000000000 ] - [ -0.0008185200000000, 0.0007540100000000, -0.0000886800000000 ] - [ -0.0001810000000000, -0.0000805400000000, -0.0002466100000000 ] - [ -0.0007184200000000, 0.0001184200000000, 0.0006655100000000 ] - [ -0.0005799500000000, -0.0005567400000000, 0.0002339400000000 ] - [ -0.0008228800000000, -0.0000550400000000, -0.0003649900000000 ] - [ -0.0000637800000000, -0.0001700700000000, -0.0002391100000000 ] - [ -0.0002208500000000, -0.0004954200000000, 0.0000088600000000 ] - [ -0.0007444800000000, -0.0001085000000000, 0.0006892000000000 ] - [ -0.0005857000000000, 0.0005619200000000, 0.0002506800000000 ] - [ -0.0005406500000000, 0.0000350200000000, -0.0001215700000000 ] - [ -0.0003555900000000, 0.0002498700000000, -0.0000897700000000 ] - [ -0.0004408100000000, -0.0001434100000000, -0.0004809700000000 ] - [ -0.0003682200000000, 0.0006861900000000, 0.0004053000000000 ] - [ -0.0004639500000000, 0.0001268300000000, -0.0000302200000000 ] - [ -0.0003442900000000, -0.0001493200000000, -0.0001130600000000 ] - [ -0.0008804700000000, -0.0002059200000000, -0.0002714900000000 ] - [ -0.0005267700000000, 0.0000194500000000, 0.0006006200000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010078600000000, -0.0001151800000000, -0.0007252800000000 ] - [ -0.0007132800000000, -0.0002772000000000, 0.0000765800000000 ] - [ -0.0000552700000000, -0.0001684000000000, -0.0001407700000000 ] - [ -0.0005436000000000, 0.0002726000000000, 0.0001572500000000 ] - [ -0.0004091000000000, 0.0001257700000000, -0.0003298600000000 ] - [ -0.0007612200000000, -0.0003078700000000, -0.0000011500000000 ] - [ -0.0003250400000000, -0.0001220300000000, -0.0002822100000000 ] - [ -0.0005157600000000, 0.0002630100000000, 0.0002192300000000 ] - [ 0.0012121300000000, 0.0004573600000000, -0.0010232100000000 ] - [ -0.0019868600000000, 0.0005981400000000, 0.0023363900000000 ] - [ -0.0013755800000000, 0.0003298400000000, 0.0001021300000000 ] - [ -0.0011785700000000, -0.0002960600000000, 0.0000784800000000 ] - [ -0.0010377300000000, 0.0000694300000000, -0.0003469600000000 ] - [ -0.0010200300000000, -0.0000667500000000, -0.0004143000000000 ] - [ -0.0025505800000000, 0.0013684800000000, -0.0024508500000000 ] - [ -0.0005698300000000, 0.0001909700000000, 0.0016943600000000 ] - [ -0.0008375500000000, -0.0001273600000000, 0.0000249000000000 ] - [ -0.0002333400000000, -0.0007363300000000, 0.0002632700000000 ] - [ -0.0002010200000000, 0.0007354100000000, 0.0003486100000000 ] - [ 0.0030730600000000, -0.0030337300000000, 0.0080391500000000 ] - [ -0.0012805400000000, -0.0003081300000000, 0.0006390400000000 ] - [ -0.0089090900000000, -0.0008748700000000, -0.0045904600000000 ] - [ -0.0001074300000000, -0.0007909800000000, -0.0041036300000000 ] - [ 0.0055061700000000, -0.0001354800000000, -0.0007356200000000 ] - [ -0.0006668100000000, 0.0001803600000000, -0.0005544800000000 ] - [ 0.0080972700000000, -0.0043604900000000, -0.0011037400000000 ] - [ 0.0823387900000000, -0.0998478200000000, -0.0673523700000000 ] - [ 0.0027578200000000, -0.0001582800000000, 0.0009953900000000 ] - [ 0.0007674200000000, 0.0002279500000000, 0.0026693000000000 ] - [ 0.0055815500000000, -0.0006930300000000, -0.0025288300000000 ] - [ -0.0009097500000000, 0.0000754500000000, -0.0002417000000000 ] - [ 0.0022585100000000, -0.0001199100000000, 0.0003689800000000 ] - [ -0.0003789300000000, -0.0000827900000000, -0.0002723100000000 ] - [ -0.0019806700000000, -0.0006110500000000, -0.0001028300000000 ] - [ 0.0014861500000000, 0.0007740300000000, 0.0010416100000000 ] - [ -0.0012347700000000, 0.0003451600000000, 0.0007957200000000 ] - [ -0.0009787600000000, -0.0002314300000000, -0.0003736700000000 ] - [ -0.0008957800000000, 0.0002139700000000, -0.0002486900000000 ] - [ -0.0007387100000000, -0.0003355400000000, -0.0002593300000000 ] - [ -0.0012587100000000, -0.0003346900000000, 0.0008187300000000 ] - [ -0.0010492500000000, 0.0001987400000000, 0.0001597600000000 ] - [ -0.0006251600000000, -0.0002449600000000, 0.0003452700000000 ] - [ -0.0009455100000000, 0.0003707300000000, 0.0001670500000000 ] - [ -0.0009273000000000, -0.0003756300000000, 0.0001818700000000 ] - [ -0.0006806100000000, 0.0003393300000000, -0.0002648600000000 ] - [ -0.0006294000000000, 0.0002461100000000, 0.0003441800000000 ] - [ -0.0012612400000000, 0.0001395000000000, 0.0002295300000000 ] - [ -0.0008862300000000, -0.0002067400000000, -0.0002252000000000 ] - [ -0.0000795200000000, 0.0002127300000000, -0.0002492800000000 ] - [ -0.0000706500000000, -0.0003665500000000, -0.0001082400000000 ] - [ -0.0001048400000000, -0.0004495800000000, -0.0011478800000000 ] - [ -0.0063480000000000, 0.0113632600000000, 0.0013209100000000 ] - [ -0.0020312600000000, -0.0082744300000000, 0.0067276800000000 ] - [ 0.0000170600000000, 0.0000448800000000, -0.0004396000000000 ] - [ -0.0864920600000000, 0.0980311900000000, 0.0644226900000000 ] - [ -0.0013265900000000, 0.0010903800000000, -0.0005229800000000 ] - [ 0.0005707400000000, -0.0000459000000000, 0.0000730400000000 ] - [ -0.0021221800000000, 0.0008904600000000, -0.0008484900000000 ] - [ 0.0003615400000000, 0.0001832500000000, -0.0004902200000000 ] - [ 0.0011209400000000, 0.0099896900000000, 0.0052345900000000 ] - [ 0.0006728600000000, -0.0005486700000000, 0.0004403700000000 ] - [ 0.0006383100000000, 0.0005793400000000, 0.0003869500000000 ] - [ 0.0001376700000000, -0.0000268300000000, -0.0009162700000000 ] - [ 0.0003955700000000, -0.0001975700000000, -0.0004454400000000 ] - [ 0.0007754400000000, 0.0016097000000000, 0.0048588800000000 ] - [ -0.0026446200000000, -0.0016087300000000, 0.0011454900000000 ] - [ 0.0001305200000000, 0.0002042000000000, -0.0023262200000000 ] - [ 0.0011049100000000, -0.0000186300000000, 0.0001403600000000 ] - [ -0.0002384600000000, -0.0001796300000000, -0.0004539500000000 ] - [ 0.0007520500000000, 0.0005481000000000, 0.0006813200000000 ] - [ -0.0001603600000000, -0.0000371000000000, -0.0001452600000000 ] - [ -0.0025836100000000, -0.0022561400000000, -0.0039924700000000 ] - [ -0.0007809500000000, 0.0006715800000000, -0.0003824000000000 ] - [ 0.0002672000000000, -0.0008405300000000, 0.0009118200000000 ] - [ 0.0005473900000000, 0.0000535000000000, 0.0001476900000000 ] - [ -0.0011657600000000, -0.0013288500000000, 0.0003404900000000 ] - [ 0.0097924700000000, -0.0025399700000000, 0.0019032900000000 ] - [ 0.0001170200000000, 0.0000685700000000, -0.0009899300000000 ] - [ -0.0014371500000000, -0.0004009300000000, -0.0000613500000000 ] - [ 0.0005234800000000, 0.0001387300000000, -0.0004729400000000 ] - [ -0.0005564900000000, -0.0002066600000000, -0.0005279300000000 ] - [ 0.0000255700000000, 0.0010612800000000, -0.0003862900000000 ] - [ 0.0024918000000000, 0.0015695300000000, -0.0011857500000000 ] - [ -0.0000843500000000, -0.0001161300000000, -0.0002631000000000 ] - [ 0.0006151800000000, 0.0001837700000000, -0.0004707600000000 ] - [ -0.0009841900000000, -0.0016042800000000, 0.0018158200000000 ] - [ -0.0013487000000000, 0.0002768300000000, 0.0019892800000000 ] - [ -0.0010973000000000, 0.0006108800000000, 0.0005696600000000 ] - [ 0.0007048400000000, 0.0000161600000000, 0.0001428100000000 ] - [ 0.0005886800000000, -0.0000650100000000, -0.0002334500000000 ] - [ -0.0019029000000000, 0.0006797200000000, -0.0007393300000000 ] - [ 0.0033299700000000, 0.0006693700000000, -0.0095983400000000 ] - [ 0.0000673700000000, -0.0001799000000000, 0.0011476200000000 ] - [ -0.0033684000000000, -0.0018432700000000, 0.0020852600000000 ] - [ 0.0008190400000000, 0.0004508600000000, -0.0008212200000000 ] - [ -0.0010279400000000, -0.0004532000000000, -0.0003789700000000 ] - [ -0.0000406100000000, 0.0001599800000000, -0.0004477200000000 ] - [ 0.0002222100000000, -0.0001889300000000, -0.0003218600000000 ] - [ 0.0000992200000000, -0.0001150200000000, 0.0000037900000000 ] - [ 0.0000524100000000, -0.0002559200000000, 0.0005576900000000 ] - [ 0.0007236400000000, -0.0001037900000000, 0.0000218300000000 ] - [ -0.0001717100000000, 0.0001413100000000, -0.0001050700000000 ] - [ 0.0005340000000000, -0.0005402700000000, -0.0002487400000000 ] - [ 0.0002094900000000, -0.0000253500000000, -0.0002044700000000 ] - [ 0.0001522400000000, 0.0000276300000000, 0.0004682500000000 ] - [ 0.0000968000000000, 0.0000206200000000, 0.0005136900000000 ] - [ -0.0002522500000000, -0.0000512400000000, -0.0007257700000000 ] - [ 0.0001274800000000, -0.0000196700000000, 0.0005266000000000 ] - [ 0.0008778700000000, -0.0004130100000000, 0.0010040200000000 ] - [ 0.0004551900000000, 0.0007101800000000, -0.0000618800000000 ] - [ 0.0003207200000000, 0.0000477900000000, -0.0002751300000000 ] - [ 0.0013634000000000, -0.0002476900000000, -0.0004871400000000 ] - [ 0.0005694500000000, 0.0000115200000000, 0.0000180500000000 ] - [ 0.0007208900000000, 0.0001018200000000, 0.0000225800000000 ] - [ 0.0004625600000000, 0.0003202800000000, -0.0001148600000000 ] - [ 0.0010932500000000, -0.0000119700000000, 0.0003578100000000 ] - [ -0.0002862700000000, -0.0002056300000000, -0.0003067000000000 ] - [ 0.0008085400000000, 0.0001828200000000, -0.0001671500000000 ] - [ 0.0002069700000000, -0.0002469200000000, -0.0004102400000000 ] - [ 0.0007644100000000, 0.0005197900000000, -0.0001066700000000 ] - [ 0.0005586400000000, -0.0000023800000000, 0.0000059300000000 ] - [ 0.0003492700000000, -0.0000520700000000, -0.0002534300000000 ] - [ 0.0010641300000000, -0.0001847300000000, -0.0004671800000000 ] - [ 0.0004237500000000, -0.0003452600000000, 0.0002944800000000 ] - [ 0.0008126900000000, -0.0002609700000000, -0.0001720400000000 ] - [ 0.0008004800000000, -0.0001690000000000, -0.0001392100000000 ] - [ 0.0005269600000000, 0.0005369800000000, -0.0002500300000000 ] - [ 0.0002457300000000, 0.0001855000000000, -0.0002321600000000 ] - [ 0.0008023600000000, 0.0002581400000000, -0.0001845200000000 ] - [ 0.0003487500000000, 0.0005793000000000, 0.0008588900000000 ] - [ 0.0001807900000000, -0.0003617300000000, 0.0000433800000000 ] - [ -0.0000218900000000, 0.0000011600000000, -0.0006087600000000 ] - [ 0.0004482900000000, 0.0000818700000000, -0.0002849100000000 ] - [ 0.0004798500000000, -0.0003074800000000, -0.0001211600000000 ] - [ 0.0003744600000000, -0.0005885200000000, 0.0008350800000000 ] - [ 0.0001863900000000, 0.0003568900000000, 0.0000265500000000 ] - [ 0.0007514300000000, 0.0000124600000000, -0.0000014000000000 ] - [ 0.0007389300000000, -0.0001609100000000, -0.0004336700000000 ] - [ 0.0007684100000000, -0.0005199200000000, -0.0001124000000000 ] - [ 0.0004307700000000, 0.0003303700000000, 0.0003188200000000 ] - [ 0.0001320600000000, 0.0001083900000000, -0.0000123200000000 ] - [ 0.0002123600000000, 0.0000271900000000, -0.0002014200000000 ] - [ 0.0002014100000000, 0.0002347000000000, -0.0002775900000000 ] - [ 0.0000508000000000, 0.0002526400000000, 0.0005456900000000 ]- atom: 55 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0001776900000000, 0.0001878500000000, -0.0000065800000000 ] - [ -0.0001534800000000, -0.0002411500000000, 0.0002857700000000 ] - [ 0.0002590400000000, -0.0000857200000000, -0.0004940100000000 ] - [ -0.0001824700000000, 0.0002518500000000, 0.0001107300000000 ] - [ 0.0002665200000000, 0.0001124800000000, -0.0002430100000000 ] - [ -0.0000327300000000, -0.0002224500000000, 0.0003859200000000 ] - [ 0.0001353200000000, -0.0001188600000000, -0.0003500600000000 ] - [ -0.0003045300000000, 0.0002739500000000, 0.0000057600000000 ] - [ -0.0002167300000000, -0.0002020600000000, -0.0015855200000000 ] - [ 0.0022591500000000, -0.0002882600000000, 0.0004404400000000 ] - [ 0.0007602900000000, 0.0002053500000000, 0.0001407200000000 ] - [ 0.0005213600000000, -0.0002280300000000, 0.0000693900000000 ] - [ 0.0008647300000000, 0.0002020500000000, -0.0003886500000000 ] - [ 0.0007636700000000, -0.0002069400000000, -0.0002727000000000 ] - [ 0.0013674100000000, -0.0006794700000000, 0.0035075500000000 ] - [ 0.0007656000000000, -0.0008652700000000, -0.0024553600000000 ] - [ 0.0006083400000000, 0.0000076000000000, -0.0001051600000000 ] - [ 0.0011366500000000, -0.0008423400000000, 0.0005382000000000 ] - [ 0.0011674300000000, 0.0008611900000000, 0.0004230700000000 ] - [ 0.0020137900000000, -0.0020607400000000, -0.0075340100000000 ] - [ 0.0018309200000000, 0.0001645700000000, -0.0002246800000000 ] - [ 0.0072229600000000, -0.0033410400000000, 0.0147215300000000 ] - [ -0.0015480000000000, -0.0011194600000000, 0.0001904800000000 ] - [ -0.0109127700000000, 0.0001980100000000, 0.0035735300000000 ] - [ 0.0007510200000000, 0.0000265800000000, -0.0003316100000000 ] - [ 0.0051399500000000, 0.0057236800000000, -0.0080025400000000 ] - [ -0.0741847300000000, 0.0673103400000000, 0.0967596200000000 ] - [ -0.0029248300000000, 0.0002389800000000, -0.0053935400000000 ] - [ 0.0017434900000000, -0.0001486800000000, -0.0013746300000000 ] - [ -0.0045325000000000, 0.0026673100000000, -0.0026399700000000 ] - [ 0.0004221900000000, 0.0000428700000000, 0.0000787800000000 ] - [ 0.0000971900000000, 0.0002604500000000, -0.0054317400000000 ] - [ -0.0003492500000000, -0.0000808000000000, 0.0000242100000000 ] - [ 0.0039224100000000, -0.0004385100000000, 0.0021461600000000 ] - [ -0.0015313700000000, 0.0007362500000000, -0.0017590900000000 ] - [ 0.0002863700000000, 0.0007089200000000, 0.0008493900000000 ] - [ 0.0011644900000000, 0.0001352500000000, 0.0002116300000000 ] - [ 0.0006360600000000, 0.0000043100000000, -0.0002035100000000 ] - [ 0.0008199100000000, 0.0000851300000000, 0.0000227600000000 ] - [ 0.0003298700000000, -0.0007317600000000, 0.0008481300000000 ] - [ 0.0014730400000000, -0.0000763200000000, -0.0005370000000000 ] - [ 0.0009440700000000, -0.0002030600000000, 0.0000914500000000 ] - [ 0.0006399900000000, 0.0003325600000000, -0.0001262700000000 ] - [ 0.0006282800000000, -0.0003243600000000, -0.0001611100000000 ] - [ 0.0007012900000000, -0.0000727700000000, -0.0000232100000000 ] - [ 0.0009554800000000, 0.0002012600000000, 0.0000947600000000 ] - [ 0.0012042800000000, -0.0000363800000000, -0.0001112800000000 ] - [ 0.0006404300000000, -0.0000080500000000, -0.0002593900000000 ] - [ -0.0007036400000000, 0.0000951900000000, -0.0004146400000000 ] - [ -0.0004617500000000, -0.0005767700000000, 0.0000259100000000 ] - [ -0.0005538300000000, -0.0000911000000000, 0.0002684200000000 ] - [ -0.0095645400000000, 0.0064016300000000, 0.0160991100000000 ] - [ 0.0025275700000000, -0.0063627500000000, 0.0028257400000000 ] - [ -0.0007157500000000, 0.0000012800000000, -0.0005643900000000 ] - [ 0.0763349000000000, -0.0635133600000000, -0.1121081300000000 ] - [ 0.0000371000000000, -0.0033208700000000, 0.0038914500000000 ] - [ 0.0000058600000000, 0.0000775000000000, 0.0002449100000000 ] - [ 0.0017395600000000, -0.0011933000000000, 0.0028172300000000 ] - [ -0.0003143200000000, -0.0000196700000000, -0.0004515700000000 ] - [ -0.0036045300000000, -0.0052822600000000, -0.0082956700000000 ] - [ 0.0001195400000000, -0.0007331800000000, 0.0003500000000000 ] - [ 0.0001454200000000, 0.0006818400000000, 0.0004492600000000 ] - [ -0.0004435100000000, 0.0001889000000000, 0.0005698300000000 ] - [ -0.0003048100000000, 0.0000271300000000, -0.0005457600000000 ] - [ 0.0060159000000000, -0.0027973200000000, -0.0007386300000000 ] - [ 0.0020997200000000, 0.0008293000000000, 0.0004587700000000 ] - [ -0.0017907000000000, 0.0025598100000000, 0.0022558400000000 ] - [ -0.0006031600000000, -0.0000366600000000, -0.0003206800000000 ] - [ -0.0007779800000000, -0.0000932800000000, -0.0002632900000000 ] - [ 0.0004557000000000, 0.0001389300000000, -0.0003946800000000 ] - [ -0.0005131900000000, 0.0000757900000000, -0.0001153600000000 ] - [ -0.0012731000000000, -0.0014254600000000, -0.0016776400000000 ] - [ -0.0006012700000000, 0.0000422500000000, 0.0033570700000000 ] - [ 0.0002415600000000, 0.0003379500000000, -0.0011656400000000 ] - [ 0.0000785700000000, -0.0000618300000000, 0.0001671900000000 ] - [ 0.0023698900000000, 0.0008281500000000, 0.0018357600000000 ] - [ -0.0025319900000000, 0.0004577100000000, -0.0021452500000000 ] - [ -0.0006730200000000, -0.0001809200000000, -0.0003121100000000 ] - [ 0.0006363500000000, 0.0002425500000000, 0.0013930000000000 ] - [ -0.0008323100000000, 0.0007047400000000, -0.0001508800000000 ] - [ 0.0002588400000000, -0.0001374700000000, 0.0007168800000000 ] - [ -0.0015999300000000, -0.0003260300000000, 0.0022142300000000 ] - [ -0.0038283900000000, 0.0016063000000000, -0.0009946400000000 ] - [ -0.0006036900000000, 0.0000103400000000, -0.0005738700000000 ] - [ -0.0001427500000000, -0.0001996900000000, -0.0001317100000000 ] - [ 0.0023919000000000, 0.0015043100000000, -0.0028609300000000 ] - [ 0.0028795100000000, -0.0018997700000000, -0.0001139300000000 ] - [ -0.0005288400000000, 0.0011593500000000, 0.0015448000000000 ] - [ -0.0001958600000000, 0.0000117400000000, -0.0000685700000000 ] - [ 0.0000347900000000, 0.0000966000000000, -0.0002736400000000 ] - [ 0.0022378500000000, -0.0017352000000000, 0.0012357800000000 ] - [ -0.0019361700000000, 0.0015011700000000, 0.0045441500000000 ] - [ 0.0001929400000000, 0.0002023800000000, 0.0002420300000000 ] - [ 0.0020505500000000, 0.0003895300000000, -0.0009012200000000 ] - [ -0.0009161700000000, -0.0001899100000000, -0.0002603900000000 ] - [ 0.0009878700000000, 0.0017829700000000, 0.0034187300000000 ] - [ -0.0009308800000000, 0.0000933600000000, -0.0002856700000000 ] - [ -0.0006304000000000, -0.0006636800000000, -0.0000126800000000 ] - [ -0.0003055400000000, -0.0001125000000000, -0.0000370700000000 ] - [ -0.0004153400000000, -0.0000609900000000, 0.0005769600000000 ] - [ -0.0002232300000000, 0.0004219700000000, 0.0003199500000000 ] - [ -0.0003469400000000, -0.0000762000000000, -0.0008469300000000 ] - [ -0.0003942700000000, -0.0000264500000000, 0.0000483200000000 ] - [ -0.0002342800000000, 0.0001135700000000, -0.0001251100000000 ] - [ 0.0006355400000000, -0.0001549900000000, 0.0000018900000000 ] - [ -0.0009108600000000, 0.0002914100000000, 0.0002610100000000 ] - [ 0.0005858000000000, 0.0004632500000000, 0.0002040000000000 ] - [ -0.0009389900000000, -0.0002905800000000, 0.0002357300000000 ] - [ -0.0001678300000000, -0.0011004600000000, -0.0006476200000000 ] - [ 0.0004461600000000, 0.0002824900000000, 0.0015505400000000 ] - [ -0.0001369100000000, 0.0000433400000000, -0.0001473100000000 ] - [ -0.0012628100000000, 0.0003835400000000, -0.0009041500000000 ] - [ -0.0000876200000000, -0.0003066300000000, -0.0000173700000000 ] - [ -0.0002188700000000, -0.0004171400000000, 0.0003222300000000 ] - [ -0.0000719700000000, 0.0004509500000000, -0.0000120700000000 ] - [ -0.0006290100000000, -0.0000262300000000, -0.0004491500000000 ] - [ -0.0005326800000000, -0.0001197200000000, -0.0003835800000000 ] - [ -0.0003036200000000, 0.0001109100000000, -0.0004730700000000 ] - [ -0.0007144900000000, 0.0001501400000000, -0.0001176900000000 ] - [ -0.0001973100000000, 0.0002161200000000, -0.0004161100000000 ] - [ -0.0000676000000000, 0.0002826900000000, 0.0000187500000000 ] - [ -0.0001693700000000, -0.0000348600000000, -0.0002231300000000 ] - [ -0.0005354000000000, -0.0000064600000000, 0.0005029900000000 ] - [ -0.0002142100000000, -0.0006090000000000, 0.0004070500000000 ] - [ 0.0000045000000000, 0.0000161200000000, -0.0002530300000000 ] - [ -0.0002372200000000, -0.0001355100000000, -0.0004834100000000 ] - [ -0.0003916700000000, 0.0000255500000000, 0.0000570600000000 ] - [ -0.0005992200000000, 0.0006322300000000, -0.0001711500000000 ] - [ 0.0000069700000000, -0.0000166000000000, -0.0002225000000000 ] - [ -0.0004928200000000, 0.0002122600000000, 0.0007057300000000 ] - [ -0.0004237300000000, -0.0005129300000000, 0.0001859400000000 ] - [ -0.0009038600000000, -0.0000457700000000, -0.0003555500000000 ] - [ 0.0001969400000000, -0.0000560900000000, -0.0003004000000000 ] - [ -0.0000877900000000, -0.0004594300000000, -0.0000241000000000 ] - [ -0.0005469000000000, -0.0001959400000000, 0.0007148800000000 ] - [ -0.0004462900000000, 0.0005288900000000, 0.0002182200000000 ] - [ -0.0003186800000000, 0.0000183800000000, 0.0000465500000000 ] - [ -0.0002787100000000, 0.0002255800000000, -0.0001203100000000 ] - [ -0.0002149900000000, -0.0002165800000000, -0.0004076800000000 ] - [ -0.0002091700000000, 0.0006168000000000, 0.0003844900000000 ] - [ -0.0003701500000000, 0.0001294200000000, -0.0000279000000000 ] - [ -0.0002370700000000, -0.0001160600000000, -0.0001337900000000 ] - [ -0.0006352100000000, -0.0001085400000000, -0.0003485500000000 ] - [ -0.0004159800000000, 0.0000655400000000, 0.0005966000000000 ]- atom: 55 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0002101900000000, 0.0000480800000000, -0.0005912900000000 ] - [ -0.0005320300000000, -0.0002775000000000, 0.0000468300000000 ] - [ -0.0002862600000000, -0.0001517000000000, -0.0001038000000000 ] - [ -0.0005024600000000, 0.0002660700000000, 0.0002212700000000 ] - [ -0.0002955400000000, 0.0001241100000000, -0.0003545200000000 ] - [ -0.0006515600000000, -0.0002960800000000, -0.0000529800000000 ] - [ -0.0001647800000000, -0.0001184900000000, -0.0002476700000000 ] - [ -0.0003815600000000, 0.0002441000000000, 0.0003260800000000 ] - [ 0.0004421600000000, 0.0005050600000000, 0.0008751300000000 ] - [ -0.0020399200000000, -0.0000123800000000, -0.0011223000000000 ] - [ -0.0009455400000000, 0.0003037600000000, 0.0000594700000000 ] - [ -0.0007071100000000, -0.0002808400000000, 0.0001300400000000 ] - [ -0.0006442500000000, 0.0001015900000000, -0.0003106600000000 ] - [ -0.0005427400000000, -0.0000968100000000, -0.0004262200000000 ] - [ -0.0015383300000000, 0.0011828400000000, -0.0032845500000000 ] - [ -0.0009571100000000, 0.0003514600000000, 0.0026472100000000 ] - [ -0.0006305200000000, -0.0001082300000000, 0.0000088800000000 ] - [ 0.0001239900000000, -0.0007737800000000, 0.0002900800000000 ] - [ 0.0000931400000000, 0.0007550400000000, 0.0004051600000000 ] - [ -0.0026379300000000, 0.0032959800000000, 0.0091967500000000 ] - [ -0.0009991800000000, -0.0002145700000000, -0.0001023200000000 ] - [ -0.0071975400000000, 0.0035749000000000, -0.0150656700000000 ] - [ 0.0019387300000000, 0.0009537700000000, -0.0004103000000000 ] - [ 0.0103071300000000, -0.0013511200000000, -0.0018704600000000 ] - [ 0.0000777100000000, 0.0000238100000000, -0.0000020500000000 ] - [ -0.0044301400000000, -0.0060358600000000, 0.0083976100000000 ] - [ 0.0773829800000000, -0.0693264300000000, -0.0985989200000000 ] - [ 0.0029783200000000, -0.0009211600000000, 0.0053251200000000 ] - [ -0.0013288100000000, 0.0003057800000000, 0.0011857900000000 ] - [ 0.0052414000000000, -0.0022373300000000, 0.0029856200000000 ] - [ -0.0004456900000000, 0.0000578000000000, -0.0001753800000000 ] - [ 0.0000277800000000, -0.0004257300000000, 0.0049299300000000 ] - [ 0.0003228900000000, -0.0000202400000000, -0.0001186700000000 ] - [ -0.0026571800000000, -0.0011778200000000, -0.0013231300000000 ] - [ 0.0027767500000000, 0.0008805800000000, 0.0025822300000000 ] - [ -0.0008557600000000, 0.0004414000000000, 0.0008162300000000 ] - [ -0.0003339000000000, -0.0001848200000000, -0.0005398700000000 ] - [ -0.0005271400000000, 0.0001642200000000, -0.0002633600000000 ] - [ -0.0004199700000000, -0.0002455000000000, -0.0002245200000000 ] - [ -0.0008993200000000, -0.0004186700000000, 0.0008175100000000 ] - [ -0.0006436700000000, 0.0001262100000000, 0.0002047100000000 ] - [ -0.0002486100000000, -0.0002349300000000, 0.0002867200000000 ] - [ -0.0005701000000000, 0.0003589600000000, 0.0000821800000000 ] - [ -0.0005583800000000, -0.0003673100000000, 0.0001173300000000 ] - [ -0.0003013400000000, 0.0002326200000000, -0.0001777400000000 ] - [ -0.0002600400000000, 0.0002366200000000, 0.0002830900000000 ] - [ -0.0012254200000000, 0.0001372300000000, 0.0000115500000000 ] - [ -0.0005315700000000, -0.0001607600000000, -0.0002077000000000 ] - [ -0.0003398400000000, 0.0001740000000000, -0.0002791600000000 ] - [ -0.0001081000000000, -0.0003610200000000, -0.0003457100000000 ] - [ 0.0002216600000000, -0.0001460900000000, -0.0003155500000000 ] - [ 0.0093614000000000, -0.0068012800000000, -0.0152955900000000 ] - [ -0.0022185500000000, 0.0067518200000000, -0.0024524500000000 ] - [ -0.0001275900000000, 0.0000524600000000, -0.0004104000000000 ] - [ -0.0796739800000000, 0.0657742200000000, 0.1138940700000000 ] - [ -0.0001587800000000, 0.0033705900000000, -0.0041544400000000 ] - [ 0.0004719300000000, -0.0000286800000000, 0.0000938500000000 ] - [ -0.0027843000000000, 0.0015612000000000, -0.0021027600000000 ] - [ 0.0002188200000000, 0.0001356100000000, -0.0005212900000000 ] - [ 0.0024931400000000, 0.0049661900000000, 0.0090337000000000 ] - [ 0.0005450800000000, -0.0005716200000000, 0.0004612500000000 ] - [ 0.0005192700000000, 0.0006227200000000, 0.0003622900000000 ] - [ 0.0005059300000000, -0.0001015900000000, -0.0010007600000000 ] - [ 0.0002095700000000, -0.0001432700000000, -0.0004274100000000 ] - [ -0.0057232400000000, 0.0024258000000000, 0.0007425600000000 ] - [ -0.0018257700000000, -0.0012726000000000, -0.0000360700000000 ] - [ 0.0020684800000000, -0.0017741500000000, -0.0023658100000000 ] - [ 0.0008148300000000, -0.0000101800000000, 0.0001975000000000 ] - [ -0.0002666300000000, -0.0001757900000000, -0.0004310500000000 ] - [ -0.0001722100000000, 0.0001479100000000, -0.0003085400000000 ] - [ -0.0001637300000000, -0.0001053200000000, -0.0004323900000000 ] - [ 0.0015804600000000, 0.0020525200000000, 0.0010309700000000 ] - [ 0.0009182700000000, 0.0003247700000000, -0.0033210100000000 ] - [ -0.0001742600000000, -0.0004271000000000, 0.0007357700000000 ] - [ 0.0003994000000000, 0.0000132200000000, 0.0001717400000000 ] - [ -0.0022936600000000, -0.0018279000000000, -0.0010951000000000 ] - [ 0.0031782500000000, -0.0006424500000000, 0.0017213000000000 ] - [ 0.0009475200000000, -0.0001031100000000, -0.0003985800000000 ] - [ -0.0007196400000000, 0.0001982500000000, -0.0015108900000000 ] - [ 0.0002633400000000, 0.0002323500000000, -0.0001717200000000 ] - [ 0.0003580000000000, 0.0003112200000000, -0.0011428000000000 ] - [ 0.0012433900000000, 0.0010186900000000, -0.0006880000000000 ] - [ 0.0033926300000000, -0.0025169700000000, 0.0012508100000000 ] - [ -0.0002394600000000, -0.0000643800000000, -0.0004000500000000 ] - [ 0.0005284000000000, 0.0001123700000000, -0.0003919900000000 ] - [ -0.0021136200000000, -0.0022854900000000, 0.0027237100000000 ] - [ -0.0032277700000000, 0.0011881100000000, 0.0016355900000000 ] - [ 0.0001231200000000, -0.0002349900000000, -0.0012550100000000 ] - [ 0.0004085500000000, 0.0000352000000000, -0.0000534200000000 ] - [ 0.0003515200000000, -0.0000093500000000, -0.0002503700000000 ] - [ -0.0019040300000000, 0.0010679300000000, -0.0018176800000000 ] - [ 0.0020082100000000, -0.0005210100000000, -0.0037776700000000 ] - [ -0.0005216000000000, 0.0000323500000000, -0.0002781800000000 ] - [ -0.0021643800000000, -0.0004933700000000, 0.0006089600000000 ] - [ 0.0002415600000000, 0.0002210200000000, -0.0002911600000000 ] - [ -0.0014550900000000, -0.0015009400000000, -0.0022614700000000 ] - [ -0.0001138700000000, 0.0001761400000000, -0.0004074300000000 ] - [ 0.0000614900000000, -0.0002734600000000, -0.0003084100000000 ] - [ -0.0000244200000000, -0.0001223100000000, -0.0000055100000000 ] - [ -0.0000595600000000, -0.0002117300000000, 0.0005700100000000 ] - [ 0.0005007000000000, 0.0000185800000000, 0.0000942100000000 ] - [ -0.0004956200000000, 0.0001293100000000, -0.0001296800000000 ] - [ 0.0003129000000000, -0.0004168600000000, -0.0001734100000000 ] - [ 0.0001035900000000, 0.0000086100000000, -0.0001902200000000 ] - [ -0.0001540300000000, 0.0002023600000000, 0.0003320400000000 ] - [ -0.0001475400000000, 0.0000843200000000, 0.0004431800000000 ] - [ -0.0006763500000000, -0.0003456000000000, -0.0011754800000000 ] - [ -0.0001190100000000, -0.0000847700000000, 0.0004686400000000 ] - [ 0.0008304700000000, -0.0002013900000000, 0.0014572800000000 ] - [ 0.0002200900000000, 0.0010208200000000, -0.0007354600000000 ] - [ 0.0002025900000000, 0.0000434000000000, -0.0002845200000000 ] - [ 0.0011620700000000, -0.0005031400000000, -0.0000670800000000 ] - [ 0.0004219000000000, -0.0000525300000000, 0.0000271600000000 ] - [ 0.0004965900000000, -0.0000234200000000, 0.0000919600000000 ] - [ 0.0003328900000000, 0.0003514200000000, -0.0001001200000000 ] - [ 0.0008380800000000, -0.0000202500000000, 0.0003259900000000 ] - [ -0.0005107900000000, -0.0001493500000000, -0.0003113300000000 ] - [ 0.0005844700000000, 0.0001746300000000, -0.0002338300000000 ] - [ 0.0000388300000000, -0.0001804900000000, -0.0004315100000000 ] - [ 0.0005274000000000, 0.0004482500000000, -0.0001768800000000 ] - [ 0.0004017200000000, 0.0000767200000000, -0.0000088200000000 ] - [ 0.0002345900000000, -0.0000517100000000, -0.0002079900000000 ] - [ 0.0010104600000000, -0.0000407500000000, -0.0001598100000000 ] - [ 0.0002784300000000, -0.0004070600000000, 0.0003166900000000 ] - [ 0.0006186000000000, -0.0001940000000000, -0.0001773500000000 ] - [ 0.0005173900000000, -0.0001502300000000, -0.0002238300000000 ] - [ 0.0003107600000000, 0.0004176100000000, -0.0001826800000000 ] - [ 0.0000296300000000, 0.0003050100000000, -0.0001503800000000 ] - [ 0.0006165600000000, 0.0001946100000000, -0.0002078300000000 ] - [ 0.0001253100000000, 0.0004858900000000, 0.0008189300000000 ] - [ 0.0000260800000000, -0.0004052600000000, 0.0000905400000000 ] - [ 0.0000615100000000, -0.0000087300000000, -0.0006168400000000 ] - [ 0.0001900800000000, -0.0000310500000000, -0.0002239600000000 ] - [ 0.0003486900000000, -0.0003431400000000, -0.0000880900000000 ] - [ 0.0001793000000000, -0.0005023500000000, 0.0008093600000000 ] - [ 0.0000484400000000, 0.0003891200000000, 0.0000582100000000 ] - [ 0.0005329700000000, 0.0000288900000000, -0.0001681300000000 ] - [ 0.0006638100000000, -0.0001383000000000, -0.0004032300000000 ] - [ 0.0005453100000000, -0.0004480400000000, -0.0001848000000000 ] - [ 0.0002734500000000, 0.0003990900000000, 0.0003390700000000 ] - [ 0.0000393600000000, 0.0001057700000000, -0.0000147800000000 ] - [ 0.0001064200000000, -0.0000061300000000, -0.0001812300000000 ] - [ -0.0000410500000000, 0.0001385600000000, -0.0002011300000000 ] - [ -0.0000585500000000, 0.0002071200000000, 0.0005503800000000 ]- atom: 56 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0000487500000000, 0.0001371300000000, -0.0003135800000000 ] - [ -0.0005458200000000, -0.0002753600000000, 0.0000866000000000 ] - [ -0.0006398000000000, -0.0001188800000000, -0.0002520400000000 ] - [ -0.0006356800000000, 0.0002753300000000, 0.0001644800000000 ] - [ -0.0003013500000000, 0.0001219500000000, -0.0002900900000000 ] - [ -0.0005400300000000, -0.0002701700000000, 0.0001800400000000 ] - [ -0.0003432100000000, -0.0001241000000000, -0.0003196000000000 ] - [ -0.0006460500000000, 0.0002850000000000, 0.0000647800000000 ] - [ -0.0007853900000000, 0.0002304100000000, 0.0014806500000000 ] - [ -0.0003022400000000, 0.0002300200000000, -0.0018920400000000 ] - [ -0.0011477100000000, 0.0003028100000000, 0.0000566200000000 ] - [ -0.0011049600000000, -0.0003099700000000, 0.0001273500000000 ] - [ -0.0008725700000000, 0.0000786900000000, -0.0003932800000000 ] - [ -0.0008952800000000, -0.0000792000000000, -0.0003592500000000 ] - [ -0.0008853600000000, 0.0000688100000000, 0.0009681000000000 ] - [ -0.0011895600000000, -0.0004960200000000, -0.0008701800000000 ] - [ -0.0008613300000000, -0.0001067400000000, -0.0001201900000000 ] - [ -0.0000860300000000, -0.0007510600000000, 0.0003070200000000 ] - [ -0.0001326400000000, 0.0007400600000000, 0.0003337900000000 ] - [ 0.0014781400000000, 0.0010807700000000, -0.0005563000000000 ] - [ -0.0010635400000000, -0.0002780400000000, -0.0005182500000000 ] - [ 0.0039728300000000, -0.0014938200000000, -0.0010623500000000 ] - [ 0.0011169600000000, -0.0001476100000000, 0.0011171400000000 ] - [ -0.0023423300000000, 0.0018636400000000, 0.0051564600000000 ] - [ -0.0006460400000000, 0.0001183800000000, 0.0003462800000000 ] - [ 0.0342048500000000, -0.0065412300000000, 0.0060222100000000 ] - [ 0.0016539400000000, -0.0009155000000000, 0.0012697300000000 ] - [ 0.0044397900000000, 0.0026897900000000, -0.0066006800000000 ] - [ -0.0032615100000000, 0.0001948200000000, -0.0028551200000000 ] - [ 0.0048014600000000, 0.0001213300000000, 0.0001620500000000 ] - [ -0.0006707200000000, 0.0000938400000000, -0.0000797600000000 ] - [ 0.0066903300000000, 0.0034113500000000, 0.0080416700000000 ] - [ -0.0009835100000000, -0.0000835600000000, 0.0000140300000000 ] - [ 0.0006213400000000, -0.0007044600000000, 0.0007080900000000 ] - [ -0.0015266300000000, 0.0001998300000000, -0.0002776800000000 ] - [ -0.0011152500000000, 0.0003763600000000, 0.0008174800000000 ] - [ -0.0008725400000000, -0.0001850800000000, 0.0000102100000000 ] - [ -0.0007700400000000, 0.0001946900000000, -0.0002306400000000 ] - [ -0.0005770200000000, -0.0003054600000000, -0.0002386000000000 ] - [ -0.0011351200000000, -0.0003641100000000, 0.0008030200000000 ] - [ -0.0007935500000000, 0.0001927600000000, -0.0002276400000000 ] - [ -0.0005082000000000, -0.0002406600000000, 0.0003264900000000 ] - [ -0.0008107700000000, 0.0003679700000000, 0.0001442700000000 ] - [ -0.0008156100000000, -0.0003699800000000, 0.0001550900000000 ] - [ -0.0006113700000000, 0.0003044400000000, -0.0002444800000000 ] - [ -0.0004981100000000, 0.0002412100000000, 0.0003240200000000 ] - [ -0.0005093100000000, 0.0000878000000000, -0.0001525400000000 ] - [ -0.0007711700000000, -0.0001965700000000, -0.0002414800000000 ] - [ -0.0002849700000000, 0.0001827900000000, -0.0003678800000000 ] - [ 0.0002542700000000, -0.0001802800000000, -0.0004437500000000 ] - [ 0.0006070100000000, 0.0004989300000000, 0.0008086600000000 ] - [ -0.0008913000000000, 0.0006998900000000, 0.0000057200000000 ] - [ -0.0019595100000000, 0.0068964900000000, -0.0104766200000000 ] - [ -0.0000789300000000, 0.0000970500000000, -0.0003085600000000 ] - [ -0.0019618300000000, 0.0010437700000000, 0.0000205600000000 ] - [ -0.0382971600000000, 0.0156771800000000, -0.0057986300000000 ] - [ 0.0005379000000000, -0.0000494400000000, 0.0001147600000000 ] - [ 0.0006421300000000, -0.0015469800000000, 0.0015425900000000 ] - [ 0.0003391400000000, 0.0001759200000000, -0.0004911300000000 ] - [ -0.0013394500000000, -0.0005431300000000, -0.0002917400000000 ] - [ 0.0006117700000000, -0.0005665600000000, 0.0004311300000000 ] - [ 0.0006177800000000, 0.0005825500000000, 0.0003947700000000 ] - [ 0.0007387200000000, -0.0001420500000000, -0.0005458900000000 ] - [ 0.0003089800000000, -0.0001714100000000, -0.0004506300000000 ] - [ -0.0008261100000000, -0.0003726900000000, 0.0004408000000000 ] - [ -0.0021715100000000, -0.0010357700000000, 0.0014132500000000 ] - [ -0.0001366500000000, 0.0007037700000000, 0.0007023400000000 ] - [ 0.0008226100000000, -0.0000032100000000, 0.0002213700000000 ] - [ -0.0001292000000000, -0.0002023400000000, -0.0003519400000000 ] - [ -0.0000122300000000, 0.0000006200000000, -0.0007322000000000 ] - [ 0.0003010300000000, -0.0002893400000000, -0.0005845100000000 ] - [ -0.0022845100000000, -0.0079166700000000, 0.0100990900000000 ] - [ 0.0013687400000000, -0.0072018100000000, -0.0011707600000000 ] - [ -0.0000540500000000, -0.0000673300000000, -0.0002124100000000 ] - [ 0.0004990400000000, 0.0000325900000000, 0.0001215100000000 ] - [ 0.0032630500000000, -0.0014887800000000, -0.0009449300000000 ] - [ -0.0005037500000000, 0.0008665800000000, 0.0005508800000000 ] - [ 0.0013503900000000, -0.0009168800000000, 0.0007926200000000 ] - [ -0.0054049300000000, -0.0030912800000000, 0.0019722500000000 ] - [ 0.0000653100000000, 0.0002468000000000, -0.0000567800000000 ] - [ 0.0013161900000000, -0.0005780000000000, -0.0040838600000000 ] - [ -0.0004076500000000, 0.0002429500000000, 0.0010786100000000 ] - [ -0.0015989500000000, -0.0010976200000000, 0.0008075300000000 ] - [ -0.0000953800000000, -0.0000534900000000, -0.0004192700000000 ] - [ 0.0006194100000000, 0.0001029800000000, -0.0003181100000000 ] - [ 0.0006946000000000, -0.0000275000000000, -0.0007768600000000 ] - [ 0.0003937400000000, -0.0010176300000000, 0.0001991500000000 ] - [ 0.0010649100000000, -0.0017377700000000, -0.0015227400000000 ] - [ 0.0007938400000000, 0.0000316000000000, 0.0000400200000000 ] - [ 0.0004904900000000, -0.0001018800000000, -0.0003673000000000 ] - [ -0.0018777300000000, 0.0009970200000000, -0.0022025800000000 ] - [ -0.0002415000000000, 0.0004435700000000, 0.0006055600000000 ] - [ -0.0002063900000000, 0.0002971000000000, -0.0006767700000000 ] - [ -0.0011040900000000, -0.0004926100000000, -0.0001925200000000 ] - [ 0.0000105200000000, 0.0001349400000000, -0.0000642900000000 ] - [ 0.0004191100000000, 0.0011732000000000, 0.0011941800000000 ] - [ -0.0002749600000000, 0.0001905600000000, -0.0003397900000000 ] - [ 0.0001643300000000, -0.0002258700000000, -0.0002407400000000 ] - [ 0.0000889000000000, -0.0001103100000000, -0.0000082300000000 ] - [ 0.0000125400000000, -0.0002385100000000, 0.0005554300000000 ] - [ 0.0006515700000000, -0.0000646400000000, 0.0000447700000000 ] - [ -0.0000571000000000, 0.0000416600000000, -0.0004755600000000 ] - [ 0.0004555000000000, -0.0004963500000000, -0.0002232900000000 ] - [ 0.0001765300000000, -0.0000159800000000, -0.0001960100000000 ] - [ 0.0007691600000000, 0.0000592100000000, -0.0000850200000000 ] - [ 0.0000304200000000, 0.0000402500000000, 0.0004944000000000 ] - [ 0.0006801800000000, 0.0003529900000000, -0.0002977700000000 ] - [ 0.0000300100000000, -0.0000415800000000, 0.0005036900000000 ] - [ 0.0004899600000000, -0.0006660600000000, 0.0001750600000000 ] - [ 0.0008055100000000, 0.0004524100000000, 0.0008028400000000 ] - [ 0.0003015400000000, 0.0000503400000000, -0.0002494200000000 ] - [ 0.0000493400000000, -0.0000792500000000, -0.0006009400000000 ] - [ 0.0005100100000000, -0.0000199100000000, 0.0000077000000000 ] - [ 0.0006447600000000, 0.0000595600000000, 0.0000454600000000 ] - [ 0.0004270400000000, 0.0003236400000000, -0.0001174400000000 ] - [ 0.0007586600000000, -0.0000172900000000, 0.0000609400000000 ] - [ -0.0001501600000000, -0.0001882000000000, -0.0003865000000000 ] - [ 0.0007131700000000, 0.0001673800000000, -0.0001743500000000 ] - [ 0.0001270700000000, -0.0002062300000000, -0.0003025900000000 ] - [ 0.0006927600000000, 0.0004959800000000, -0.0001342200000000 ] - [ 0.0005163900000000, 0.0000141100000000, 0.0000145100000000 ] - [ 0.0002891900000000, -0.0000478100000000, -0.0002668400000000 ] - [ 0.0003490800000000, 0.0000091100000000, 0.0002414500000000 ] - [ 0.0003812600000000, -0.0003569300000000, 0.0003145000000000 ] - [ 0.0007423000000000, -0.0002370900000000, -0.0001871800000000 ] - [ 0.0007257100000000, -0.0001748400000000, -0.0001825500000000 ] - [ 0.0004584500000000, 0.0004992300000000, -0.0002264400000000 ] - [ 0.0001683100000000, 0.0002200900000000, -0.0002865100000000 ] - [ 0.0007451900000000, 0.0002378700000000, -0.0001799000000000 ] - [ 0.0002793800000000, 0.0005508300000000, 0.0008326000000000 ] - [ 0.0001370900000000, -0.0003704300000000, 0.0000449000000000 ] - [ -0.0001646500000000, -0.0000947000000000, -0.0002667200000000 ] - [ 0.0006209000000000, 0.0001235900000000, -0.0003797000000000 ] - [ 0.0004275900000000, -0.0003261700000000, -0.0001042000000000 ] - [ 0.0003039000000000, -0.0005573700000000, 0.0008420300000000 ] - [ 0.0001320000000000, 0.0003737400000000, 0.0000530700000000 ] - [ 0.0008638400000000, 0.0000117400000000, 0.0002330400000000 ] - [ 0.0004712500000000, -0.0000805100000000, -0.0003128100000000 ] - [ 0.0006860900000000, -0.0004949200000000, -0.0001325700000000 ] - [ 0.0003716500000000, 0.0003616000000000, 0.0003139200000000 ] - [ 0.0000695200000000, 0.0001152300000000, -0.0000035600000000 ] - [ 0.0001741500000000, 0.0000156100000000, -0.0001960000000000 ] - [ 0.0001421200000000, 0.0002180200000000, -0.0003716500000000 ] - [ 0.0000160900000000, 0.0002387900000000, 0.0005515500000000 ]- atom: 56 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0000168000000000, 0.0000991200000000, -0.0002857400000000 ] - [ -0.0001404500000000, -0.0002434900000000, 0.0002452900000000 ] - [ 0.0006135900000000, -0.0001191100000000, -0.0003439900000000 ] - [ -0.0000495300000000, 0.0002427200000000, 0.0001685900000000 ] - [ 0.0002715700000000, 0.0001146500000000, -0.0003073800000000 ] - [ -0.0001453300000000, -0.0002485800000000, 0.0001523600000000 ] - [ 0.0003133300000000, -0.0001133600000000, -0.0002778800000000 ] - [ -0.0000402500000000, 0.0002329700000000, 0.0002673800000000 ] - [ 0.0010163300000000, 0.0000774900000000, -0.0021909500000000 ] - [ 0.0004848900000000, -0.0005248100000000, 0.0011945000000000 ] - [ 0.0009614600000000, 0.0002066200000000, 0.0001437900000000 ] - [ 0.0009206600000000, -0.0001990900000000, 0.0000726800000000 ] - [ 0.0010926400000000, 0.0002249300000000, -0.0003062700000000 ] - [ 0.0011156700000000, -0.0002246700000000, -0.0003402400000000 ] - [ 0.0007078800000000, 0.0004380500000000, -0.0007648300000000 ] - [ 0.0009999400000000, -0.0000149500000000, 0.0010648400000000 ] - [ 0.0008389300000000, 0.0000058100000000, 0.0000247900000000 ] - [ 0.0013458200000000, -0.0008653100000000, 0.0005204700000000 ] - [ 0.0013924800000000, 0.0008759900000000, 0.0004946200000000 ] - [ -0.0020494600000000, 0.0000676000000000, 0.0022020100000000 ] - [ 0.0018905200000000, 0.0002273900000000, 0.0001922000000000 ] - [ -0.0038632800000000, 0.0016664700000000, 0.0005589800000000 ] - [ -0.0007216600000000, -0.0000133000000000, -0.0013415600000000 ] - [ 0.0018064700000000, -0.0030160100000000, -0.0034279400000000 ] - [ 0.0014786900000000, -0.0000688000000000, -0.0006814800000000 ] - [ -0.0333848100000000, 0.0054150900000000, -0.0046562400000000 ] - [ -0.0015608900000000, 0.0015941900000000, -0.0013446200000000 ] - [ -0.0043858800000000, -0.0033908500000000, 0.0065728000000000 ] - [ 0.0036623700000000, -0.0000523600000000, 0.0026807000000000 ] - [ -0.0041097600000000, 0.0003167700000000, 0.0001875700000000 ] - [ 0.0006480800000000, 0.0000065100000000, -0.0000180500000000 ] - [ -0.0065585300000000, -0.0036163200000000, -0.0085188000000000 ] - [ 0.0009604600000000, -0.0000170700000000, -0.0001080000000000 ] - [ 0.0006418700000000, -0.0009113200000000, 0.0001155100000000 ] - [ 0.0027721000000000, 0.0014078000000000, 0.0011060300000000 ] - [ 0.0005455400000000, 0.0007742000000000, 0.0008476800000000 ] - [ 0.0017025100000000, 0.0001347800000000, -0.0003401800000000 ] - [ 0.0008789100000000, -0.0000260500000000, -0.0002360400000000 ] - [ 0.0009768400000000, 0.0001449700000000, 0.0000369400000000 ] - [ 0.0005649700000000, -0.0007866200000000, 0.0008623700000000 ] - [ 0.0016224000000000, -0.0001426600000000, -0.0001037200000000 ] - [ 0.0012029800000000, -0.0001968900000000, 0.0000517100000000 ] - [ 0.0008802200000000, 0.0003228000000000, -0.0001884800000000 ] - [ 0.0008851600000000, -0.0003212400000000, -0.0001988300000000 ] - [ 0.0010114100000000, -0.0001445900000000, 0.0000435400000000 ] - [ 0.0011928900000000, 0.0001960900000000, 0.0000537400000000 ] - [ 0.0004874800000000, 0.0000131000000000, 0.0000543000000000 ] - [ 0.0008801300000000, 0.0000275000000000, -0.0002252100000000 ] - [ -0.0007592400000000, 0.0000866300000000, -0.0003250700000000 ] - [ -0.0008272500000000, -0.0007585400000000, 0.0001235100000000 ] - [ -0.0009450700000000, -0.0007471700000000, -0.0008625300000000 ] - [ 0.0004119900000000, -0.0009749300000000, 0.0011560400000000 ] - [ 0.0021845000000000, -0.0064486600000000, 0.0107606600000000 ] - [ -0.0007644600000000, -0.0000437100000000, -0.0006665700000000 ] - [ 0.0018636900000000, -0.0014799200000000, -0.0001192100000000 ] - [ 0.0381404400000000, -0.0149273700000000, 0.0047121900000000 ] - [ -0.0000605900000000, 0.0000983000000000, 0.0002236100000000 ] - [ -0.0016771600000000, 0.0019093100000000, -0.0008321300000000 ] - [ -0.0004352700000000, -0.0000601400000000, -0.0004819200000000 ] - [ 0.0002724700000000, 0.0001657900000000, 0.0009962300000000 ] - [ 0.0000523800000000, -0.0007381400000000, 0.0003804500000000 ] - [ 0.0000461200000000, 0.0007222800000000, 0.0004162200000000 ] - [ -0.0006750300000000, 0.0002287600000000, 0.0001103400000000 ] - [ -0.0004045900000000, 0.0000551700000000, -0.0005216900000000 ] - [ 0.0011634600000000, 0.0000183400000000, -0.0004182500000000 ] - [ 0.0024489500000000, 0.0005952500000000, -0.0009897900000000 ] - [ 0.0003965900000000, 0.0001017000000000, -0.0008094600000000 ] - [ -0.0006087400000000, -0.0000437700000000, -0.0003435000000000 ] - [ -0.0009158400000000, -0.0000671900000000, -0.0003430600000000 ] - [ 0.0002949300000000, 0.0002872400000000, 0.0000316200000000 ] - [ -0.0009818400000000, 0.0002604600000000, 0.0000371900000000 ] - [ 0.0026132700000000, 0.0086008200000000, -0.0108866100000000 ] - [ -0.0010346300000000, 0.0076777100000000, 0.0011859400000000 ] - [ 0.0001194000000000, -0.0000201300000000, -0.0002109200000000 ] - [ -0.0000221500000000, -0.0000814500000000, 0.0002178000000000 ] - [ -0.0031346900000000, 0.0004576600000000, 0.0016356900000000 ] - [ 0.0011300500000000, -0.0010463100000000, -0.0009758600000000 ] - [ -0.0010735000000000, 0.0006446200000000, -0.0015108900000000 ] - [ 0.0053206400000000, 0.0035238700000000, -0.0020883500000000 ] - [ -0.0006326300000000, 0.0006885300000000, -0.0002666000000000 ] - [ -0.0007463100000000, 0.0007592500000000, 0.0037116900000000 ] - [ 0.0000403400000000, 0.0004552700000000, 0.0004496200000000 ] - [ 0.0012102500000000, 0.0001720800000000, -0.0005195400000000 ] - [ -0.0007489100000000, -0.0000006200000000, -0.0005544400000000 ] - [ -0.0002341200000000, -0.0001899800000000, -0.0002063000000000 ] - [ -0.0004403400000000, -0.0007706700000000, 0.0006570400000000 ] - [ -0.0007701000000000, 0.0003176000000000, 0.0013140500000000 ] - [ -0.0014885000000000, 0.0026830400000000, 0.0018203800000000 ] - [ -0.0005833000000000, 0.0000155300000000, -0.0001629100000000 ] - [ -0.0001056700000000, 0.0001897400000000, -0.0001558300000000 ] - [ 0.0022133900000000, -0.0016646300000000, 0.0016188600000000 ] - [ 0.0003035400000000, 0.0005719000000000, 0.0001284000000000 ] - [ -0.0001249400000000, -0.0000647200000000, 0.0006427000000000 ] - [ 0.0009725700000000, 0.0003760000000000, -0.0001054600000000 ] - [ -0.0006838300000000, -0.0001025600000000, -0.0004869700000000 ] - [ -0.0008840100000000, -0.0008958100000000, -0.0000617300000000 ] - [ -0.0007698700000000, 0.0000788800000000, -0.0003535500000000 ] - [ -0.0007345100000000, -0.0007117700000000, -0.0000804900000000 ] - [ -0.0004195600000000, -0.0001245100000000, -0.0000342200000000 ] - [ -0.0004879000000000, -0.0000340400000000, 0.0005910500000000 ] - [ -0.0003742800000000, 0.0005049500000000, 0.0003688700000000 ] - [ -0.0007875000000000, 0.0000117300000000, -0.0005000700000000 ] - [ -0.0005375000000000, 0.0000530800000000, 0.0000984000000000 ] - [ -0.0003077800000000, 0.0001378100000000, -0.0001188200000000 ] - [ -0.0002895200000000, -0.0000075600000000, 0.0004189200000000 ] - [ -0.0010895500000000, 0.0003353400000000, 0.0002095000000000 ] - [ -0.0007724900000000, -0.0002359700000000, -0.0006750000000000 ] - [ -0.0010882300000000, -0.0003339900000000, 0.0002007800000000 ] - [ 0.0001731800000000, -0.0006383600000000, 0.0006374400000000 ] - [ -0.0001394500000000, 0.0008521200000000, 0.0000099000000000 ] - [ -0.0002363400000000, 0.0000362900000000, -0.0001826200000000 ] - [ -0.0001466000000000, -0.0000371800000000, -0.0003708400000000 ] - [ -0.0001763800000000, -0.0003393100000000, 0.0000022600000000 ] - [ -0.0003674900000000, -0.0005001200000000, 0.0003684400000000 ] - [ -0.0001666000000000, 0.0004787600000000, 0.0000050600000000 ] - [ -0.0005481200000000, -0.0000296000000000, -0.0001837300000000 ] - [ -0.0008945200000000, -0.0000808800000000, -0.0003082600000000 ] - [ -0.0004327500000000, 0.0001180500000000, -0.0005326100000000 ] - [ -0.0008037000000000, 0.0001757200000000, -0.0002467300000000 ] - [ -0.0003631500000000, 0.0001683200000000, -0.0004587400000000 ] - [ -0.0001829300000000, 0.0003452800000000, -0.0000044900000000 ] - [ -0.0002243100000000, -0.0000387800000000, -0.0001644200000000 ] - [ 0.0001271300000000, -0.0000576100000000, 0.0001001500000000 ] - [ -0.0003175400000000, -0.0006591600000000, 0.0004091700000000 ] - [ -0.0001200500000000, 0.0000592800000000, -0.0002431500000000 ] - [ -0.0004460400000000, -0.0001108500000000, -0.0005246600000000 ] - [ -0.0005400500000000, -0.0000562800000000, 0.0001009600000000 ] - [ -0.0007389300000000, 0.0007174300000000, -0.0000347500000000 ] - [ -0.0001227700000000, -0.0000602400000000, -0.0002506500000000 ] - [ -0.0006475700000000, 0.0001472000000000, 0.0006920400000000 ] - [ -0.0005355000000000, -0.0005478400000000, 0.0002317200000000 ] - [ -0.0006789600000000, 0.0000404700000000, -0.0007065300000000 ] - [ -0.0002353900000000, -0.0002114200000000, -0.0001441600000000 ] - [ -0.0001670100000000, -0.0004764200000000, -0.0000081100000000 ] - [ -0.0006717000000000, -0.0001410900000000, 0.0006820000000000 ] - [ -0.0005305700000000, 0.0005442000000000, 0.0002234300000000 ] - [ -0.0006503200000000, 0.0000355600000000, -0.0003554300000000 ] - [ -0.0000864200000000, 0.0001679700000000, -0.0002108800000000 ] - [ -0.0003562300000000, -0.0001697600000000, -0.0004598800000000 ] - [ -0.0003079000000000, 0.0006540500000000, 0.0004098400000000 ] - [ -0.0004008400000000, 0.0001197800000000, -0.0000390500000000 ] - [ -0.0003053800000000, -0.0001375700000000, -0.0001184900000000 ] - [ -0.0008191600000000, -0.0001879400000000, -0.0001777800000000 ] - [ -0.0004913700000000, 0.0000334000000000, 0.0005945900000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001617400000000, 0.0001357600000000, -0.0001780100000000 ] - [ -0.0002425200000000, -0.0002485100000000, 0.0002175200000000 ] - [ -0.0000883700000000, -0.0000676600000000, -0.0004506600000000 ] - [ -0.0002932100000000, 0.0002556100000000, 0.0001354300000000 ] - [ 0.0000732000000000, 0.0001169100000000, -0.0002885300000000 ] - [ -0.0003101800000000, -0.0002561800000000, 0.0001790100000000 ] - [ 0.0000891600000000, -0.0001176000000000, -0.0003058700000000 ] - [ -0.0002069400000000, 0.0002482900000000, 0.0001869900000000 ] - [ -0.0005037600000000, -0.0003551400000000, 0.0000657200000000 ] - [ 0.0022287200000000, -0.0007817000000000, -0.0001376600000000 ] - [ 0.0003075400000000, 0.0002254500000000, 0.0001072100000000 ] - [ 0.0001611300000000, -0.0002457600000000, 0.0000943700000000 ] - [ 0.0004485900000000, 0.0001753900000000, -0.0003397400000000 ] - [ 0.0003947300000000, -0.0001743300000000, -0.0003436000000000 ] - [ -0.0006203800000000, 0.0005313100000000, -0.0001889300000000 ] - [ 0.0014754500000000, 0.0002788600000000, 0.0009256700000000 ] - [ 0.0002336200000000, -0.0000313700000000, -0.0001032400000000 ] - [ 0.0008587900000000, -0.0008221700000000, 0.0004764700000000 ] - [ 0.0008596300000000, 0.0008290600000000, 0.0004101200000000 ] - [ -0.0012784500000000, 0.0002681700000000, 0.0036728700000000 ] - [ 0.0010569800000000, 0.0000911600000000, -0.0002368400000000 ] - [ -0.0010773400000000, 0.0006073900000000, 0.0028912100000000 ] - [ 0.0004138000000000, 0.0000320400000000, 0.0010050300000000 ] - [ -0.0015797900000000, -0.0008107000000000, -0.0033378700000000 ] - [ 0.0005474400000000, 0.0000384400000000, 0.0000132500000000 ] - [ -0.0084616000000000, 0.1193974100000000, -0.1231472900000000 ] - [ -0.0030314500000000, 0.0021948700000000, 0.0024277100000000 ] - [ 0.0046514400000000, -0.0086364000000000, 0.0037912600000000 ] - [ -0.0007066900000000, -0.0022362100000000, -0.0006639500000000 ] - [ -0.0013931200000000, -0.0001312500000000, 0.0027629400000000 ] - [ 0.0001967400000000, 0.0000462300000000, 0.0000408900000000 ] - [ -0.0047139700000000, 0.0114651000000000, 0.0002956600000000 ] - [ 0.0002277300000000, -0.0000558400000000, -0.0003225000000000 ] - [ 0.0003875900000000, -0.0008996700000000, 0.0009379300000000 ] - [ 0.0015731300000000, 0.0005675400000000, -0.0005237300000000 ] - [ -0.0000342400000000, 0.0006334000000000, 0.0008452600000000 ] - [ 0.0007293200000000, 0.0000187800000000, -0.0002655700000000 ] - [ 0.0003074700000000, 0.0000511600000000, -0.0002265100000000 ] - [ 0.0004545200000000, -0.0000014300000000, -0.0000332700000000 ] - [ -0.0000114700000000, -0.0006447600000000, 0.0008345400000000 ] - [ 0.0008907100000000, -0.0000463500000000, -0.0000788000000000 ] - [ 0.0006137300000000, -0.0002123000000000, 0.0001408100000000 ] - [ 0.0003035300000000, 0.0003398300000000, -0.0000674700000000 ] - [ 0.0002967600000000, -0.0003358100000000, -0.0000835500000000 ] - [ 0.0004426400000000, 0.0000184100000000, -0.0000796300000000 ] - [ 0.0006153900000000, 0.0002103600000000, 0.0001518600000000 ] - [ 0.0001399900000000, 0.0000243900000000, 0.0001706800000000 ] - [ 0.0003195400000000, -0.0000478200000000, -0.0002392500000000 ] - [ -0.0006248100000000, 0.0001123600000000, -0.0003961300000000 ] - [ -0.0002795300000000, -0.0004887300000000, -0.0001687400000000 ] - [ 0.0000685200000000, 0.0004643200000000, 0.0003821300000000 ] - [ 0.0004230300000000, -0.0001932000000000, -0.0009584200000000 ] - [ 0.0031856000000000, -0.0111575200000000, 0.0064599000000000 ] - [ -0.0005583000000000, 0.0000316100000000, -0.0004957200000000 ] - [ 0.0026189300000000, -0.0012365600000000, -0.0033802800000000 ] - [ 0.0154310400000000, -0.1203546900000000, 0.1089205200000000 ] - [ 0.0001368900000000, 0.0000454300000000, 0.0002102300000000 ] - [ -0.0037162400000000, 0.0035764400000000, -0.0012183400000000 ] - [ -0.0001589700000000, 0.0000261400000000, -0.0004689600000000 ] - [ 0.0006092600000000, 0.0000445300000000, 0.0005418600000000 ] - [ 0.0002311400000000, -0.0006928400000000, 0.0003759500000000 ] - [ 0.0002534200000000, 0.0006635100000000, 0.0004276500000000 ] - [ -0.0002727900000000, 0.0004072600000000, 0.0001511100000000 ] - [ -0.0001658600000000, -0.0000192500000000, -0.0005136800000000 ] - [ 0.0001498300000000, -0.0005507200000000, -0.0013081800000000 ] - [ 0.0013236500000000, 0.0002604800000000, -0.0012760000000000 ] - [ 0.0002720200000000, -0.0000289000000000, -0.0009559300000000 ] - [ -0.0002496000000000, -0.0000361400000000, -0.0001983600000000 ] - [ -0.0006058500000000, -0.0001119300000000, -0.0002868900000000 ] - [ -0.0000353900000000, -0.0000055100000000, -0.0007060600000000 ] - [ -0.0002424300000000, -0.0000233900000000, -0.0003542400000000 ] - [ -0.0015117600000000, -0.0093600200000000, 0.0031074000000000 ] - [ -0.0066508400000000, 0.0111625200000000, 0.0038315700000000 ] - [ -0.0000180900000000, 0.0000305300000000, -0.0006554900000000 ] - [ 0.0001685400000000, -0.0000430300000000, 0.0001592000000000 ] - [ -0.0006504600000000, -0.0000335700000000, 0.0025427400000000 ] - [ 0.0000683700000000, -0.0000709900000000, -0.0010791200000000 ] - [ -0.0004339500000000, -0.0004997600000000, -0.0000156800000000 ] - [ 0.0016575000000000, 0.0019953000000000, -0.0004699500000000 ] - [ -0.0005519500000000, 0.0005967600000000, -0.0000891600000000 ] - [ 0.0020069100000000, -0.0010384600000000, -0.0015715000000000 ] - [ -0.0001846000000000, 0.0003588500000000, 0.0000624500000000 ] - [ -0.0007671200000000, 0.0002578500000000, -0.0009851400000000 ] - [ -0.0004888100000000, 0.0000004100000000, -0.0005536300000000 ] - [ 0.0000681500000000, -0.0001309800000000, -0.0001746900000000 ] - [ 0.0002593500000000, -0.0005675900000000, 0.0004466400000000 ] - [ 0.0006006200000000, -0.0005059200000000, 0.0015460000000000 ] - [ 0.0005733200000000, -0.0004048100000000, -0.0000490100000000 ] - [ 0.0000113300000000, 0.0000203900000000, -0.0000895500000000 ] - [ 0.0001150000000000, 0.0000583100000000, -0.0002928300000000 ] - [ 0.0004472500000000, -0.0007126400000000, -0.0001771100000000 ] - [ 0.0002722800000000, 0.0006215100000000, -0.0008128400000000 ] - [ -0.0002032200000000, 0.0002384900000000, -0.0003808400000000 ] - [ 0.0003676800000000, -0.0002662900000000, -0.0014845700000000 ] - [ -0.0006251800000000, -0.0001205500000000, -0.0002276100000000 ] - [ -0.0010142600000000, 0.0061736500000000, 0.0022549300000000 ] - [ -0.0006019400000000, 0.0000979300000000, -0.0003862500000000 ] - [ -0.0004622100000000, -0.0005648700000000, -0.0001327000000000 ] - [ -0.0002396500000000, -0.0001176400000000, -0.0000179500000000 ] - [ -0.0003162500000000, -0.0001027700000000, 0.0005736000000000 ] - [ -0.0000220000000000, 0.0003098600000000, 0.0002580400000000 ] - [ -0.0004207600000000, 0.0000701300000000, -0.0003887600000000 ] - [ -0.0001967300000000, -0.0001360300000000, -0.0000125700000000 ] - [ -0.0001408800000000, 0.0000834000000000, -0.0001412400000000 ] - [ -0.0000193800000000, -0.0000919900000000, 0.0006887600000000 ] - [ -0.0006950000000000, 0.0002336300000000, 0.0003121400000000 ] - [ -0.0005307900000000, 0.0001225200000000, -0.0002062500000000 ] - [ -0.0007128600000000, -0.0002332300000000, 0.0003006200000000 ] - [ 0.0003308500000000, -0.0007420200000000, 0.0003206400000000 ] - [ 0.0001339000000000, 0.0005984400000000, 0.0004429700000000 ] - [ -0.0000572800000000, 0.0000413400000000, -0.0001867300000000 ] - [ 0.0000325800000000, 0.0000102400000000, -0.0006143200000000 ] - [ 0.0000579900000000, -0.0002341700000000, -0.0000034600000000 ] - [ -0.0000186000000000, -0.0003068600000000, 0.0002563900000000 ] - [ 0.0000432000000000, 0.0004208300000000, -0.0000391800000000 ] - [ 0.0000251000000000, -0.0000354100000000, -0.0000809300000000 ] - [ -0.0006341500000000, -0.0001544400000000, -0.0002878500000000 ] - [ -0.0000635200000000, 0.0001336100000000, -0.0004251200000000 ] - [ -0.0005113500000000, 0.0000596100000000, -0.0002601100000000 ] - [ 0.0000047600000000, 0.0002807700000000, -0.0003460300000000 ] - [ 0.0000596700000000, 0.0002271400000000, 0.0000094100000000 ] - [ -0.0000423600000000, -0.0000413700000000, -0.0002170400000000 ] - [ 0.0002883000000000, -0.0000742200000000, -0.0002038500000000 ] - [ -0.0000757800000000, -0.0005506300000000, 0.0003851300000000 ] - [ 0.0001816400000000, -0.0000442300000000, -0.0002286000000000 ] - [ -0.0000201300000000, -0.0001338500000000, -0.0003926400000000 ] - [ -0.0001966100000000, 0.0001339000000000, -0.0000103200000000 ] - [ -0.0003950900000000, 0.0005283600000000, -0.0001268400000000 ] - [ 0.0001703000000000, 0.0000397600000000, -0.0002219500000000 ] - [ -0.0003188500000000, 0.0002890500000000, 0.0007332100000000 ] - [ -0.0002990100000000, -0.0004839400000000, 0.0001659200000000 ] - [ -0.0005674100000000, 0.0000459100000000, -0.0006711000000000 ] - [ 0.0000644300000000, -0.0000805300000000, -0.0002023800000000 ] - [ 0.0000318100000000, -0.0004287300000000, -0.0000400000000000 ] - [ -0.0003449000000000, -0.0002811400000000, 0.0007447600000000 ] - [ -0.0003079900000000, 0.0004893300000000, 0.0001670500000000 ] - [ -0.0002959400000000, 0.0000163000000000, -0.0001727100000000 ] - [ 0.0001080500000000, 0.0000906500000000, -0.0002727600000000 ] - [ -0.0000040400000000, -0.0002809100000000, -0.0003494000000000 ] - [ -0.0000763100000000, 0.0005579900000000, 0.0003683700000000 ] - [ -0.0002438600000000, 0.0001209600000000, -0.0000344700000000 ] - [ -0.0001404700000000, -0.0000858500000000, -0.0001485000000000 ] - [ -0.0004605900000000, -0.0000366600000000, -0.0002528800000000 ] - [ -0.0003167100000000, 0.0001048000000000, 0.0005842900000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001938600000000, 0.0001006300000000, -0.0004192400000000 ] - [ -0.0004439500000000, -0.0002705000000000, 0.0001148900000000 ] - [ 0.0000578200000000, -0.0001691100000000, -0.0001486500000000 ] - [ -0.0003930300000000, 0.0002624200000000, 0.0001964200000000 ] - [ -0.0001038700000000, 0.0001195500000000, -0.0003090900000000 ] - [ -0.0003758400000000, -0.0002627800000000, 0.0001530400000000 ] - [ -0.0001198500000000, -0.0001199400000000, -0.0002916300000000 ] - [ -0.0004799600000000, 0.0002696700000000, 0.0001451100000000 ] - [ 0.0007167700000000, 0.0006593900000000, -0.0007740300000000 ] - [ -0.0020425300000000, 0.0004889500000000, -0.0005561800000000 ] - [ -0.0004961600000000, 0.0002838800000000, 0.0000928300000000 ] - [ -0.0003507000000000, -0.0002637700000000, 0.0001049200000000 ] - [ -0.0002319700000000, 0.0001277000000000, -0.0003595900000000 ] - [ -0.0001774200000000, -0.0001292300000000, -0.0003556900000000 ] - [ 0.0004395500000000, -0.0000235700000000, 0.0003900900000000 ] - [ -0.0016808400000000, -0.0007961200000000, -0.0007345700000000 ] - [ -0.0002585800000000, -0.0000693900000000, 0.0000070500000000 ] - [ 0.0003974700000000, -0.0007941900000000, 0.0003513800000000 ] - [ 0.0003968100000000, 0.0007870100000000, 0.0004173000000000 ] - [ 0.0007215700000000, 0.0008928700000000, -0.0020360400000000 ] - [ -0.0002282000000000, -0.0001401100000000, -0.0000875500000000 ] - [ 0.0011977300000000, -0.0004758500000000, -0.0033672300000000 ] - [ -0.0000141300000000, -0.0001953200000000, -0.0012055200000000 ] - [ 0.0010098800000000, -0.0003719400000000, 0.0050226200000000 ] - [ 0.0002751200000000, 0.0000135200000000, -0.0003432900000000 ] - [ 0.0090852000000000, -0.1179030900000000, 0.1191052800000000 ] - [ 0.0031113900000000, -0.0014911400000000, -0.0024845700000000 ] - [ -0.0046536900000000, 0.0080691100000000, -0.0038938200000000 ] - [ 0.0011642600000000, 0.0023726700000000, 0.0004948300000000 ] - [ 0.0021139000000000, 0.0005666700000000, -0.0024032400000000 ] - [ -0.0002230300000000, 0.0000544100000000, -0.0001368200000000 ] - [ 0.0046781200000000, -0.0114692000000000, -0.0005859500000000 ] - [ -0.0002531700000000, -0.0000453400000000, 0.0002293200000000 ] - [ 0.0008733000000000, -0.0007175800000000, -0.0001157600000000 ] - [ -0.0003174300000000, 0.0010596700000000, 0.0013665300000000 ] - [ -0.0005398900000000, 0.0005164900000000, 0.0008197600000000 ] - [ 0.0000965600000000, -0.0000700400000000, -0.0000642200000000 ] - [ -0.0002004400000000, 0.0001183100000000, -0.0002401400000000 ] - [ -0.0000566700000000, -0.0001601800000000, -0.0001688900000000 ] - [ -0.0005625800000000, -0.0005057000000000, 0.0008304200000000 ] - [ -0.0000669500000000, 0.0000974900000000, -0.0002527000000000 ] - [ 0.0000782700000000, -0.0002241100000000, 0.0002377800000000 ] - [ -0.0002373600000000, 0.0003499800000000, 0.0000241700000000 ] - [ -0.0002305600000000, -0.0003546200000000, 0.0000405700000000 ] - [ -0.0000444200000000, 0.0001423100000000, -0.0001217000000000 ] - [ 0.0000765400000000, 0.0002255900000000, 0.0002264000000000 ] - [ -0.0001650400000000, 0.0000764900000000, -0.0002691200000000 ] - [ -0.0002125400000000, -0.0001222300000000, -0.0002274400000000 ] - [ -0.0004179500000000, 0.0001579400000000, -0.0002977700000000 ] - [ -0.0002880100000000, -0.0004483200000000, -0.0001521000000000 ] - [ -0.0004060000000000, -0.0007195900000000, -0.0004336500000000 ] - [ -0.0009013700000000, -0.0000798000000000, 0.0021049700000000 ] - [ -0.0028507800000000, 0.0114958100000000, -0.0059558100000000 ] - [ -0.0002837600000000, 0.0000223400000000, -0.0004791700000000 ] - [ -0.0026945700000000, 0.0008055900000000, 0.0032345400000000 ] - [ -0.0152192900000000, 0.1185041300000000, -0.1052159400000000 ] - [ 0.0003424700000000, 0.0000020800000000, 0.0001279700000000 ] - [ 0.0027302100000000, -0.0032669500000000, 0.0019568200000000 ] - [ 0.0000653200000000, 0.0000904400000000, -0.0005041400000000 ] - [ -0.0016707600000000, -0.0004221800000000, 0.0001619800000000 ] - [ 0.0004347800000000, -0.0006108700000000, 0.0004352900000000 ] - [ 0.0004126500000000, 0.0006396500000000, 0.0003840000000000 ] - [ 0.0003280400000000, -0.0003140000000000, -0.0005748000000000 ] - [ 0.0000724200000000, -0.0000979100000000, -0.0004597900000000 ] - [ 0.0001840100000000, 0.0001947600000000, 0.0013234400000000 ] - [ -0.0010596300000000, -0.0007023500000000, 0.0017012800000000 ] - [ -0.0000124300000000, 0.0008340000000000, 0.0008503900000000 ] - [ 0.0004641500000000, -0.0000117800000000, 0.0000744200000000 ] - [ -0.0004378600000000, -0.0001587600000000, -0.0004070800000000 ] - [ 0.0003182000000000, 0.0002912000000000, -0.0000002800000000 ] - [ -0.0004306500000000, -0.0000084100000000, -0.0001952900000000 ] - [ 0.0018299000000000, 0.0099159100000000, -0.0035487400000000 ] - [ 0.0067964300000000, -0.0106310800000000, -0.0037665300000000 ] - [ 0.0000832300000000, -0.0001174200000000, 0.0002244300000000 ] - [ 0.0003111000000000, -0.0000045700000000, 0.0001789500000000 ] - [ 0.0007033400000000, -0.0009688900000000, -0.0018289700000000 ] - [ 0.0005570900000000, -0.0000969300000000, 0.0006583200000000 ] - [ 0.0006963800000000, 0.0002278900000000, -0.0007012800000000 ] - [ -0.0017750000000000, -0.0015870400000000, 0.0003641500000000 ] - [ -0.0000143700000000, 0.0003365500000000, -0.0002348600000000 ] - [ -0.0013847700000000, 0.0012204400000000, 0.0011317200000000 ] - [ -0.0001825200000000, 0.0003390000000000, 0.0014721300000000 ] - [ 0.0003613200000000, -0.0011755400000000, 0.0012505000000000 ] - [ -0.0003527900000000, -0.0000549100000000, -0.0004207900000000 ] - [ 0.0003183200000000, 0.0000439400000000, -0.0003494400000000 ] - [ -0.0000015500000000, -0.0002286400000000, -0.0005644200000000 ] - [ -0.0009681100000000, -0.0001902100000000, -0.0000236500000000 ] - [ -0.0009434400000000, 0.0012824100000000, 0.0003267600000000 ] - [ 0.0002049900000000, 0.0000271200000000, -0.0000329100000000 ] - [ 0.0002723400000000, 0.0000281100000000, -0.0002320900000000 ] - [ -0.0001256300000000, 0.0000613300000000, -0.0004264700000000 ] - [ -0.0002113100000000, 0.0003914100000000, 0.0015490100000000 ] - [ -0.0001257600000000, -0.0000029000000000, 0.0003366200000000 ] - [ -0.0005025500000000, 0.0001466800000000, 0.0011792900000000 ] - [ -0.0000491800000000, 0.0001531700000000, -0.0003251400000000 ] - [ 0.0005915800000000, -0.0059481200000000, -0.0011339400000000 ] - [ -0.0004413600000000, 0.0001725400000000, -0.0003069800000000 ] - [ -0.0001057200000000, -0.0003715700000000, -0.0001891700000000 ] - [ -0.0000900200000000, -0.0001180300000000, -0.0000238700000000 ] - [ -0.0001581200000000, -0.0001691200000000, 0.0005712100000000 ] - [ 0.0003025900000000, 0.0001286000000000, 0.0001536600000000 ] - [ -0.0004220100000000, -0.0000164400000000, -0.0005870600000000 ] - [ 0.0001160700000000, -0.0003076900000000, -0.0001117600000000 ] - [ 0.0000110500000000, 0.0000370400000000, -0.0001723100000000 ] - [ 0.0004999800000000, 0.0001393600000000, -0.0003561600000000 ] - [ -0.0003609900000000, 0.0001400600000000, 0.0003929300000000 ] - [ 0.0004412200000000, -0.0000079900000000, -0.0007717500000000 ] - [ -0.0003425300000000, -0.0001406200000000, 0.0004047900000000 ] - [ 0.0003342200000000, -0.0005607100000000, 0.0004923500000000 ] - [ 0.0005324200000000, 0.0007057400000000, 0.0003664200000000 ] - [ 0.0001225900000000, 0.0000448900000000, -0.0002453600000000 ] - [ -0.0001273400000000, -0.0001277100000000, -0.0003575600000000 ] - [ 0.0002776300000000, -0.0001250300000000, 0.0000128800000000 ] - [ 0.0002992800000000, -0.0001320000000000, 0.0001555800000000 ] - [ 0.0002185900000000, 0.0003805000000000, -0.0000750700000000 ] - [ 0.0001882900000000, -0.0000121300000000, -0.0000419000000000 ] - [ -0.0004089900000000, -0.0001159600000000, -0.0004068700000000 ] - [ 0.0003458100000000, 0.0001515000000000, -0.0002814500000000 ] - [ -0.0001636700000000, -0.0000911300000000, -0.0002898100000000 ] - [ 0.0003264100000000, 0.0003829100000000, -0.0002469800000000 ] - [ 0.0002757100000000, 0.0001320500000000, 0.0000000300000000 ] - [ 0.0001073100000000, -0.0000450400000000, -0.0002141200000000 ] - [ 0.0001899600000000, 0.0000269700000000, 0.0005459600000000 ] - [ 0.0001407200000000, -0.0004643500000000, 0.0003392500000000 ] - [ 0.0004424400000000, -0.0001336200000000, -0.0002028700000000 ] - [ 0.0003015300000000, -0.0001517400000000, -0.0003141500000000 ] - [ 0.0001164300000000, 0.0003093200000000, -0.0001146100000000 ] - [ -0.0001735700000000, 0.0004079900000000, -0.0001949800000000 ] - [ 0.0004540400000000, 0.0001378100000000, -0.0002097400000000 ] - [ -0.0000464900000000, 0.0004100700000000, 0.0007929500000000 ] - [ -0.0000975200000000, -0.0004346400000000, 0.0001115900000000 ] - [ -0.0002739100000000, -0.0001009800000000, -0.0003018800000000 ] - [ 0.0003227100000000, -0.0000066200000000, -0.0003222700000000 ] - [ 0.0002299300000000, -0.0003731400000000, -0.0000742700000000 ] - [ -0.0000206000000000, -0.0004184500000000, 0.0007809900000000 ] - [ -0.0000886600000000, 0.0004286800000000, 0.0001102900000000 ] - [ 0.0005137400000000, 0.0000316200000000, 0.0000499700000000 ] - [ 0.0002786100000000, -0.0000041100000000, -0.0002516200000000 ] - [ 0.0003355100000000, -0.0003833700000000, -0.0002430600000000 ] - [ 0.0001412900000000, 0.0004564800000000, 0.0003558000000000 ] - [ -0.0000864300000000, 0.0001147300000000, -0.0000074600000000 ] - [ 0.0000106600000000, -0.0000349300000000, -0.0001647700000000 ] - [ -0.0002150300000000, 0.0000673600000000, -0.0002970700000000 ] - [ -0.0001576300000000, 0.0001665200000000, 0.0005603200000000 ]- atom: 56 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0004012300000000, -0.0000095900000000, -0.0008876200000000 ] - [ -0.0004525900000000, -0.0002771600000000, -0.0000097100000000 ] - [ 0.0007006700000000, -0.0002632200000000, 0.0004476500000000 ] - [ -0.0001326500000000, 0.0002438400000000, 0.0003548300000000 ] - [ 0.0000394600000000, 0.0001186800000000, -0.0003300400000000 ] - [ -0.0002399200000000, -0.0002601800000000, 0.0001217200000000 ] - [ 0.0000426700000000, -0.0001164300000000, -0.0002632100000000 ] - [ -0.0003745400000000, 0.0002583400000000, 0.0002149000000000 ] - [ 0.0050515300000000, -0.0005670500000000, -0.0017106000000000 ] - [ -0.0081136400000000, 0.0022997000000000, -0.0013201600000000 ] - [ -0.0002295700000000, 0.0002922000000000, 0.0000746900000000 ] - [ 0.0004093000000000, -0.0002045700000000, 0.0001293300000000 ] - [ 0.0002177100000000, 0.0001634000000000, -0.0003322000000000 ] - [ 0.0003583400000000, -0.0001653000000000, -0.0003568100000000 ] - [ 0.0018742800000000, 0.0000290000000000, -0.0000234000000000 ] - [ -0.0023504800000000, -0.0010127600000000, -0.0006507400000000 ] - [ 0.0000607500000000, -0.0001095900000000, 0.0002946300000000 ] - [ 0.0007606000000000, -0.0008350300000000, 0.0002854500000000 ] - [ 0.0007706500000000, 0.0008077500000000, 0.0005772700000000 ] - [ -0.0010963000000000, 0.0004357300000000, -0.0044661500000000 ] - [ -0.0004798100000000, -0.0000440200000000, 0.0007370100000000 ] - [ -0.0003865800000000, -0.0040830000000000, -0.0103259600000000 ] - [ -0.0004462500000000, 0.0001369700000000, -0.0071551500000000 ] - [ 0.0076068300000000, -0.0058319100000000, 0.0075626500000000 ] - [ 0.0017792300000000, -0.0001251200000000, -0.0012854800000000 ] - [ 0.0017683000000000, -0.0974413000000000, 0.1683763000000000 ] - [ 0.0043624500000000, 0.0011001000000000, -0.0085802400000000 ] - [ -0.0087068100000000, 0.0065943700000000, 0.0049841500000000 ] - [ 0.0021726600000000, -0.0019729400000000, 0.0096760300000000 ] - [ -0.0020657400000000, 0.0012911400000000, -0.0084036700000000 ] - [ 0.0002076100000000, -0.0000272200000000, -0.0003685500000000 ] - [ 0.0137253600000000, -0.0132526100000000, -0.0014215600000000 ] - [ 0.0003038000000000, -0.0000031700000000, 0.0005035700000000 ] - [ 0.0010838900000000, -0.0007530800000000, -0.0012845300000000 ] - [ 0.0001137400000000, 0.0015493400000000, 0.0029698600000000 ] - [ -0.0000821900000000, 0.0006366300000000, 0.0008132300000000 ] - [ 0.0008477900000000, 0.0000157400000000, -0.0000995200000000 ] - [ 0.0002142300000000, 0.0000623100000000, -0.0002546600000000 ] - [ 0.0003123100000000, -0.0000602200000000, -0.0001316700000000 ] - [ -0.0001850500000000, -0.0005894400000000, 0.0008588400000000 ] - [ 0.0004121900000000, 0.0000333700000000, -0.0002917800000000 ] - [ 0.0005010700000000, -0.0002093600000000, 0.0001814600000000 ] - [ 0.0001690000000000, 0.0003301100000000, -0.0000865100000000 ] - [ 0.0002055800000000, -0.0003492300000000, -0.0000174700000000 ] - [ 0.0003722800000000, 0.0000191700000000, -0.0000197000000000 ] - [ 0.0004981000000000, 0.0002170000000000, 0.0001470500000000 ] - [ 0.0000642900000000, 0.0000853900000000, -0.0004634700000000 ] - [ 0.0001905800000000, -0.0000681800000000, -0.0002098200000000 ] - [ -0.0005232800000000, 0.0001508800000000, -0.0000959500000000 ] - [ -0.0011940600000000, -0.0008267400000000, 0.0000695600000000 ] - [ -0.0000327200000000, -0.0014091000000000, -0.0021873700000000 ] - [ -0.0005455200000000, -0.0017811800000000, 0.0046108900000000 ] - [ -0.0099942900000000, -0.0009021200000000, 0.0148927700000000 ] - [ -0.0003321800000000, -0.0000502000000000, -0.0006529100000000 ] - [ -0.0022325700000000, 0.0001384300000000, 0.0039264200000000 ] - [ -0.0046183200000000, 0.1035476100000000, -0.1875032400000000 ] - [ 0.0002559400000000, 0.0000316200000000, 0.0000663800000000 ] - [ 0.0047452900000000, -0.0040131600000000, 0.0018808200000000 ] - [ -0.0001374500000000, 0.0000190300000000, -0.0005893000000000 ] - [ -0.0019198600000000, -0.0005260300000000, 0.0006669300000000 ] - [ 0.0003274600000000, -0.0006064400000000, 0.0005149500000000 ] - [ 0.0002377200000000, 0.0007238500000000, 0.0002956800000000 ] - [ 0.0000991200000000, -0.0003944200000000, -0.0030986700000000 ] - [ -0.0000952400000000, -0.0000530100000000, -0.0003907500000000 ] - [ 0.0014216600000000, 0.0018074600000000, 0.0043961300000000 ] - [ 0.0006077100000000, -0.0007063700000000, 0.0025828700000000 ] - [ 0.0003300500000000, 0.0010177000000000, 0.0011967800000000 ] - [ 0.0006153700000000, -0.0000121200000000, 0.0000734300000000 ] - [ -0.0006535900000000, -0.0001065500000000, -0.0006145900000000 ] - [ 0.0004726800000000, 0.0007710600000000, 0.0011814200000000 ] - [ -0.0015892100000000, 0.0005650200000000, 0.0001487000000000 ] - [ 0.0128214200000000, -0.0001527100000000, 0.0109510400000000 ] - [ -0.0034163300000000, 0.0054643100000000, -0.0084849000000000 ] - [ -0.0001950000000000, -0.0004148900000000, 0.0023138900000000 ] - [ 0.0001201600000000, -0.0000399800000000, 0.0002926700000000 ] - [ -0.0004487200000000, -0.0006032200000000, -0.0044782400000000 ] - [ 0.0020554900000000, 0.0003333600000000, 0.0029302300000000 ] - [ 0.0000222500000000, 0.0013817200000000, -0.0023442300000000 ] - [ 0.0026930500000000, 0.0025245200000000, -0.0008162100000000 ] - [ 0.0005157300000000, -0.0001425800000000, -0.0004118300000000 ] - [ -0.0042963300000000, -0.0006045600000000, -0.0001884800000000 ] - [ 0.0003148800000000, 0.0005519200000000, 0.0019230900000000 ] - [ 0.0010723900000000, -0.0017255800000000, 0.0013537000000000 ] - [ -0.0006374800000000, -0.0000794900000000, -0.0003656200000000 ] - [ 0.0002522200000000, 0.0000852600000000, -0.0005283000000000 ] - [ -0.0013574600000000, 0.0004757100000000, -0.0007941600000000 ] - [ -0.0022157100000000, 0.0004947400000000, -0.0006696000000000 ] - [ -0.0097100500000000, 0.0095966600000000, 0.0035119500000000 ] - [ -0.0006120000000000, 0.0000345800000000, -0.0002095200000000 ] - [ -0.0000169600000000, 0.0002175800000000, 0.0000201300000000 ] - [ 0.0015597200000000, -0.0030423300000000, 0.0042565300000000 ] - [ -0.0001873000000000, 0.0002562600000000, 0.0031522000000000 ] - [ -0.0005664300000000, -0.0005985600000000, 0.0025564300000000 ] - [ -0.0000949200000000, 0.0012793200000000, 0.0044737200000000 ] - [ 0.0005014200000000, 0.0005504500000000, -0.0005905900000000 ] - [ 0.0003633200000000, -0.0015023900000000, -0.0064351200000000 ] - [ -0.0005586600000000, 0.0001690500000000, -0.0002659000000000 ] - [ -0.0002856500000000, -0.0004687800000000, -0.0001548300000000 ] - [ -0.0002226900000000, -0.0001241000000000, -0.0000387900000000 ] - [ -0.0002840200000000, -0.0001216800000000, 0.0005984500000000 ] - [ 0.0000569100000000, 0.0002627700000000, 0.0002317100000000 ] - [ -0.0007373500000000, -0.0000757000000000, -0.0007228700000000 ] - [ -0.0001280200000000, -0.0001696200000000, -0.0000279400000000 ] - [ -0.0001088000000000, 0.0000780000000000, -0.0001609400000000 ] - [ 0.0003426800000000, 0.0002326700000000, -0.0007943900000000 ] - [ -0.0006718200000000, 0.0002123600000000, 0.0002997500000000 ] - [ 0.0003459500000000, -0.0002804400000000, -0.0011713900000000 ] - [ -0.0005876900000000, -0.0002138700000000, 0.0003523800000000 ] - [ 0.0001727800000000, -0.0004476500000000, 0.0009208700000000 ] - [ 0.0003609500000000, 0.0009318300000000, -0.0000682400000000 ] - [ -0.0000039800000000, 0.0000407800000000, -0.0002533700000000 ] - [ -0.0002821600000000, -0.0001987600000000, -0.0000625700000000 ] - [ 0.0001094500000000, -0.0001986500000000, 0.0000232600000000 ] - [ 0.0000391700000000, -0.0002778800000000, 0.0002384300000000 ] - [ 0.0000508700000000, 0.0004318800000000, -0.0000489500000000 ] - [ -0.0002860900000000, -0.0000059100000000, -0.0001240800000000 ] - [ -0.0006053100000000, -0.0000507300000000, -0.0004411000000000 ] - [ 0.0000916400000000, 0.0001417300000000, -0.0003509500000000 ] - [ -0.0003608800000000, -0.0000134400000000, -0.0002852600000000 ] - [ 0.0000601800000000, 0.0003019600000000, -0.0003283900000000 ] - [ 0.0000997400000000, 0.0002203800000000, -0.0000164300000000 ] - [ -0.0000267100000000, -0.0000433600000000, -0.0001667000000000 ] - [ 0.0000517700000000, 0.0000784200000000, 0.0009679500000000 ] - [ -0.0000313500000000, -0.0005514000000000, 0.0003355800000000 ] - [ 0.0002229600000000, -0.0000580900000000, -0.0002105200000000 ] - [ -0.0000186800000000, -0.0001347200000000, -0.0004163900000000 ] - [ -0.0001340300000000, 0.0001726700000000, -0.0000372500000000 ] - [ -0.0004389100000000, 0.0005549000000000, -0.0001241400000000 ] - [ 0.0002454200000000, 0.0000670000000000, -0.0002339900000000 ] - [ -0.0003274400000000, 0.0002931900000000, 0.0007762900000000 ] - [ -0.0002705900000000, -0.0004829600000000, 0.0001613100000000 ] - [ -0.0003056500000000, -0.0001287800000000, -0.0002728100000000 ] - [ 0.0001024200000000, -0.0001085400000000, -0.0002924100000000 ] - [ 0.0001017800000000, -0.0003984400000000, -0.0000453100000000 ] - [ -0.0002129000000000, -0.0003315100000000, 0.0007236900000000 ] - [ -0.0002463000000000, 0.0004659900000000, 0.0001493300000000 ] - [ 0.0003267400000000, 0.0000514200000000, -0.0000744500000000 ] - [ 0.0001419500000000, 0.0000453000000000, -0.0001957600000000 ] - [ 0.0000818700000000, -0.0003021300000000, -0.0003226100000000 ] - [ -0.0000286000000000, 0.0005169900000000, 0.0004074900000000 ] - [ -0.0001968100000000, 0.0001123400000000, -0.0000065400000000 ] - [ -0.0001088700000000, -0.0000704000000000, -0.0001377900000000 ] - [ -0.0004891300000000, -0.0000500400000000, -0.0002364600000000 ] - [ -0.0002820900000000, 0.0001120700000000, 0.0005530000000000 ]- atom: 56 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0003733100000000, 0.0002460300000000, 0.0002867000000000 ] - [ -0.0002327400000000, -0.0002416300000000, 0.0003401900000000 ] - [ -0.0007329400000000, 0.0000246200000000, -0.0010385500000000 ] - [ -0.0005530600000000, 0.0002745400000000, -0.0000204500000000 ] - [ -0.0000696000000000, 0.0001181300000000, -0.0002677900000000 ] - [ -0.0004459300000000, -0.0002586500000000, 0.0002096800000000 ] - [ -0.0000723200000000, -0.0001208600000000, -0.0003342100000000 ] - [ -0.0003105000000000, 0.0002599100000000, 0.0001177500000000 ] - [ -0.0048016400000000, 0.0008581300000000, 0.0010368500000000 ] - [ 0.0083406600000000, -0.0026145700000000, 0.0005953400000000 ] - [ 0.0000422900000000, 0.0002172400000000, 0.0001236600000000 ] - [ -0.0005923400000000, -0.0003041700000000, 0.0000704800000000 ] - [ 0.0000008600000000, 0.0001403200000000, -0.0003672100000000 ] - [ -0.0001391800000000, -0.0001382500000000, -0.0003429800000000 ] - [ -0.0020582100000000, 0.0004794400000000, 0.0002135200000000 ] - [ 0.0021538100000000, 0.0004998500000000, 0.0008543100000000 ] - [ -0.0000850300000000, 0.0000080800000000, -0.0003895600000000 ] - [ 0.0005012200000000, -0.0007812800000000, 0.0005418600000000 ] - [ 0.0004902200000000, 0.0008082900000000, 0.0002521600000000 ] - [ 0.0005165400000000, 0.0007148800000000, 0.0061218600000000 ] - [ 0.0012975300000000, -0.0000095800000000, -0.0010764100000000 ] - [ 0.0005145800000000, 0.0042735600000000, 0.0098326800000000 ] - [ 0.0008567700000000, -0.0002912000000000, 0.0069240500000000 ] - [ -0.0081650300000000, 0.0046955500000000, -0.0059757100000000 ] - [ -0.0009393500000000, 0.0001733700000000, 0.0009517200000000 ] - [ -0.0013580000000000, 0.1036402800000000, -0.1761542800000000 ] - [ -0.0042997800000000, -0.0004482900000000, 0.0085535900000000 ] - [ 0.0087209100000000, -0.0071910000000000, -0.0048709800000000 ] - [ -0.0018520300000000, 0.0021574800000000, -0.0098956500000000 ] - [ 0.0027462500000000, -0.0008546200000000, 0.0087608800000000 ] - [ -0.0002273700000000, 0.0001277800000000, 0.0002706600000000 ] - [ -0.0135285100000000, 0.0129385500000000, 0.0012963500000000 ] - [ -0.0003227400000000, -0.0000981800000000, -0.0005994300000000 ] - [ 0.0001721300000000, -0.0008634000000000, 0.0021078000000000 ] - [ 0.0011651300000000, 0.0000799500000000, -0.0021210100000000 ] - [ -0.0004866700000000, 0.0005139800000000, 0.0008520500000000 ] - [ -0.0000175900000000, -0.0000660700000000, -0.0002342900000000 ] - [ -0.0001077400000000, 0.0001066100000000, -0.0002125200000000 ] - [ 0.0000844100000000, -0.0000999100000000, -0.0000699300000000 ] - [ -0.0003848900000000, -0.0005606700000000, 0.0008063500000000 ] - [ 0.0004157800000000, 0.0000172100000000, -0.0000402500000000 ] - [ 0.0001925100000000, -0.0002286200000000, 0.0001967500000000 ] - [ -0.0000997900000000, 0.0003616100000000, 0.0000425600000000 ] - [ -0.0001363800000000, -0.0003426500000000, -0.0000254100000000 ] - [ 0.0000251800000000, 0.0001407200000000, -0.0001811800000000 ] - [ 0.0001955700000000, 0.0002211500000000, 0.0002306600000000 ] - [ -0.0000885700000000, 0.0000158700000000, 0.0003665900000000 ] - [ -0.0000839700000000, -0.0001007200000000, -0.0002570700000000 ] - [ -0.0005227900000000, 0.0001175300000000, -0.0005965900000000 ] - [ 0.0006197000000000, -0.0001123500000000, -0.0003928500000000 ] - [ -0.0002835600000000, 0.0011865700000000, 0.0021567100000000 ] - [ 0.0000687900000000, 0.0015167400000000, -0.0034674000000000 ] - [ 0.0104284100000000, 0.0014571100000000, -0.0147961300000000 ] - [ -0.0005095600000000, 0.0001055500000000, -0.0003204100000000 ] - [ 0.0021447900000000, -0.0005573300000000, -0.0040539700000000 ] - [ 0.0048562300000000, -0.1101949100000000, 0.1955796000000000 ] - [ 0.0002228200000000, 0.0000167900000000, 0.0002730400000000 ] - [ -0.0057511500000000, 0.0043375600000000, -0.0011620200000000 ] - [ 0.0000423500000000, 0.0000958900000000, -0.0003856100000000 ] - [ 0.0008673600000000, 0.0001569400000000, 0.0000454100000000 ] - [ 0.0003371100000000, -0.0006987300000000, 0.0002961000000000 ] - [ 0.0004265600000000, 0.0005824900000000, 0.0005133900000000 ] - [ -0.0000189300000000, 0.0004712000000000, 0.0026420400000000 ] - [ 0.0000000300000000, -0.0000619200000000, -0.0005820500000000 ] - [ -0.0010902800000000, -0.0021665200000000, -0.0043751900000000 ] - [ -0.0003189700000000, 0.0002623300000000, -0.0021680900000000 ] - [ -0.0000653700000000, -0.0002160600000000, -0.0013098300000000 ] - [ -0.0003991300000000, -0.0000348400000000, -0.0001925000000000 ] - [ -0.0003901300000000, -0.0001617100000000, -0.0000808100000000 ] - [ -0.0001970600000000, -0.0004846000000000, -0.0018864400000000 ] - [ 0.0009052100000000, -0.0005911700000000, -0.0006988600000000 ] - [ -0.0126445800000000, 0.0009371300000000, -0.0116973800000000 ] - [ 0.0038529300000000, -0.0052424100000000, 0.0083555000000000 ] - [ 0.0002561000000000, 0.0003282500000000, -0.0027355200000000 ] - [ 0.0003569900000000, -0.0000084900000000, 0.0000483300000000 ] - [ 0.0004724400000000, -0.0004039800000000, 0.0052131400000000 ] - [ -0.0014369700000000, -0.0005129600000000, -0.0033634600000000 ] - [ 0.0002786800000000, -0.0016804500000000, 0.0016513800000000 ] - [ -0.0027497500000000, -0.0020666600000000, 0.0006738600000000 ] - [ -0.0010860300000000, 0.0010835700000000, 0.0000950400000000 ] - [ 0.0048823400000000, 0.0007800600000000, -0.0002874800000000 ] - [ -0.0006781400000000, 0.0001487600000000, -0.0003941400000000 ] - [ -0.0014763800000000, 0.0007996200000000, -0.0010567000000000 ] - [ -0.0002062800000000, 0.0000245500000000, -0.0006081900000000 ] - [ 0.0001354300000000, -0.0001722200000000, 0.0000033700000000 ] - [ 0.0016238200000000, -0.0012898700000000, 0.0006903700000000 ] - [ 0.0018441300000000, -0.0011882000000000, 0.0022015800000000 ] - [ 0.0091668300000000, -0.0085213300000000, -0.0031828400000000 ] - [ 0.0008219400000000, 0.0000137400000000, 0.0000850300000000 ] - [ 0.0004003000000000, -0.0001287000000000, -0.0005436900000000 ] - [ -0.0012261200000000, 0.0023646800000000, -0.0048337800000000 ] - [ 0.0002559000000000, 0.0007570500000000, -0.0024262600000000 ] - [ 0.0002274500000000, 0.0008330200000000, -0.0025869700000000 ] - [ -0.0000375600000000, -0.0013968700000000, -0.0047745200000000 ] - [ -0.0011770800000000, -0.0005222500000000, 0.0000466100000000 ] - [ -0.0009016500000000, 0.0017216600000000, 0.0074963200000000 ] - [ -0.0004859200000000, 0.0000994200000000, -0.0004277100000000 ] - [ -0.0002841900000000, -0.0004694500000000, -0.0001663900000000 ] - [ -0.0001070100000000, -0.0001090000000000, -0.0000026100000000 ] - [ -0.0001907600000000, -0.0001511000000000, 0.0005483900000000 ] - [ 0.0002212100000000, 0.0001774300000000, 0.0001821400000000 ] - [ -0.0001061500000000, 0.0001309700000000, -0.0002503900000000 ] - [ 0.0000469500000000, -0.0002737300000000, -0.0000976800000000 ] - [ -0.0000219400000000, 0.0000444900000000, -0.0001545600000000 ] - [ 0.0001330700000000, -0.0001848600000000, 0.0011338800000000 ] - [ -0.0003872000000000, 0.0001627100000000, 0.0004038300000000 ] - [ -0.0004426300000000, 0.0003912800000000, 0.0001910800000000 ] - [ -0.0004702400000000, -0.0001608300000000, 0.0003521000000000 ] - [ 0.0004928300000000, -0.0008559800000000, -0.0001080300000000 ] - [ 0.0003014000000000, 0.0003766700000000, 0.0008723700000000 ] - [ 0.0000698600000000, 0.0000456000000000, -0.0001809700000000 ] - [ 0.0001890700000000, 0.0000823900000000, -0.0009091000000000 ] - [ 0.0002245200000000, -0.0001598700000000, -0.0000126600000000 ] - [ 0.0002387400000000, -0.0001623400000000, 0.0001757200000000 ] - [ 0.0002094400000000, 0.0003713700000000, -0.0000634100000000 ] - [ 0.0004994300000000, -0.0000413700000000, 0.0000028900000000 ] - [ -0.0004406100000000, -0.0002172700000000, -0.0002530600000000 ] - [ 0.0001901800000000, 0.0001453600000000, -0.0003550200000000 ] - [ -0.0003155200000000, -0.0000158000000000, -0.0002637100000000 ] - [ 0.0002709400000000, 0.0003623900000000, -0.0002641500000000 ] - [ 0.0002339800000000, 0.0001387700000000, 0.0000269200000000 ] - [ 0.0000924900000000, -0.0000426800000000, -0.0002666100000000 ] - [ 0.0004274000000000, -0.0001262900000000, -0.0006269800000000 ] - [ 0.0000960400000000, -0.0004646000000000, 0.0003874800000000 ] - [ 0.0004014500000000, -0.0001208600000000, -0.0002205400000000 ] - [ 0.0002996700000000, -0.0001521400000000, -0.0002896800000000 ] - [ 0.0000533800000000, 0.0002708200000000, -0.0000890900000000 ] - [ -0.0001313900000000, 0.0003837100000000, -0.0001965200000000 ] - [ 0.0003791200000000, 0.0001121900000000, -0.0001974000000000 ] - [ -0.0000411100000000, 0.0004045200000000, 0.0007492500000000 ] - [ -0.0001264900000000, -0.0004343100000000, 0.0001148300000000 ] - [ -0.0005358800000000, 0.0000737100000000, -0.0007012700000000 ] - [ 0.0002820700000000, 0.0000203200000000, -0.0002315000000000 ] - [ 0.0001587700000000, -0.0004046300000000, -0.0000666600000000 ] - [ -0.0001544600000000, -0.0003665200000000, 0.0008013700000000 ] - [ -0.0001508800000000, 0.0004512700000000, 0.0001265300000000 ] - [ -0.0001116700000000, -0.0000032100000000, -0.0000490000000000 ] - [ 0.0002439500000000, 0.0000424400000000, -0.0003289300000000 ] - [ 0.0002494900000000, -0.0003621900000000, -0.0002694600000000 ] - [ 0.0000931100000000, 0.0004990200000000, 0.0003157800000000 ] - [ -0.0001333000000000, 0.0001212900000000, -0.0000350500000000 ] - [ -0.0000218500000000, -0.0000518300000000, -0.0001773100000000 ] - [ -0.0001877800000000, 0.0000790100000000, -0.0003116700000000 ] - [ -0.0001925700000000, 0.0001606600000000, 0.0005932600000000 ]- atom: 57 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0000367500000000, 0.0000990000000000, 0.0002627800000000 ] - [ -0.0000369000000000, -0.0001495400000000, 0.0015334800000000 ] - [ -0.0010421400000000, -0.0001333200000000, -0.0011925900000000 ] - [ 0.0001148500000000, 0.0000973000000000, -0.0021870800000000 ] - [ -0.0003500200000000, 0.0001254500000000, -0.0003066100000000 ] - [ -0.0006226800000000, -0.0002795500000000, 0.0001168100000000 ] - [ -0.0003886800000000, -0.0001217800000000, -0.0003051200000000 ] - [ -0.0006285200000000, 0.0002792700000000, 0.0001210200000000 ] - [ 0.0000117500000000, 0.0000580100000000, -0.0009392200000000 ] - [ -0.0019749400000000, -0.0000636300000000, 0.0002326300000000 ] - [ 0.0128638600000000, -0.0034359900000000, 0.0110737200000000 ] - [ 0.0035079800000000, -0.0007900000000000, 0.0029054300000000 ] - [ -0.0010295500000000, 0.0000914500000000, -0.0002554600000000 ] - [ -0.0010405600000000, -0.0000408700000000, -0.0005046900000000 ] - [ -0.0012961600000000, 0.0003154900000000, 0.0000994100000000 ] - [ -0.0012833600000000, -0.0003174000000000, 0.0000866800000000 ] - [ 0.0019271100000000, 0.0041332400000000, -0.0056002100000000 ] - [ 0.0040723800000000, -0.0013387700000000, 0.0016370100000000 ] - [ 0.1075876300000000, -0.0144464300000000, -0.1048860100000000 ] - [ -0.0012153100000000, 0.0003555900000000, 0.0008062200000000 ] - [ -0.0049150900000000, -0.0010391200000000, 0.0036976200000000 ] - [ -0.0010540000000000, 0.0002203400000000, 0.0001154600000000 ] - [ -0.0000316500000000, 0.0000079000000000, 0.0004643800000000 ] - [ -0.0012900500000000, -0.0003203200000000, 0.0008105200000000 ] - [ 0.0023651700000000, -0.0002762100000000, -0.0008506700000000 ] - [ -0.0007932100000000, -0.0002611200000000, 0.0003049800000000 ] - [ -0.0009416000000000, 0.0003836600000000, 0.0002418400000000 ] - [ -0.0009470300000000, -0.0003693900000000, 0.0001093300000000 ] - [ -0.0014921000000000, 0.0005211800000000, -0.0008898500000000 ] - [ -0.0004729100000000, 0.0002298000000000, 0.0003981700000000 ] - [ 0.0020352400000000, -0.0000706200000000, 0.0013826100000000 ] - [ -0.0007491900000000, -0.0001945400000000, -0.0006101700000000 ] - [ -0.0008832200000000, -0.0001070300000000, -0.0001104900000000 ] - [ -0.0002147600000000, -0.0007372800000000, 0.0003140000000000 ] - [ -0.0002311200000000, 0.0007353500000000, 0.0002951900000000 ] - [ -0.0002675800000000, 0.0016506400000000, 0.0034373700000000 ] - [ -0.0010429100000000, -0.0002156400000000, -0.0001284600000000 ] - [ -0.0005070100000000, 0.0000111500000000, -0.0005136600000000 ] - [ -0.0006001100000000, -0.0003288300000000, -0.0001646500000000 ] - [ -0.0024530900000000, -0.0024648000000000, -0.0026778500000000 ] - [ -0.0010111500000000, 0.0002058000000000, -0.0000754800000000 ] - [ -0.0011631600000000, -0.0001830800000000, -0.0002197300000000 ] - [ 0.0005778400000000, 0.0007341500000000, -0.0004887800000000 ] - [ -0.0025574500000000, -0.0008877900000000, 0.0015952700000000 ] - [ -0.0008327700000000, 0.0003469900000000, -0.0003672000000000 ] - [ -0.0002354500000000, 0.0002208900000000, 0.0007348700000000 ] - [ -0.0008658500000000, 0.0001065000000000, -0.0001076800000000 ] - [ -0.0012909700000000, -0.0003529500000000, 0.0000673800000000 ] - [ -0.0012866100000000, -0.0000907200000000, -0.0008704700000000 ] - [ -0.0007564000000000, -0.0008190700000000, 0.0004044200000000 ] - [ 0.0005654400000000, 0.0000427500000000, 0.0000542200000000 ] - [ 0.0000398100000000, -0.0002366300000000, 0.0005218200000000 ] - [ 0.0007820700000000, -0.0001316700000000, -0.0000007400000000 ] - [ -0.0001438500000000, 0.0028692300000000, -0.0027895800000000 ] - [ 0.0005574900000000, -0.0005545100000000, -0.0002873400000000 ] - [ 0.0002333500000000, -0.0000409100000000, -0.0001381700000000 ] - [ -0.1091307700000000, 0.0260724500000000, 0.0900478500000000 ] - [ 0.0001215800000000, 0.0000146800000000, 0.0005332900000000 ] - [ -0.0128509200000000, -0.0016864000000000, 0.0067867100000000 ] - [ 0.0001142900000000, -0.0000263900000000, 0.0005100000000000 ] - [ -0.0010697000000000, -0.0016346900000000, -0.0005033900000000 ] - [ -0.0086434100000000, 0.0024669700000000, 0.0032453200000000 ] - [ 0.0003969700000000, 0.0001058800000000, 0.0004349700000000 ] - [ -0.0013683800000000, 0.0007037100000000, -0.0016928200000000 ] - [ 0.0004468100000000, -0.0001802100000000, -0.0002698200000000 ] - [ 0.0006644600000000, 0.0000755200000000, 0.0000461000000000 ] - [ 0.0004665600000000, 0.0003137300000000, -0.0001128400000000 ] - [ 0.0008822100000000, 0.0004522300000000, -0.0033076300000000 ] - [ 0.0018064500000000, 0.0001396700000000, 0.0009921300000000 ] - [ -0.0001578700000000, 0.0001297800000000, -0.0005364600000000 ] - [ -0.0007538800000000, 0.0003686200000000, 0.0006118200000000 ] - [ 0.0009685000000000, 0.0005314400000000, -0.0001216000000000 ] - [ 0.0006977800000000, -0.0002005000000000, 0.0002913800000000 ] - [ 0.0003686700000000, -0.0000168700000000, -0.0009061900000000 ] - [ -0.0005586000000000, -0.0002364700000000, -0.0006705000000000 ] - [ 0.0004371900000000, -0.0003361300000000, 0.0003114200000000 ] - [ 0.0009008400000000, -0.0002970100000000, -0.0003714700000000 ] - [ 0.0015308900000000, -0.0003136400000000, 0.0000150400000000 ] - [ 0.0005166000000000, 0.0005309300000000, -0.0002154000000000 ] - [ 0.0007030200000000, -0.0000751800000000, -0.0009816100000000 ] - [ 0.0007219400000000, 0.0002176900000000, 0.0000551400000000 ] - [ 0.0003536000000000, 0.0005807200000000, 0.0008449500000000 ] - [ 0.0003814400000000, -0.0002334400000000, -0.0001438000000000 ] - [ -0.0014860800000000, 0.0003079900000000, -0.0013311500000000 ] - [ 0.0062747300000000, -0.0042120000000000, 0.0002113300000000 ] - [ 0.0004830300000000, -0.0003110900000000, -0.0001220900000000 ] - [ 0.0003768800000000, -0.0005911900000000, 0.0008456600000000 ] - [ -0.0000239400000000, 0.0004992300000000, 0.0002078600000000 ] - [ -0.0022539400000000, -0.0000854700000000, 0.0000942600000000 ] - [ -0.0005235600000000, 0.0003295700000000, -0.0004365900000000 ] - [ 0.0005527800000000, -0.0005106600000000, -0.0001065500000000 ] - [ 0.0004230900000000, 0.0003386100000000, 0.0002982600000000 ] - [ -0.0001723500000000, 0.0001855800000000, -0.0001301000000000 ] - [ 0.0001946400000000, 0.0000094200000000, -0.0002734800000000 ] - [ 0.0007829500000000, 0.0006968300000000, -0.0013226200000000 ] - [ 0.0000684500000000, 0.0002756400000000, 0.0005840000000000 ] - [ -0.0001693100000000, 0.0002016300000000, -0.0003625700000000 ] - [ 0.0002427800000000, -0.0001824100000000, -0.0002906600000000 ] - [ 0.0001364500000000, -0.0001036300000000, 0.0000402900000000 ] - [ -0.0003781500000000, -0.0001773700000000, 0.0004772900000000 ] - [ 0.0009216500000000, -0.0002497100000000, 0.0003456000000000 ] - [ -0.0000349800000000, 0.0000789800000000, -0.0003452800000000 ] - [ -0.0001004100000000, -0.0001357000000000, 0.0003295500000000 ] - [ 0.0004622500000000, -0.0001967700000000, -0.0000481600000000 ] - [ 0.0005628300000000, -0.0000506100000000, 0.0001083100000000 ] - [ 0.0002990200000000, -0.0018171500000000, -0.0016050800000000 ] - [ 0.0003826700000000, 0.0001941200000000, -0.0004645500000000 ] - [ -0.0023752100000000, -0.0000734300000000, 0.0006243100000000 ] - [ 0.0006584200000000, -0.0005617700000000, 0.0004143200000000 ] - [ 0.0006603000000000, 0.0005596200000000, 0.0004199900000000 ] - [ 0.0003593000000000, 0.0000493900000000, -0.0002700800000000 ] - [ 0.0003770300000000, -0.0001904400000000, -0.0004674000000000 ] - [ 0.0004600100000000, 0.0000050100000000, 0.0000811800000000 ] - [ 0.0003754900000000, -0.0002142100000000, -0.0002410000000000 ] - [ 0.0003546400000000, -0.0000679300000000, -0.0020772900000000 ] - [ 0.0009263500000000, -0.0000139400000000, 0.0001813900000000 ] - [ -0.0001580900000000, -0.0002035000000000, -0.0003625900000000 ] - [ 0.0007615700000000, 0.0001680200000000, -0.0001821800000000 ] - [ 0.0002193700000000, -0.0002473800000000, -0.0003633400000000 ] - [ 0.0009627100000000, 0.0006502300000000, 0.0000922100000000 ] - [ 0.0006720400000000, -0.0000184300000000, -0.0000482200000000 ] - [ 0.0003150300000000, -0.0000518200000000, -0.0002541400000000 ] - [ 0.0005572700000000, 0.0000481400000000, 0.0001069900000000 ] - [ 0.0034978200000000, 0.0015688900000000, -0.0003387700000000 ] - [ 0.0006991300000000, -0.0002111500000000, -0.0001279300000000 ] - [ 0.0008560500000000, -0.0001819800000000, -0.0001220000000000 ] - [ 0.0009799500000000, 0.0010441700000000, -0.0008190000000000 ] - [ 0.0002349000000000, 0.0001838100000000, -0.0002688400000000 ] - [ 0.0009253300000000, 0.0003075000000000, -0.0002272900000000 ] - [ -0.0013290700000000, -0.0002274400000000, -0.0000870100000000 ] - [ 0.0000894700000000, -0.0004067000000000, 0.0001567400000000 ] - [ -0.0000396600000000, -0.0000767200000000, -0.0003508700000000 ] - [ 0.0006064200000000, 0.0001307900000000, -0.0003573400000000 ] - [ 0.0005553600000000, -0.0002558500000000, 0.0049554000000000 ] - [ 0.0029680500000000, -0.0082513900000000, 0.0033243600000000 ] - [ 0.0002707100000000, 0.0002991000000000, -0.0000861300000000 ] - [ 0.0009205300000000, 0.0000160700000000, 0.0001689300000000 ] - [ 0.0005969700000000, -0.0001293200000000, -0.0003590600000000 ] - [ 0.0005540200000000, -0.0003896500000000, -0.0003017000000000 ] - [ -0.0007032200000000, 0.0011871700000000, -0.0006915700000000 ] - [ 0.0000983800000000, 0.0001212200000000, -0.0000497500000000 ] - [ 0.0000454700000000, -0.0001103800000000, -0.0003440500000000 ] - [ 0.0002037400000000, 0.0002392500000000, -0.0003319500000000 ] - [ 0.0006095700000000, 0.0003025600000000, 0.0006509000000000 ]- atom: 57 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0000093000000000, 0.0001380700000000, -0.0008609600000000 ] - [ -0.0006469200000000, -0.0003695400000000, -0.0012005100000000 ] - [ 0.0010117200000000, -0.0001051300000000, 0.0005944800000000 ] - [ -0.0008007000000000, 0.0004210000000000, 0.0025130200000000 ] - [ 0.0003212600000000, 0.0001112300000000, -0.0002908700000000 ] - [ -0.0000623900000000, -0.0002388800000000, 0.0002156800000000 ] - [ 0.0003603400000000, -0.0001155800000000, -0.0002923500000000 ] - [ -0.0000565100000000, 0.0002385600000000, 0.0002114000000000 ] - [ 0.0002104100000000, 0.0002459400000000, 0.0002380300000000 ] - [ 0.0022002700000000, -0.0002400900000000, -0.0009317200000000 ] - [ -0.0129102700000000, 0.0039200800000000, -0.0108734000000000 ] - [ -0.0037051900000000, 0.0002827100000000, -0.0027040600000000 ] - [ 0.0012532100000000, 0.0002122100000000, -0.0004456900000000 ] - [ 0.0012631700000000, -0.0002627500000000, -0.0001949500000000 ] - [ 0.0011127300000000, 0.0001932400000000, 0.0001010500000000 ] - [ 0.0010998800000000, -0.0001918100000000, 0.0001137100000000 ] - [ -0.0019818800000000, -0.0042147600000000, 0.0055235900000000 ] - [ -0.0028449900000000, -0.0002731200000000, -0.0008264300000000 ] - [ -0.1080811300000000, 0.0166731100000000, 0.1096496200000000 ] - [ 0.0006478500000000, 0.0007942400000000, 0.0008602100000000 ] - [ 0.0057626000000000, 0.0010012800000000, -0.0040061700000000 ] - [ 0.0011657500000000, -0.0000529400000000, -0.0005830400000000 ] - [ 0.0004346300000000, -0.0001682500000000, -0.0006672800000000 ] - [ 0.0007224000000000, -0.0008294700000000, 0.0008557300000000 ] - [ -0.0015334000000000, 0.0003257600000000, 0.0005173900000000 ] - [ 0.0014918400000000, -0.0001782200000000, 0.0000733900000000 ] - [ 0.0010128900000000, 0.0003091800000000, -0.0002870200000000 ] - [ 0.0010180300000000, -0.0003233000000000, -0.0001540000000000 ] - [ 0.0018947700000000, -0.0003616400000000, 0.0006903300000000 ] - [ 0.0011713000000000, 0.0002096300000000, -0.0000207600000000 ] - [ -0.0020569400000000, 0.0001696800000000, -0.0014848200000000 ] - [ 0.0008599300000000, 0.0000267900000000, 0.0001427800000000 ] - [ 0.0008612600000000, 0.0000063500000000, 0.0000130400000000 ] - [ 0.0014757000000000, -0.0008788400000000, 0.0005136100000000 ] - [ 0.0014917800000000, 0.0008805300000000, 0.0005324100000000 ] - [ -0.0002983400000000, -0.0005169700000000, -0.0018007600000000 ] - [ 0.0018739900000000, 0.0001661600000000, -0.0002011700000000 ] - [ 0.0006145300000000, 0.0001576300000000, 0.0000468500000000 ] - [ 0.0010024700000000, 0.0001686400000000, -0.0000380200000000 ] - [ 0.0018652800000000, 0.0013330700000000, 0.0044145400000000 ] - [ 0.0018422700000000, -0.0001562800000000, -0.0002544200000000 ] - [ 0.0018630400000000, -0.0002559300000000, 0.0006084600000000 ] - [ -0.0005197400000000, -0.0000428400000000, 0.0004412400000000 ] - [ 0.0026472000000000, 0.0002119100000000, -0.0016578500000000 ] - [ 0.0012368500000000, -0.0001873200000000, 0.0001673500000000 ] - [ 0.0009330600000000, 0.0002194900000000, -0.0003627400000000 ] - [ 0.0008435600000000, -0.0000059600000000, 0.0000104300000000 ] - [ 0.0014070200000000, 0.0001863700000000, -0.0005355200000000 ] - [ 0.0002418400000000, 0.0003604600000000, 0.0001781400000000 ] - [ 0.0001871400000000, -0.0001175100000000, -0.0007250800000000 ] - [ -0.0008960800000000, -0.0002784000000000, -0.0000990300000000 ] - [ -0.0005148900000000, -0.0000368000000000, 0.0006263800000000 ] - [ -0.0005063600000000, 0.0005736500000000, 0.0004159600000000 ] - [ -0.0007070600000000, -0.0028187800000000, 0.0017823500000000 ] - [ -0.0006389600000000, 0.0001110200000000, 0.0001618200000000 ] - [ -0.0003642400000000, 0.0001638900000000, -0.0001782700000000 ] - [ 0.1108573300000000, -0.0267069000000000, -0.0934985000000000 ] - [ -0.0011795900000000, 0.0003623800000000, 0.0001707700000000 ] - [ 0.0129212500000000, 0.0018778900000000, -0.0078484200000000 ] - [ -0.0011726700000000, -0.0003503600000000, 0.0001942000000000 ] - [ 0.0017423500000000, 0.0003480200000000, 0.0013324700000000 ] - [ 0.0094247800000000, -0.0012386300000000, -0.0025336600000000 ] - [ -0.0003307700000000, -0.0000193700000000, -0.0008650200000000 ] - [ 0.0012802400000000, -0.0008506700000000, 0.0007512600000000 ] - [ -0.0001133900000000, -0.0001783000000000, 0.0002805700000000 ] - [ -0.0003885100000000, -0.0005174200000000, 0.0003691400000000 ] - [ -0.0002051200000000, 0.0004884200000000, 0.0000011500000000 ] - [ -0.0006846600000000, -0.0004982100000000, 0.0031613400000000 ] - [ -0.0028046900000000, -0.0003922300000000, -0.0016773100000000 ] - [ 0.0004389500000000, 0.0001549500000000, -0.0001703000000000 ] - [ 0.0000787600000000, -0.0003991600000000, -0.0011593200000000 ] - [ -0.0006404900000000, 0.0001332900000000, -0.0004720800000000 ] - [ -0.0003643000000000, 0.0005596400000000, -0.0002810100000000 ] - [ -0.0003042300000000, -0.0000694800000000, 0.0004775400000000 ] - [ 0.0010391600000000, 0.0001867800000000, 0.0010154600000000 ] - [ -0.0003733700000000, -0.0006804800000000, 0.0004115300000000 ] - [ -0.0002799100000000, 0.0001197100000000, -0.0000578300000000 ] - [ -0.0012537400000000, 0.0000284400000000, -0.0007251800000000 ] - [ -0.0005979100000000, -0.0000876800000000, 0.0000897200000000 ] - [ -0.0012756600000000, 0.0010146000000000, 0.0006572400000000 ] - [ -0.0000999400000000, -0.0000400200000000, -0.0004846300000000 ] - [ -0.0007214900000000, 0.0001171900000000, 0.0006778500000000 ] - [ -0.0007807100000000, -0.0006853400000000, 0.0004193900000000 ] - [ 0.0006406000000000, -0.0003609000000000, 0.0003562600000000 ] - [ -0.0057610200000000, 0.0040839400000000, -0.0007349400000000 ] - [ -0.0002214900000000, -0.0004910300000000, 0.0000104200000000 ] - [ -0.0007446200000000, -0.0001069900000000, 0.0006769100000000 ] - [ -0.0003751000000000, 0.0004192000000000, 0.0000678800000000 ] - [ 0.0024668500000000, 0.0001319900000000, -0.0002116400000000 ] - [ 0.0009076900000000, -0.0002408600000000, -0.0000854400000000 ] - [ -0.0002239600000000, -0.0001544000000000, -0.0004863200000000 ] - [ -0.0003592700000000, 0.0006782000000000, 0.0004243200000000 ] - [ -0.0001589900000000, 0.0000500100000000, 0.0000866600000000 ] - [ -0.0003256200000000, -0.0001322600000000, -0.0000423400000000 ] - [ -0.0014612100000000, -0.0006682600000000, 0.0007717500000000 ] - [ -0.0005433400000000, -0.0000027400000000, 0.0005638300000000 ] - [ -0.0008746000000000, 0.0000676700000000, -0.0003309700000000 ] - [ -0.0008123600000000, -0.0007546600000000, -0.0000306600000000 ] - [ -0.0004670900000000, -0.0001319300000000, -0.0000844000000000 ] - [ -0.0000944200000000, -0.0000973100000000, 0.0006741300000000 ] - [ -0.0006398600000000, 0.0006862900000000, 0.0000638900000000 ] - [ -0.0008091800000000, -0.0000253900000000, -0.0006291400000000 ] - [ 0.0000231100000000, -0.0003102500000000, -0.0004576100000000 ] - [ -0.0005956700000000, 0.0003220300000000, -0.0002718300000000 ] - [ -0.0000856400000000, 0.0001001100000000, 0.0002289700000000 ] - [ -0.0013627400000000, 0.0022187900000000, 0.0023244600000000 ] - [ -0.0004785800000000, -0.0000772700000000, -0.0005070800000000 ] - [ 0.0013317300000000, -0.0003036000000000, 0.0000834000000000 ] - [ 0.0000058100000000, -0.0007424000000000, 0.0003982200000000 ] - [ 0.0000040600000000, 0.0007445600000000, 0.0003923100000000 ] - [ -0.0002941100000000, 0.0000371600000000, -0.0001600200000000 ] - [ -0.0004726800000000, 0.0000735000000000, -0.0005041200000000 ] - [ -0.0001256700000000, -0.0003636000000000, -0.0000703800000000 ] - [ -0.0000997200000000, -0.0002269000000000, 0.0006596700000000 ] - [ -0.0000950800000000, 0.0008625400000000, 0.0019998400000000 ] - [ -0.0007167100000000, -0.0000323900000000, -0.0003037600000000 ] - [ -0.0008859000000000, -0.0000657500000000, -0.0003315000000000 ] - [ -0.0004814300000000, 0.0001167300000000, -0.0005254900000000 ] - [ -0.0008951800000000, 0.0002167200000000, -0.0001859200000000 ] - [ -0.0006344100000000, 0.0000139100000000, -0.0006870800000000 ] - [ -0.0003396300000000, 0.0003779000000000, 0.0000576000000000 ] - [ -0.0002498300000000, -0.0000345900000000, -0.0001751200000000 ] - [ -0.0000799700000000, -0.0000974800000000, 0.0002303300000000 ] - [ -0.0035197300000000, -0.0026497700000000, 0.0010841200000000 ] - [ -0.0000767000000000, 0.0000333500000000, -0.0003015100000000 ] - [ -0.0005769000000000, -0.0001025700000000, -0.0005862400000000 ] - [ -0.0010668000000000, -0.0006069500000000, 0.0006979200000000 ] - [ -0.0008042800000000, 0.0007530500000000, -0.0000526100000000 ] - [ -0.0003052800000000, -0.0001304800000000, -0.0002021400000000 ] - [ 0.0009718500000000, 0.0009333100000000, 0.0016150900000000 ] - [ -0.0004876200000000, -0.0005116300000000, 0.0001182200000000 ] - [ -0.0008046300000000, 0.0000233500000000, -0.0006234800000000 ] - [ -0.0002208200000000, -0.0002184900000000, -0.0001659900000000 ] - [ -0.0002649300000000, -0.0005318200000000, -0.0051095400000000 ] - [ -0.0033387100000000, 0.0076879800000000, -0.0018508400000000 ] - [ -0.0006707100000000, 0.0006197500000000, 0.0003623200000000 ] - [ -0.0007103100000000, 0.0000308000000000, -0.0002917500000000 ] - [ -0.0002114900000000, 0.0002169300000000, -0.0001646500000000 ] - [ -0.0002246100000000, -0.0002762700000000, -0.0002898500000000 ] - [ 0.0007731600000000, -0.0001758800000000, 0.0014264900000000 ] - [ -0.0004295100000000, 0.0001145300000000, 0.0000062300000000 ] - [ -0.0001754700000000, -0.0000111100000000, 0.0000305800000000 ] - [ -0.0008793400000000, -0.0002085300000000, -0.0002175300000000 ] - [ -0.0010889000000000, -0.0000376600000000, 0.0004876000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000842700000000, 0.0001243300000000, -0.0003937400000000 ] - [ -0.0005683700000000, -0.0003096300000000, -0.0000071300000000 ] - [ 0.0003790400000000, -0.0000620600000000, -0.0000166700000000 ] - [ -0.0006872100000000, 0.0005356300000000, 0.0006402900000000 ] - [ 0.0000680800000000, 0.0001182900000000, -0.0002920000000000 ] - [ -0.0002770400000000, -0.0002544700000000, 0.0001783900000000 ] - [ 0.0000632500000000, -0.0001156300000000, -0.0003033500000000 ] - [ -0.0002785600000000, 0.0002548100000000, 0.0001752300000000 ] - [ 0.0001890900000000, 0.0001762800000000, -0.0001188300000000 ] - [ 0.0004154300000000, -0.0001542800000000, -0.0005965600000000 ] - [ -0.0048812000000000, 0.0090688500000000, -0.0125645100000000 ] - [ -0.0005404100000000, -0.0035723300000000, 0.0007822700000000 ] - [ 0.0003296900000000, 0.0001574500000000, -0.0003499900000000 ] - [ 0.0004196000000000, -0.0001848600000000, -0.0003234700000000 ] - [ 0.0001847300000000, 0.0002406900000000, 0.0000987700000000 ] - [ 0.0001791600000000, -0.0002400900000000, 0.0001036400000000 ] - [ 0.0022497900000000, -0.0097027900000000, -0.0041396600000000 ] - [ 0.0010682200000000, -0.0007475800000000, 0.0009585700000000 ] - [ -0.0201941500000000, 0.0328570100000000, 0.0308921300000000 ] - [ -0.0000722700000000, 0.0006260900000000, 0.0008426800000000 ] - [ 0.0004419400000000, 0.0004210600000000, -0.0019990100000000 ] - [ 0.0002720600000000, 0.0000733400000000, -0.0003206000000000 ] - [ 0.0002290400000000, -0.0000833600000000, -0.0001399900000000 ] - [ -0.0000557600000000, -0.0006340500000000, 0.0008326600000000 ] - [ 0.0000624100000000, 0.0000452800000000, 0.0004970000000000 ] - [ 0.0006061800000000, -0.0002121500000000, 0.0001381200000000 ] - [ 0.0002518000000000, 0.0003376900000000, -0.0000779300000000 ] - [ 0.0002664000000000, -0.0003357700000000, -0.0000555100000000 ] - [ 0.0006747100000000, -0.0000073800000000, -0.0000362700000000 ] - [ 0.0005376000000000, 0.0002122200000000, 0.0001622900000000 ] - [ -0.0006466200000000, 0.0002341700000000, -0.0000269500000000 ] - [ 0.0002756000000000, -0.0000454700000000, -0.0001336400000000 ] - [ 0.0001883700000000, -0.0000374000000000, -0.0000362900000000 ] - [ 0.0008226500000000, -0.0008245200000000, 0.0004385500000000 ] - [ 0.0008277700000000, 0.0008250500000000, 0.0004398800000000 ] - [ -0.0002006700000000, 0.0003241800000000, 0.0008554500000000 ] - [ 0.0007567400000000, 0.0000192700000000, -0.0001825200000000 ] - [ 0.0003351500000000, 0.0000543500000000, -0.0000721700000000 ] - [ 0.0003983400000000, -0.0000117700000000, -0.0000183100000000 ] - [ -0.0008960900000000, -0.0073251800000000, -0.0016713700000000 ] - [ 0.0007344300000000, -0.0000145400000000, -0.0001756900000000 ] - [ 0.0007681300000000, -0.0001491000000000, -0.0004958500000000 ] - [ 0.0004136700000000, 0.0006391400000000, 0.0005742700000000 ] - [ -0.0004298900000000, -0.0011012100000000, 0.0004628000000000 ] - [ 0.0004246300000000, 0.0000280100000000, -0.0001136800000000 ] - [ 0.0003898900000000, 0.0001683800000000, 0.0003572900000000 ] - [ 0.0001846700000000, 0.0000377600000000, -0.0000318000000000 ] - [ 0.0001124100000000, -0.0000540900000000, -0.0003889200000000 ] - [ -0.0002333500000000, 0.0001897400000000, -0.0002593000000000 ] - [ -0.0002333100000000, -0.0004289800000000, -0.0003647400000000 ] - [ -0.0003711300000000, -0.0001457600000000, 0.0000360600000000 ] - [ -0.0002999300000000, -0.0001119000000000, 0.0005814400000000 ] - [ -0.0000072000000000, 0.0003020700000000, 0.0002577500000000 ] - [ 0.0021612500000000, 0.0048290800000000, 0.0004053900000000 ] - [ -0.0001698900000000, -0.0001513200000000, -0.0000112000000000 ] - [ -0.0001379500000000, 0.0000816800000000, -0.0001495300000000 ] - [ 0.0265154200000000, -0.0567187000000000, -0.0000909800000000 ] - [ -0.0006803300000000, 0.0002277400000000, 0.0003102100000000 ] - [ -0.0035710400000000, 0.0033205000000000, 0.0082366300000000 ] - [ -0.0006737500000000, -0.0002228100000000, 0.0003169300000000 ] - [ 0.0003187200000000, -0.0018434100000000, -0.0004770200000000 ] - [ 0.0077450100000000, 0.0033232200000000, -0.0197024800000000 ] - [ -0.0001497400000000, 0.0000385800000000, -0.0003504800000000 ] - [ 0.0002031100000000, 0.0006172200000000, -0.0010646400000000 ] - [ 0.0001114200000000, -0.0001828000000000, 0.0000582900000000 ] - [ 0.0000196000000000, -0.0002859700000000, 0.0002388400000000 ] - [ 0.0000534400000000, 0.0004209000000000, -0.0000451200000000 ] - [ 0.0011822000000000, -0.0003196000000000, 0.0007833700000000 ] - [ -0.0024840100000000, 0.0023868000000000, 0.0003269700000000 ] - [ 0.0001597300000000, 0.0001462000000000, -0.0003748300000000 ] - [ -0.0003029000000000, -0.0000602400000000, -0.0005993500000000 ] - [ -0.0000021600000000, 0.0002860700000000, -0.0003176000000000 ] - [ 0.0000320400000000, 0.0002690100000000, -0.0000532600000000 ] - [ 0.0000090000000000, -0.0000518800000000, -0.0001152400000000 ] - [ 0.0004498000000000, -0.0000952200000000, -0.0002049000000000 ] - [ -0.0000611300000000, -0.0005465900000000, 0.0003765700000000 ] - [ 0.0002192600000000, -0.0000559300000000, -0.0001834700000000 ] - [ -0.0001344000000000, -0.0000631200000000, -0.0002725600000000 ] - [ -0.0001773300000000, 0.0001439500000000, -0.0000266100000000 ] - [ -0.0002880100000000, 0.0005035700000000, 0.0001008100000000 ] - [ 0.0001821200000000, 0.0000469800000000, -0.0002875300000000 ] - [ -0.0003063000000000, 0.0002964400000000, 0.0007434700000000 ] - [ -0.0003177700000000, -0.0005018100000000, 0.0002269700000000 ] - [ -0.0000974800000000, -0.0000789000000000, -0.0000931900000000 ] - [ -0.0020595200000000, 0.0012180500000000, 0.0002358000000000 ] - [ 0.0000490300000000, -0.0004224700000000, -0.0000410500000000 ] - [ -0.0003123600000000, -0.0002934100000000, 0.0007450600000000 ] - [ -0.0002454900000000, 0.0004520300000000, 0.0001011600000000 ] - [ 0.0003453600000000, 0.0001619800000000, -0.0004125300000000 ] - [ 0.0005044800000000, -0.0001412100000000, -0.0003806400000000 ] - [ 0.0000649000000000, -0.0002897900000000, -0.0003551500000000 ] - [ -0.0000566600000000, 0.0005468300000000, 0.0003741900000000 ] - [ -0.0001551700000000, 0.0001127200000000, -0.0000382400000000 ] - [ -0.0001211700000000, -0.0000788300000000, -0.0001411900000000 ] - [ -0.0004016800000000, -0.0001813500000000, 0.0000898800000000 ] - [ -0.0003090000000000, 0.0001044300000000, 0.0005725300000000 ] - [ -0.0006038900000000, 0.0001197100000000, -0.0003450600000000 ] - [ -0.0003997000000000, -0.0005316700000000, -0.0001337100000000 ] - [ -0.0002332200000000, -0.0001110300000000, -0.0000133800000000 ] - [ -0.0002675000000000, -0.0000691000000000, 0.0002472500000000 ] - [ -0.0008346700000000, 0.0011968300000000, 0.0005384000000000 ] - [ -0.0005107800000000, 0.0000162500000000, -0.0005183300000000 ] - [ -0.0002329600000000, -0.0002251600000000, -0.0002448600000000 ] - [ -0.0000303800000000, -0.0000572700000000, 0.0000561600000000 ] - [ 0.0001645400000000, 0.0000412100000000, 0.0001850200000000 ] - [ -0.0006081200000000, 0.0006894400000000, 0.0005231300000000 ] - [ -0.0001459000000000, 0.0000271400000000, -0.0004916500000000 ] - [ -0.0012830500000000, -0.0000641600000000, -0.0001267300000000 ] - [ 0.0002576000000000, -0.0006732300000000, 0.0004026400000000 ] - [ 0.0002576800000000, 0.0006733000000000, 0.0004024400000000 ] - [ -0.0000433200000000, 0.0000488900000000, -0.0001834500000000 ] - [ -0.0001442100000000, -0.0000273600000000, -0.0004922800000000 ] - [ 0.0000732900000000, -0.0002337600000000, -0.0000876500000000 ] - [ 0.0001975100000000, -0.0001772700000000, 0.0001413200000000 ] - [ 0.0003776800000000, 0.0001144100000000, 0.0000190100000000 ] - [ -0.0000856000000000, -0.0000258000000000, -0.0001179400000000 ] - [ -0.0006045200000000, -0.0001193900000000, -0.0003412100000000 ] - [ -0.0000076000000000, 0.0001290100000000, -0.0004091300000000 ] - [ -0.0004572200000000, 0.0000344100000000, -0.0002600400000000 ] - [ -0.0000735400000000, 0.0002417300000000, -0.0003570900000000 ] - [ 0.0000657900000000, 0.0002124600000000, 0.0001590600000000 ] - [ -0.0000334400000000, -0.0000366700000000, -0.0002256300000000 ] - [ 0.0001671300000000, -0.0000403200000000, 0.0001828600000000 ] - [ 0.0041396500000000, 0.0015394400000000, -0.0003701700000000 ] - [ 0.0001766000000000, -0.0000472500000000, -0.0002521400000000 ] - [ -0.0000230300000000, -0.0001440300000000, -0.0003905600000000 ] - [ 0.0000239100000000, 0.0003832100000000, -0.0000795700000000 ] - [ -0.0004103200000000, 0.0005372900000000, -0.0001331800000000 ] - [ 0.0002468300000000, 0.0000550000000000, -0.0001986400000000 ] - [ 0.0001178200000000, 0.0005564200000000, 0.0005706700000000 ] - [ -0.0002963200000000, -0.0004660300000000, 0.0001413000000000 ] - [ -0.0005075500000000, -0.0000148800000000, -0.0005202200000000 ] - [ 0.0000974400000000, -0.0000850800000000, -0.0002376200000000 ] - [ 0.0038323900000000, 0.0025095000000000, 0.0015753300000000 ] - [ -0.0129269800000000, 0.0145747600000000, -0.0016156600000000 ] - [ -0.0002672300000000, 0.0004894900000000, 0.0001880000000000 ] - [ -0.0000752200000000, 0.0000259700000000, -0.0001140900000000 ] - [ 0.0001008900000000, 0.0000826300000000, -0.0002421900000000 ] - [ 0.0000926700000000, -0.0003038200000000, -0.0003356600000000 ] - [ 0.0000662900000000, 0.0005799300000000, 0.0000731200000000 ] - [ -0.0002278100000000, 0.0001246800000000, -0.0000355000000000 ] - [ -0.0000973800000000, -0.0001107200000000, -0.0002601900000000 ] - [ -0.0004706200000000, -0.0000402200000000, -0.0002575400000000 ] - [ -0.0002275800000000, 0.0004476900000000, 0.0009320100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000553500000000, 0.0001125200000000, -0.0002001400000000 ] - [ -0.0001149000000000, -0.0002089200000000, 0.0003479100000000 ] - [ -0.0004151000000000, -0.0001783000000000, -0.0005870200000000 ] - [ 0.0000172300000000, -0.0000143600000000, -0.0003128900000000 ] - [ -0.0000991700000000, 0.0001184000000000, -0.0003054400000000 ] - [ -0.0004096700000000, -0.0002642300000000, 0.0001536500000000 ] - [ -0.0000944200000000, -0.0001217000000000, -0.0002944300000000 ] - [ -0.0004082500000000, 0.0002632600000000, 0.0001566800000000 ] - [ 0.0000335900000000, 0.0001270100000000, -0.0005862100000000 ] - [ -0.0002059500000000, -0.0001491000000000, -0.0000992700000000 ] - [ 0.0047152900000000, -0.0086207100000000, 0.0125306200000000 ] - [ 0.0003790300000000, 0.0030582100000000, -0.0005368900000000 ] - [ -0.0001154300000000, 0.0001453600000000, -0.0003505000000000 ] - [ -0.0002034300000000, -0.0001184500000000, -0.0003768700000000 ] - [ -0.0003753300000000, 0.0002685300000000, 0.0001012500000000 ] - [ -0.0003697600000000, -0.0002696400000000, 0.0000962500000000 ] - [ -0.0023037400000000, 0.0095406400000000, 0.0040791600000000 ] - [ 0.0001973300000000, -0.0008694100000000, -0.0001151100000000 ] - [ 0.0219017500000000, -0.0316305200000000, -0.0305868300000000 ] - [ -0.0005019200000000, 0.0005231700000000, 0.0008228700000000 ] - [ 0.0003702800000000, -0.0004710900000000, 0.0016892600000000 ] - [ -0.0001674900000000, 0.0000957400000000, -0.0001440300000000 ] - [ 0.0001729700000000, -0.0000754200000000, -0.0000571300000000 ] - [ -0.0005191600000000, -0.0005151100000000, 0.0008325400000000 ] - [ 0.0007859900000000, 0.0000005400000000, -0.0008308500000000 ] - [ 0.0000840800000000, -0.0002254000000000, 0.0002404400000000 ] - [ -0.0001866500000000, 0.0003535800000000, 0.0000350400000000 ] - [ -0.0002015100000000, -0.0003552900000000, 0.0000120100000000 ] - [ -0.0002841300000000, 0.0001712800000000, -0.0001701500000000 ] - [ 0.0001548200000000, 0.0002249300000000, 0.0002165500000000 ] - [ 0.0006363200000000, -0.0001350500000000, -0.0000570500000000 ] - [ -0.0001688900000000, -0.0001235500000000, -0.0003361600000000 ] - [ -0.0002152700000000, -0.0000636500000000, -0.0000606900000000 ] - [ 0.0004329700000000, -0.0007915900000000, 0.0003887500000000 ] - [ 0.0004274700000000, 0.0007907300000000, 0.0003871900000000 ] - [ -0.0003838200000000, 0.0008347500000000, 0.0008360100000000 ] - [ 0.0000662900000000, -0.0000702700000000, -0.0001476900000000 ] - [ -0.0002275600000000, 0.0001144700000000, -0.0003921800000000 ] - [ -0.0000013900000000, -0.0001496200000000, -0.0001829300000000 ] - [ 0.0003160500000000, 0.0061793100000000, 0.0033112900000000 ] - [ 0.0000879800000000, 0.0000655300000000, -0.0001541300000000 ] - [ -0.0000727600000000, -0.0002896900000000, 0.0008618300000000 ] - [ -0.0003442700000000, 0.0000522900000000, -0.0006077600000000 ] - [ 0.0004693200000000, 0.0004194500000000, -0.0005229800000000 ] - [ -0.0000273900000000, 0.0001334800000000, -0.0000897500000000 ] - [ 0.0002982000000000, 0.0002682100000000, 0.0000268700000000 ] - [ -0.0002115800000000, 0.0000631700000000, -0.0000652300000000 ] - [ -0.0000106900000000, -0.0001166000000000, -0.0000809300000000 ] - [ -0.0008158900000000, 0.0000785100000000, -0.0004384700000000 ] - [ -0.0003421100000000, -0.0005115100000000, 0.0000471900000000 ] - [ 0.0000447600000000, -0.0000887700000000, -0.0000783900000000 ] - [ -0.0001739000000000, -0.0001610700000000, 0.0005646500000000 ] - [ 0.0002879000000000, 0.0001368100000000, 0.0001548800000000 ] - [ -0.0029796500000000, -0.0047423800000000, -0.0014371900000000 ] - [ 0.0000911100000000, -0.0002935700000000, -0.0001148700000000 ] - [ 0.0000085600000000, 0.0000397800000000, -0.0001651900000000 ] - [ -0.0262601800000000, 0.0571330900000000, 0.0009671000000000 ] - [ -0.0003744700000000, 0.0001469700000000, 0.0003949600000000 ] - [ 0.0034084300000000, -0.0032576300000000, -0.0090570500000000 ] - [ -0.0003814500000000, -0.0001517500000000, 0.0003882000000000 ] - [ 0.0003399700000000, 0.0005314200000000, 0.0012810600000000 ] - [ -0.0070674200000000, -0.0020359500000000, 0.0207068800000000 ] - [ 0.0002172300000000, 0.0000475900000000, -0.0000757800000000 ] - [ -0.0003046700000000, -0.0007396500000000, 0.0000908200000000 ] - [ 0.0002235500000000, -0.0001768400000000, -0.0000505100000000 ] - [ 0.0002604600000000, -0.0001532800000000, 0.0001740600000000 ] - [ 0.0002088400000000, 0.0003810100000000, -0.0000681200000000 ] - [ -0.0009683300000000, 0.0002787000000000, -0.0009262300000000 ] - [ 0.0015108200000000, -0.0027014700000000, -0.0010217700000000 ] - [ 0.0001164100000000, 0.0001390500000000, -0.0003343800000000 ] - [ -0.0003778000000000, 0.0000338900000000, 0.0000578100000000 ] - [ 0.0003359400000000, 0.0003789400000000, -0.0002749700000000 ] - [ 0.0003047800000000, 0.0000881300000000, 0.0000652000000000 ] - [ 0.0000575700000000, -0.0000341900000000, -0.0003206200000000 ] - [ 0.0000262100000000, 0.0000441500000000, 0.0005304000000000 ] - [ 0.0001272000000000, -0.0004684400000000, 0.0003469700000000 ] - [ 0.0004062900000000, -0.0001229000000000, -0.0002487000000000 ] - [ 0.0004228400000000, -0.0002239600000000, -0.0004338600000000 ] - [ 0.0000982100000000, 0.0003003300000000, -0.0000990300000000 ] - [ -0.0002760800000000, 0.0004294300000000, -0.0004278100000000 ] - [ 0.0004422700000000, 0.0001312700000000, -0.0001415400000000 ] - [ -0.0000588000000000, 0.0004027100000000, 0.0007815200000000 ] - [ -0.0000768100000000, -0.0004151100000000, 0.0000480400000000 ] - [ -0.0007535500000000, 0.0000286700000000, -0.0008895800000000 ] - [ 0.0024581100000000, -0.0012914000000000, -0.0007616200000000 ] - [ 0.0002134800000000, -0.0003794300000000, -0.0000722100000000 ] - [ -0.0000524500000000, -0.0004061800000000, 0.0007796700000000 ] - [ -0.0001522300000000, 0.0004666300000000, 0.0001764000000000 ] - [ -0.0001547000000000, -0.0001137500000000, 0.0002887000000000 ] - [ -0.0001240300000000, 0.0002309200000000, -0.0001451100000000 ] - [ 0.0002660000000000, -0.0003753700000000, -0.0002368600000000 ] - [ 0.0001226400000000, 0.0004683800000000, 0.0003487800000000 ] - [ -0.0001764800000000, 0.0001228600000000, -0.0000053400000000 ] - [ -0.0000085600000000, -0.0000428400000000, -0.0001741400000000 ] - [ -0.0002691000000000, 0.0002149900000000, -0.0006456500000000 ] - [ -0.0001644200000000, 0.0001683000000000, 0.0005737800000000 ] - [ -0.0004385700000000, 0.0001502500000000, -0.0003487700000000 ] - [ -0.0001676100000000, -0.0004043500000000, -0.0001882700000000 ] - [ -0.0000957100000000, -0.0001237400000000, -0.0000286700000000 ] - [ -0.0002060100000000, -0.0002027100000000, 0.0008926600000000 ] - [ 0.0010984900000000, -0.0007417800000000, -0.0001221200000000 ] - [ -0.0003307900000000, 0.0000378800000000, -0.0004553800000000 ] - [ 0.0001527400000000, -0.0002198000000000, 0.0001168100000000 ] - [ -0.0000984300000000, 0.0001754900000000, -0.0003653700000000 ] - [ 0.0003147600000000, 0.0000071200000000, 0.0001531900000000 ] - [ -0.0004241900000000, -0.0003379900000000, 0.0001693400000000 ] - [ 0.0000527600000000, 0.0000897700000000, -0.0004815100000000 ] - [ 0.0002218400000000, -0.0003113100000000, 0.0008279200000000 ] - [ 0.0004084000000000, -0.0006308600000000, 0.0004087400000000 ] - [ 0.0004084600000000, 0.0006307100000000, 0.0004087500000000 ] - [ 0.0001098600000000, 0.0000377200000000, -0.0002478400000000 ] - [ 0.0000512600000000, -0.0000896800000000, -0.0004807800000000 ] - [ 0.0002624200000000, -0.0001248500000000, 0.0000956200000000 ] - [ 0.0000861800000000, -0.0002603100000000, 0.0002691700000000 ] - [ -0.0001056500000000, 0.0006790000000000, -0.0001537700000000 ] - [ 0.0003012000000000, -0.0000210300000000, -0.0000034800000000 ] - [ -0.0004379200000000, -0.0001505800000000, -0.0003530800000000 ] - [ 0.0002909800000000, 0.0001561700000000, -0.0002976500000000 ] - [ -0.0002165700000000, -0.0000657300000000, -0.0002898700000000 ] - [ 0.0004035100000000, 0.0004228500000000, -0.0002351500000000 ] - [ 0.0002700100000000, 0.0001462600000000, -0.0001463600000000 ] - [ 0.0000998600000000, -0.0000495400000000, -0.0002059500000000 ] - [ 0.0003123100000000, -0.0000079100000000, 0.0001554000000000 ] - [ -0.0041120500000000, -0.0025397900000000, 0.0011322300000000 ] - [ 0.0004476500000000, -0.0001311100000000, -0.0001789300000000 ] - [ 0.0003058500000000, -0.0001416300000000, -0.0003156800000000 ] - [ -0.0000970400000000, 0.0000636300000000, -0.0000483500000000 ] - [ -0.0001572000000000, 0.0003986600000000, -0.0001887200000000 ] - [ 0.0003791600000000, 0.0001236600000000, -0.0002316700000000 ] - [ -0.0004869700000000, 0.0001408000000000, 0.0009458800000000 ] - [ -0.0000999300000000, -0.0004515100000000, 0.0001347500000000 ] - [ -0.0003341000000000, -0.0000390400000000, -0.0004534900000000 ] - [ 0.0002898900000000, -0.0000021800000000, -0.0002865000000000 ] - [ -0.0035674000000000, -0.0032750300000000, -0.0017046100000000 ] - [ 0.0123503900000000, -0.0150961900000000, 0.0030575900000000 ] - [ -0.0001282800000000, 0.0004283500000000, 0.0000883400000000 ] - [ 0.0002916900000000, 0.0000213500000000, -0.0000078000000000 ] - [ 0.0002864500000000, 0.0000041600000000, -0.0002824500000000 ] - [ 0.0002409100000000, -0.0003615600000000, -0.0002566400000000 ] - [ -0.0000026400000000, 0.0004397500000000, 0.0006370000000000 ] - [ -0.0001017700000000, 0.0001107800000000, -0.0000074900000000 ] - [ -0.0000321000000000, -0.0000119600000000, -0.0000575400000000 ] - [ -0.0002035100000000, 0.0000713200000000, -0.0002923200000000 ] - [ -0.0002417400000000, -0.0001755000000000, 0.0002257900000000 ]- atom: 57 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0001342000000000, 0.0001518300000000, -0.0009285200000000 ] - [ 0.0003890900000000, -0.0005355500000000, -0.0008962600000000 ] - [ -0.0000823200000000, -0.0001576200000000, 0.0002540200000000 ] - [ -0.0033074700000000, 0.0002686400000000, -0.0000496600000000 ] - [ 0.0000299200000000, 0.0001115900000000, -0.0003167700000000 ] - [ -0.0002915300000000, -0.0002556500000000, 0.0001715200000000 ] - [ 0.0000862800000000, -0.0001239900000000, -0.0002768600000000 ] - [ -0.0002796200000000, 0.0002543300000000, 0.0001801700000000 ] - [ -0.0009980300000000, 0.0001753900000000, -0.0001790100000000 ] - [ 0.0017491200000000, -0.0002081300000000, -0.0004898200000000 ] - [ 0.0053820000000000, -0.0057733900000000, 0.0210976000000000 ] - [ -0.0000062900000000, 0.0005875500000000, -0.0150046000000000 ] - [ 0.0005009800000000, 0.0001885900000000, -0.0004302700000000 ] - [ 0.0001746400000000, -0.0001457000000000, -0.0002752000000000 ] - [ 0.0001492500000000, 0.0002427000000000, 0.0000976100000000 ] - [ 0.0001495700000000, -0.0002417000000000, 0.0001066100000000 ] - [ -0.0009897100000000, -0.0038630200000000, 0.0171385800000000 ] - [ -0.0040740700000000, 0.0002314100000000, -0.0086168000000000 ] - [ -0.0938430500000000, 0.0252064800000000, 0.1714327700000000 ] - [ -0.0001243700000000, 0.0006061900000000, 0.0008239500000000 ] - [ 0.0080933800000000, 0.0013558200000000, 0.0023204800000000 ] - [ 0.0005565500000000, -0.0000228900000000, -0.0005608900000000 ] - [ -0.0001517500000000, -0.0004672000000000, -0.0011624200000000 ] - [ -0.0000507800000000, -0.0006390400000000, 0.0008533600000000 ] - [ -0.0028233000000000, 0.0004763600000000, -0.0020106000000000 ] - [ 0.0007176100000000, -0.0001825300000000, 0.0002968000000000 ] - [ 0.0002572600000000, 0.0003275100000000, -0.0001467200000000 ] - [ 0.0002086500000000, -0.0003553300000000, 0.0000217900000000 ] - [ 0.0008910300000000, -0.0004010000000000, 0.0010387200000000 ] - [ 0.0003787500000000, 0.0002439700000000, 0.0000202900000000 ] - [ 0.0004475900000000, 0.0005023900000000, -0.0054344900000000 ] - [ -0.0000584200000000, -0.0001370300000000, 0.0000865900000000 ] - [ 0.0001661400000000, -0.0000403500000000, -0.0000252400000000 ] - [ 0.0007973900000000, -0.0008210100000000, 0.0004201300000000 ] - [ 0.0008072200000000, 0.0008235700000000, 0.0004508300000000 ] - [ 0.0025978500000000, -0.0004675100000000, -0.0052492500000000 ] - [ 0.0006821400000000, 0.0000115000000000, -0.0001387700000000 ] - [ -0.0005273400000000, 0.0003430800000000, -0.0005139300000000 ] - [ 0.0003036300000000, -0.0000790000000000, -0.0003597800000000 ] - [ -0.0083219900000000, -0.0018514200000000, 0.0107136700000000 ] - [ 0.0007300700000000, -0.0000143100000000, -0.0002170100000000 ] - [ -0.0000152100000000, 0.0001769300000000, 0.0021907600000000 ] - [ -0.0032031100000000, -0.0004334300000000, -0.0030493400000000 ] - [ 0.0049130700000000, -0.0011414000000000, 0.0027598000000000 ] - [ 0.0004746200000000, -0.0000319200000000, 0.0002369700000000 ] - [ 0.0010237300000000, 0.0005025900000000, -0.0013959000000000 ] - [ 0.0001595300000000, 0.0000371200000000, -0.0000482600000000 ] - [ 0.0011155600000000, 0.0002802900000000, 0.0000187600000000 ] - [ -0.0002186600000000, 0.0006333300000000, 0.0010690500000000 ] - [ 0.0008621500000000, 0.0001707800000000, -0.0003592600000000 ] - [ -0.0004314500000000, -0.0002194800000000, -0.0003649800000000 ] - [ -0.0002867800000000, -0.0001362200000000, 0.0006221900000000 ] - [ -0.0000421500000000, 0.0003102900000000, 0.0002543400000000 ] - [ -0.0039636300000000, -0.0055449000000000, -0.0053100200000000 ] - [ -0.0002104300000000, -0.0001203700000000, 0.0000132200000000 ] - [ -0.0001249300000000, 0.0001055700000000, -0.0002641000000000 ] - [ 0.0969661400000000, -0.0020182300000000, -0.2411429400000000 ] - [ -0.0006534800000000, 0.0002261100000000, 0.0003076900000000 ] - [ -0.0007209500000000, 0.0120992700000000, 0.0113790500000000 ] - [ -0.0006663900000000, -0.0002207300000000, 0.0003271700000000 ] - [ 0.0015072900000000, 0.0035036200000000, 0.0060972200000000 ] - [ -0.0048358500000000, -0.0148867400000000, 0.0251334500000000 ] - [ 0.0002492800000000, 0.0000148300000000, -0.0010035300000000 ] - [ 0.0002849000000000, -0.0064494800000000, 0.0074405500000000 ] - [ 0.0001705600000000, -0.0000152800000000, 0.0003217800000000 ] - [ 0.0000789500000000, -0.0002634300000000, 0.0002377000000000 ] - [ 0.0000681000000000, 0.0004205200000000, -0.0000435100000000 ] - [ -0.0079707700000000, -0.0005468200000000, 0.0021304900000000 ] - [ -0.0001761000000000, 0.0016009300000000, -0.0028786400000000 ] - [ 0.0011671000000000, 0.0001755500000000, 0.0002945300000000 ] - [ 0.0007243500000000, -0.0005232200000000, -0.0004550600000000 ] - [ -0.0002294200000000, 0.0002804800000000, -0.0003999300000000 ] - [ 0.0000064300000000, 0.0004126800000000, -0.0003100900000000 ] - [ -0.0002854800000000, -0.0000582000000000, 0.0006301300000000 ] - [ -0.0005886400000000, 0.0003483900000000, 0.0073454600000000 ] - [ -0.0000529000000000, -0.0005447600000000, 0.0003555100000000 ] - [ -0.0000394700000000, 0.0000388700000000, -0.0000174700000000 ] - [ -0.0011430800000000, -0.0001178900000000, -0.0011064700000000 ] - [ -0.0001021800000000, 0.0001952000000000, -0.0000642800000000 ] - [ -0.0019688100000000, 0.0014297800000000, 0.0000173700000000 ] - [ 0.0004577000000000, 0.0001446300000000, -0.0004137000000000 ] - [ -0.0002854400000000, 0.0003052400000000, 0.0007469300000000 ] - [ -0.0005249400000000, -0.0006353100000000, 0.0002443600000000 ] - [ 0.0008956800000000, -0.0013631700000000, 0.0034654100000000 ] - [ -0.0000936700000000, 0.0005907000000000, -0.0034895200000000 ] - [ 0.0000542500000000, -0.0004179700000000, -0.0000408500000000 ] - [ -0.0003045300000000, -0.0002970200000000, 0.0007388900000000 ] - [ -0.0000383900000000, 0.0003312800000000, 0.0000711800000000 ] - [ 0.0040567700000000, -0.0001189800000000, 0.0017159600000000 ] - [ 0.0001877900000000, -0.0000972500000000, 0.0007795300000000 ] - [ 0.0003062100000000, -0.0003106300000000, -0.0002738900000000 ] - [ -0.0000438000000000, 0.0005413500000000, 0.0003886900000000 ] - [ -0.0000067000000000, 0.0000203900000000, 0.0002849700000000 ] - [ -0.0001178200000000, -0.0000541300000000, -0.0000365700000000 ] - [ -0.0017710000000000, -0.0009032800000000, 0.0000735000000000 ] - [ -0.0003055400000000, 0.0000905100000000, 0.0005362500000000 ] - [ -0.0005896000000000, 0.0001216300000000, -0.0003361700000000 ] - [ -0.0004145900000000, -0.0005371900000000, -0.0001239100000000 ] - [ -0.0002313600000000, -0.0001518100000000, -0.0001189200000000 ] - [ -0.0001691600000000, -0.0005697900000000, 0.0028075600000000 ] - [ 0.0015000800000000, -0.0007589400000000, -0.0006693100000000 ] - [ -0.0004979100000000, 0.0000133100000000, -0.0005211600000000 ] - [ 0.0009697400000000, -0.0005192300000000, -0.0002121600000000 ] - [ -0.0003235900000000, 0.0005878200000000, -0.0011281700000000 ] - [ 0.0001733100000000, 0.0000415400000000, 0.0001744900000000 ] - [ -0.0058269500000000, 0.0026879100000000, 0.0012586200000000 ] - [ -0.0001367700000000, 0.0000287900000000, -0.0004946700000000 ] - [ 0.0052082400000000, -0.0002750700000000, 0.0024148600000000 ] - [ 0.0002671600000000, -0.0006678400000000, 0.0004108200000000 ] - [ 0.0002637100000000, 0.0006742400000000, 0.0003975200000000 ] - [ -0.0000343700000000, 0.0000243500000000, -0.0002784400000000 ] - [ -0.0001334000000000, -0.0000337300000000, -0.0004838100000000 ] - [ 0.0002123300000000, -0.0001725700000000, 0.0003099000000000 ] - [ -0.0008407200000000, -0.0007640000000000, 0.0009078200000000 ] - [ -0.0029458100000000, 0.0026635800000000, 0.0039731500000000 ] - [ -0.0000458800000000, -0.0000241700000000, -0.0001053600000000 ] - [ -0.0005997400000000, -0.0001191200000000, -0.0003521400000000 ] - [ 0.0000292100000000, 0.0001712700000000, -0.0003278400000000 ] - [ -0.0004802400000000, 0.0000461000000000, -0.0002386000000000 ] - [ 0.0002535400000000, 0.0002289700000000, -0.0005261100000000 ] - [ -0.0000479200000000, 0.0002529800000000, -0.0003586000000000 ] - [ -0.0000212500000000, -0.0000580500000000, -0.0001325000000000 ] - [ 0.0001720800000000, -0.0000392500000000, 0.0001864700000000 ] - [ -0.0017349100000000, -0.0057119900000000, -0.0089820000000000 ] - [ 0.0004247700000000, -0.0001205500000000, -0.0001765000000000 ] - [ -0.0000141100000000, -0.0000960100000000, -0.0004638000000000 ] - [ -0.0014445100000000, -0.0004236400000000, 0.0002538200000000 ] - [ -0.0003657900000000, 0.0005141700000000, -0.0001488500000000 ] - [ -0.0000338000000000, -0.0000189100000000, -0.0002649100000000 ] - [ -0.0009151800000000, 0.0001645600000000, 0.0036689400000000 ] - [ -0.0001196100000000, -0.0004888400000000, 0.0001001500000000 ] - [ -0.0005029900000000, -0.0000188000000000, -0.0005087600000000 ] - [ 0.0001110200000000, -0.0000747900000000, -0.0002510300000000 ] - [ 0.0100847500000000, 0.0066228100000000, 0.0026228700000000 ] - [ 0.0052522900000000, -0.0051856600000000, -0.0046888700000000 ] - [ -0.0004429300000000, 0.0004733600000000, 0.0002197600000000 ] - [ -0.0000759500000000, 0.0000242500000000, -0.0001095600000000 ] - [ 0.0001087800000000, 0.0000828200000000, -0.0002338900000000 ] - [ -0.0000708600000000, -0.0003681400000000, -0.0001385700000000 ] - [ 0.0006854100000000, -0.0011192400000000, 0.0042741200000000 ] - [ -0.0002132000000000, 0.0000877800000000, 0.0000639000000000 ] - [ 0.0000014800000000, 0.0003110100000000, 0.0006398500000000 ] - [ -0.0004163200000000, -0.0000147200000000, -0.0002790500000000 ] - [ -0.0007872300000000, -0.0003336900000000, -0.0020341100000000 ]- atom: 57 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0001683500000000, 0.0000850000000000, 0.0003300800000000 ] - [ -0.0010862700000000, 0.0000199400000000, 0.0012228400000000 ] - [ 0.0000632200000000, -0.0000769300000000, -0.0008446100000000 ] - [ 0.0026263400000000, 0.0002469200000000, 0.0004087500000000 ] - [ -0.0000591200000000, 0.0001251800000000, -0.0002806300000000 ] - [ -0.0003942000000000, -0.0002628700000000, 0.0001608100000000 ] - [ -0.0001161800000000, -0.0001133400000000, -0.0003205900000000 ] - [ -0.0004062900000000, 0.0002636300000000, 0.0001522800000000 ] - [ 0.0012167500000000, 0.0001281700000000, -0.0005153000000000 ] - [ -0.0015293100000000, -0.0000943100000000, -0.0002173700000000 ] - [ -0.0058673600000000, 0.0070604900000000, -0.0227462400000000 ] - [ -0.0001455500000000, -0.0010989000000000, 0.0152423900000000 ] - [ -0.0002804100000000, 0.0001155600000000, -0.0002675300000000 ] - [ 0.0000456200000000, -0.0001572500000000, -0.0004278600000000 ] - [ -0.0003357200000000, 0.0002664700000000, 0.0001030000000000 ] - [ -0.0003359100000000, -0.0002678600000000, 0.0000942000000000 ] - [ 0.0010302800000000, 0.0037660100000000, -0.0173408100000000 ] - [ 0.0053971900000000, -0.0018602200000000, 0.0094935400000000 ] - [ 0.0887810900000000, -0.0219496100000000, -0.1626983400000000 ] - [ -0.0004457400000000, 0.0005430600000000, 0.0008425500000000 ] - [ -0.0073126800000000, -0.0014207600000000, -0.0027220000000000 ] - [ -0.0004484100000000, 0.0001914000000000, 0.0000918700000000 ] - [ 0.0005486000000000, 0.0003061000000000, 0.0009609600000000 ] - [ -0.0005191600000000, -0.0005103700000000, 0.0008125700000000 ] - [ 0.0036379400000000, -0.0004232900000000, 0.0017026700000000 ] - [ -0.0000210700000000, -0.0002568200000000, 0.0000807800000000 ] - [ -0.0001885900000000, 0.0003651200000000, 0.0001020800000000 ] - [ -0.0001395900000000, -0.0003370600000000, -0.0000658100000000 ] - [ -0.0004841000000000, 0.0005616400000000, -0.0012422100000000 ] - [ 0.0003166000000000, 0.0001950800000000, 0.0003582400000000 ] - [ -0.0004970000000000, -0.0004021600000000, 0.0053636500000000 ] - [ 0.0001681900000000, -0.0000304100000000, -0.0005518300000000 ] - [ -0.0001901000000000, -0.0000604600000000, -0.0000724200000000 ] - [ 0.0004617200000000, -0.0007949400000000, 0.0004072500000000 ] - [ 0.0004516600000000, 0.0007922600000000, 0.0003765900000000 ] - [ -0.0031586900000000, 0.0016229700000000, 0.0069526800000000 ] - [ 0.0001454000000000, -0.0000616100000000, -0.0001915500000000 ] - [ 0.0006454900000000, -0.0001804900000000, 0.0000413400000000 ] - [ 0.0000991900000000, -0.0000811100000000, 0.0001600900000000 ] - [ 0.0076943700000000, 0.0006895800000000, -0.0091729500000000 ] - [ 0.0000980200000000, 0.0000641100000000, -0.0001121100000000 ] - [ 0.0006992900000000, -0.0006143000000000, -0.0018202800000000 ] - [ 0.0033114300000000, 0.0011340200000000, 0.0030023900000000 ] - [ -0.0048686800000000, 0.0004377100000000, -0.0027711000000000 ] - [ -0.0000763700000000, 0.0001922500000000, -0.0004406800000000 ] - [ -0.0003211400000000, -0.0000647300000000, 0.0017826600000000 ] - [ -0.0001836500000000, 0.0000635500000000, -0.0000490800000000 ] - [ -0.0010136300000000, -0.0004510800000000, -0.0004794200000000 ] - [ -0.0008156500000000, -0.0003631400000000, -0.0017666100000000 ] - [ -0.0014272200000000, -0.0011045900000000, 0.0000314200000000 ] - [ 0.0000983400000000, -0.0000164000000000, 0.0003236000000000 ] - [ -0.0001876500000000, -0.0001376700000000, 0.0005260100000000 ] - [ 0.0003192400000000, 0.0001310100000000, 0.0001607300000000 ] - [ 0.0031508200000000, 0.0056370400000000, 0.0044233600000000 ] - [ 0.0001304200000000, -0.0003241100000000, -0.0001391600000000 ] - [ -0.0000054600000000, 0.0000172500000000, -0.0000520400000000 ] - [ -0.0897593600000000, -0.0001657500000000, 0.2348304300000000 ] - [ -0.0004036300000000, 0.0001508000000000, 0.0003965800000000 ] - [ 0.0005582400000000, -0.0118212900000000, -0.0121511400000000 ] - [ -0.0003907600000000, -0.0001557500000000, 0.0003774100000000 ] - [ -0.0008562500000000, -0.0048522800000000, -0.0053328000000000 ] - [ 0.0053108000000000, 0.0159135800000000, -0.0238317100000000 ] - [ -0.0001864700000000, 0.0000718800000000, 0.0005720400000000 ] - [ -0.0003676600000000, 0.0064142100000000, -0.0085081500000000 ] - [ 0.0001648400000000, -0.0003426600000000, -0.0003106500000000 ] - [ 0.0001987600000000, -0.0001774800000000, 0.0001768600000000 ] - [ 0.0001936700000000, 0.0003814200000000, -0.0000682000000000 ] - [ 0.0083050100000000, 0.0005001700000000, -0.0022807200000000 ] - [ -0.0009186400000000, -0.0018771800000000, 0.0021994100000000 ] - [ -0.0008828800000000, 0.0001090400000000, -0.0010029600000000 ] - [ -0.0013952400000000, 0.0004877700000000, -0.0001055400000000 ] - [ 0.0005595300000000, 0.0003848200000000, -0.0001921300000000 ] - [ 0.0003270200000000, -0.0000529000000000, 0.0003196900000000 ] - [ 0.0003536300000000, -0.0000287200000000, -0.0010587200000000 ] - [ 0.0010718000000000, -0.0003933800000000, -0.0070522100000000 ] - [ 0.0001176900000000, -0.0004713000000000, 0.0003672000000000 ] - [ 0.0006634000000000, -0.0002170600000000, -0.0004108600000000 ] - [ 0.0014238700000000, -0.0001646000000000, 0.0004034200000000 ] - [ 0.0000216400000000, 0.0002485100000000, -0.0000620300000000 ] - [ 0.0014122400000000, -0.0004993900000000, -0.0003303900000000 ] - [ 0.0001640500000000, 0.0000329100000000, -0.0000168500000000 ] - [ -0.0000813500000000, 0.0003932000000000, 0.0007759600000000 ] - [ 0.0001268200000000, -0.0002832000000000, 0.0000328300000000 ] - [ -0.0017352900000000, 0.0013115200000000, -0.0044526500000000 ] - [ 0.0004446200000000, -0.0006645000000000, 0.0030062800000000 ] - [ 0.0002075300000000, -0.0003840500000000, -0.0000706900000000 ] - [ -0.0000621800000000, -0.0004016900000000, 0.0007838800000000 ] - [ -0.0003590000000000, 0.0005864200000000, 0.0002027000000000 ] - [ -0.0038380900000000, 0.0001688100000000, -0.0018504300000000 ] - [ 0.0002088700000000, 0.0001788600000000, -0.0013101100000000 ] - [ 0.0000247400000000, -0.0003549700000000, -0.0003191300000000 ] - [ 0.0001085200000000, 0.0004747900000000, 0.0003337200000000 ] - [ -0.0003220300000000, 0.0002149300000000, -0.0003300000000000 ] - [ -0.0000121200000000, -0.0000686700000000, -0.0002795900000000 ] - [ 0.0011025500000000, 0.0009402700000000, -0.0006135600000000 ] - [ -0.0001691300000000, 0.0001829900000000, 0.0006116400000000 ] - [ -0.0004541700000000, 0.0001476900000000, -0.0003577200000000 ] - [ -0.0001536400000000, -0.0003994500000000, -0.0001975700000000 ] - [ -0.0000978000000000, -0.0000829500000000, 0.0000762000000000 ] - [ -0.0003126000000000, 0.0002992500000000, -0.0016682700000000 ] - [ -0.0012113800000000, 0.0011900400000000, 0.0010902200000000 ] - [ -0.0003457700000000, 0.0000402300000000, -0.0004527100000000 ] - [ -0.0010685200000000, 0.0000842700000000, 0.0001002300000000 ] - [ 0.0001980100000000, -0.0004676900000000, 0.0008141200000000 ] - [ 0.0003041800000000, 0.0000078400000000, 0.0001627100000000 ] - [ 0.0047650000000000, -0.0023208300000000, -0.0005808200000000 ] - [ 0.0000415200000000, 0.0000883200000000, -0.0004770600000000 ] - [ -0.0063400300000000, -0.0000961000000000, -0.0017176000000000 ] - [ 0.0003973700000000, -0.0006362600000000, 0.0004016000000000 ] - [ 0.0004009200000000, 0.0006299000000000, 0.0004145500000000 ] - [ 0.0001014900000000, 0.0000624400000000, -0.0001514500000000 ] - [ 0.0000384000000000, -0.0000834800000000, -0.0004877300000000 ] - [ 0.0001201100000000, -0.0001861300000000, -0.0002987600000000 ] - [ 0.0011135900000000, 0.0003188500000000, -0.0004981400000000 ] - [ 0.0032086200000000, -0.0018716700000000, -0.0040976600000000 ] - [ 0.0002567900000000, -0.0000216000000000, -0.0000153900000000 ] - [ -0.0004438500000000, -0.0001502000000000, -0.0003422400000000 ] - [ 0.0002513100000000, 0.0001133800000000, -0.0003805700000000 ] - [ -0.0001940600000000, -0.0000772400000000, -0.0003107700000000 ] - [ 0.0000812700000000, 0.0004393800000000, -0.0000625100000000 ] - [ 0.0003844500000000, 0.0001058700000000, 0.0003667500000000 ] - [ 0.0000871900000000, -0.0000285600000000, -0.0002965700000000 ] - [ 0.0003055000000000, -0.0000100200000000, 0.0001507600000000 ] - [ 0.0018973200000000, 0.0047670600000000, 0.0097169900000000 ] - [ 0.0001954400000000, -0.0000560700000000, -0.0002514900000000 ] - [ 0.0002961600000000, -0.0001890100000000, -0.0002432400000000 ] - [ 0.0013722600000000, 0.0008771300000000, -0.0003900500000000 ] - [ -0.0002025800000000, 0.0004223300000000, -0.0001721500000000 ] - [ 0.0006587800000000, 0.0001975700000000, -0.0001653100000000 ] - [ 0.0005327000000000, 0.0005232300000000, -0.0021575800000000 ] - [ -0.0002804800000000, -0.0004303700000000, 0.0001780600000000 ] - [ -0.0003408400000000, -0.0000344400000000, -0.0004652400000000 ] - [ 0.0002750900000000, -0.0000123300000000, -0.0002726800000000 ] - [ -0.0099262000000000, -0.0075160600000000, -0.0026951700000000 ] - [ -0.0055314600000000, 0.0043921600000000, 0.0063099500000000 ] - [ 0.0000465300000000, 0.0004436400000000, 0.0000531500000000 ] - [ 0.0002873700000000, 0.0000220900000000, -0.0000119900000000 ] - [ 0.0002770100000000, 0.0000042000000000, -0.0002902900000000 ] - [ 0.0003970000000000, -0.0002948200000000, -0.0004577800000000 ] - [ -0.0006361700000000, 0.0021469600000000, -0.0035629800000000 ] - [ -0.0001174200000000, 0.0001477500000000, -0.0001088200000000 ] - [ -0.0001350300000000, -0.0004370400000000, -0.0009594400000000 ] - [ -0.0002583500000000, 0.0000456300000000, -0.0002696500000000 ] - [ 0.0003212700000000, 0.0006102500000000, 0.0031804200000000 ]- atom: 58 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0005323700000000, 0.0001569500000000, -0.0002596500000000 ] - [ -0.0008756800000000, -0.0002997500000000, 0.0000672300000000 ] - [ -0.0009688200000000, -0.0000876800000000, -0.0004012000000000 ] - [ -0.0009503100000000, 0.0003009000000000, 0.0000733100000000 ] - [ -0.0006261900000000, 0.0001265600000000, -0.0004718400000000 ] - [ -0.0003678200000000, -0.0002896500000000, -0.0000448100000000 ] - [ -0.0007743500000000, -0.0001113900000000, -0.0000812100000000 ] - [ -0.0014227000000000, 0.0002765900000000, 0.0001982200000000 ] - [ -0.0026452000000000, 0.0002801900000000, 0.0008546900000000 ] - [ -0.0015828700000000, 0.0000546800000000, -0.0012862700000000 ] - [ -0.0024808900000000, 0.0003732000000000, 0.0000682700000000 ] - [ -0.0025183600000000, -0.0003833800000000, 0.0000993200000000 ] - [ -0.0027121900000000, -0.0000605700000000, -0.0003954100000000 ] - [ -0.0017249100000000, 0.0000154700000000, -0.0004390800000000 ] - [ 0.0047831500000000, -0.0003586500000000, 0.0010741600000000 ] - [ 0.0048778900000000, 0.0004105000000000, -0.0000834500000000 ] - [ -0.0017848100000000, -0.0001576200000000, -0.0002060600000000 ] - [ -0.0010750200000000, -0.0006660700000000, 0.0001970800000000 ] - [ -0.0010956800000000, 0.0006637700000000, 0.0001942500000000 ] - [ 0.0190673500000000, 0.0092606000000000, -0.0089031100000000 ] - [ -0.0024727300000000, -0.0004185100000000, -0.0003221100000000 ] - [ 0.0020226300000000, -0.0008884300000000, -0.0013917600000000 ] - [ -0.0006039800000000, -0.0004933400000000, 0.0012806300000000 ] - [ 0.0108824800000000, 0.0001784000000000, -0.0025868100000000 ] - [ -0.0024945100000000, 0.0003617400000000, 0.0002952800000000 ] - [ 0.0013586400000000, -0.0021972000000000, -0.0081497700000000 ] - [ 0.0060649800000000, 0.0000723000000000, -0.0030782500000000 ] - [ 0.1688846500000000, -0.0658824900000000, 0.0559914000000000 ] - [ -0.0024811600000000, 0.0009675400000000, -0.0022021900000000 ] - [ 0.0024935600000000, 0.0015980200000000, 0.0049636400000000 ] - [ -0.0017071600000000, 0.0001688800000000, -0.0001305800000000 ] - [ -0.0084298200000000, -0.0057222500000000, -0.0005447900000000 ] - [ -0.0011225500000000, -0.0002547500000000, 0.0031772700000000 ] - [ 0.0047700800000000, -0.0020905700000000, -0.0041690200000000 ] - [ 0.0087856000000000, 0.0092844000000000, 0.0138506900000000 ] - [ -0.0022462900000000, 0.0000933000000000, 0.0007798800000000 ] - [ -0.0011938500000000, -0.0002979100000000, 0.0006743500000000 ] - [ -0.0017468400000000, 0.0003104900000000, -0.0003427300000000 ] - [ -0.0017871200000000, -0.0007511300000000, -0.0008314400000000 ] - [ -0.0022219800000000, -0.0001033200000000, 0.0007818500000000 ] - [ -0.0045466800000000, 0.0010980000000000, -0.0021723300000000 ] - [ -0.0015723200000000, -0.0002620100000000, 0.0005575500000000 ] - [ -0.0019204000000000, 0.0003965800000000, 0.0003465500000000 ] - [ -0.0019464500000000, -0.0004066300000000, 0.0004061400000000 ] - [ -0.0014679700000000, 0.0004596600000000, -0.0000389900000000 ] - [ -0.0016870200000000, 0.0002858900000000, 0.0004502900000000 ] - [ -0.0002504500000000, 0.0003768200000000, -0.0029947300000000 ] - [ -0.0019790700000000, -0.0003739200000000, -0.0001299500000000 ] - [ 0.0001519500000000, 0.0002598400000000, -0.0004055000000000 ] - [ 0.0008985900000000, 0.0001350900000000, -0.0005150900000000 ] - [ 0.0005342300000000, 0.0000491200000000, 0.0006207200000000 ] - [ -0.0024520200000000, 0.0004851800000000, 0.0014928800000000 ] - [ -0.0034676600000000, 0.0025526600000000, 0.0023410600000000 ] - [ 0.0003436800000000, 0.0001464200000000, -0.0001682100000000 ] - [ -0.0029323500000000, 0.0013721700000000, 0.0021522800000000 ] - [ 0.0010923900000000, -0.0031563900000000, 0.0051017500000000 ] - [ 0.0008885100000000, -0.0001278200000000, 0.0000559700000000 ] - [ -0.2113279500000000, 0.0590792500000000, -0.0731416800000000 ] - [ 0.0008207600000000, 0.0003266200000000, -0.0004512600000000 ] - [ -0.0040803300000000, -0.0010351300000000, 0.0000965200000000 ] - [ 0.0009850800000000, -0.0004707600000000, 0.0004272500000000 ] - [ 0.0009941500000000, 0.0004709500000000, 0.0004243000000000 ] - [ 0.0007910800000000, 0.0001309700000000, -0.0000461400000000 ] - [ 0.0008025300000000, -0.0003231400000000, -0.0004463500000000 ] - [ -0.0001413200000000, -0.0000824500000000, 0.0000229400000000 ] - [ -0.0033553000000000, -0.0030013200000000, -0.0015184300000000 ] - [ -0.0060296500000000, 0.0019271900000000, 0.0035896000000000 ] - [ 0.0017086000000000, -0.0000011100000000, 0.0004449700000000 ] - [ 0.0002418800000000, -0.0002756100000000, -0.0003495500000000 ] - [ 0.0010497300000000, 0.0001092700000000, -0.0003721100000000 ] - [ 0.0009467400000000, -0.0005475900000000, -0.0006050800000000 ] - [ 0.0014063900000000, 0.0014296700000000, 0.0015950500000000 ] - [ 0.0020078800000000, -0.0001370900000000, 0.0015838700000000 ] - [ 0.0004880400000000, -0.0000331100000000, -0.0005123600000000 ] - [ 0.0008812900000000, 0.0001210400000000, 0.0000432500000000 ] - [ -0.0080245100000000, -0.0045758500000000, 0.0006250900000000 ] - [ 0.0001455800000000, 0.0000464000000000, 0.0000453800000000 ] - [ 0.0017718800000000, -0.0004000700000000, 0.0004711700000000 ] - [ 0.0182676500000000, 0.0019144600000000, -0.0028247900000000 ] - [ 0.0006562100000000, -0.0000512600000000, -0.0002920300000000 ] - [ 0.0030799900000000, 0.0011066300000000, -0.0001582000000000 ] - [ -0.0032067600000000, -0.0039135500000000, 0.0116287300000000 ] - [ -0.0003743300000000, -0.0006392200000000, 0.0008402400000000 ] - [ 0.0003632700000000, -0.0001168900000000, -0.0002466500000000 ] - [ 0.0010318100000000, 0.0002902800000000, -0.0004173800000000 ] - [ -0.0035280600000000, -0.0020527300000000, 0.0012030200000000 ] - [ -0.0049816800000000, 0.0021923600000000, -0.0008622700000000 ] - [ 0.0024070600000000, 0.0004972100000000, -0.0011622300000000 ] - [ 0.0017964900000000, 0.0000165800000000, 0.0003731200000000 ] - [ 0.0010000700000000, -0.0003169900000000, -0.0004920900000000 ] - [ -0.0008615700000000, 0.0004981500000000, -0.0020814000000000 ] - [ -0.0036470900000000, 0.0009270000000000, 0.0026009400000000 ] - [ 0.0002576600000000, 0.0002151800000000, -0.0006142300000000 ] - [ -0.0008670800000000, -0.0011979900000000, -0.0015654600000000 ] - [ 0.0006107000000000, 0.0003890200000000, -0.0002674600000000 ] - [ -0.0019091700000000, 0.0020196300000000, 0.0143473000000000 ] - [ -0.0000334700000000, 0.0004649200000000, 0.0002207600000000 ] - [ 0.0016171900000000, 0.0005620600000000, -0.0003256200000000 ] - [ 0.0003283200000000, -0.0001467700000000, -0.0001048100000000 ] - [ 0.0003502000000000, -0.0003846000000000, 0.0005463400000000 ] - [ 0.0012994800000000, -0.0004265100000000, -0.0001643600000000 ] - [ -0.0008856800000000, -0.0004743600000000, -0.0016300300000000 ] - [ 0.0010951200000000, -0.0008493400000000, -0.0004282600000000 ] - [ 0.0004948000000000, -0.0001056600000000, -0.0002930300000000 ] - [ 0.0010663500000000, -0.0000643200000000, -0.0051212600000000 ] - [ 0.0007763400000000, -0.0001503300000000, 0.0006893000000000 ] - [ 0.0086238700000000, -0.0064904300000000, -0.0076464500000000 ] - [ 0.0007625900000000, 0.0001513000000000, 0.0006953700000000 ] - [ -0.0005470500000000, 0.0002357300000000, 0.0021313800000000 ] - [ 0.0012897500000000, 0.0050697700000000, -0.0027657300000000 ] - [ 0.0007417900000000, 0.0000527900000000, -0.0006107300000000 ] - [ -0.0011422200000000, -0.0001030900000000, 0.0004677400000000 ] - [ 0.0009933600000000, 0.0002613900000000, 0.0001240100000000 ] - [ 0.0013402000000000, 0.0004409400000000, -0.0001682600000000 ] - [ 0.0008248800000000, 0.0002234500000000, -0.0001832100000000 ] - [ 0.0001110000000000, 0.0000469600000000, -0.0000459600000000 ] - [ 0.0001138000000000, 0.0001651300000000, -0.0010932900000000 ] - [ 0.0018796100000000, 0.0002081800000000, 0.0003291400000000 ] - [ 0.0012404100000000, -0.0008383400000000, -0.0004122500000000 ] - [ 0.0012931500000000, 0.0007080900000000, 0.0000577700000000 ] - [ 0.0009459300000000, -0.0001287200000000, -0.0000916600000000 ] - [ 0.0005272800000000, -0.0000619400000000, -0.0000408400000000 ] - [ -0.0016305500000000, 0.0007321500000000, 0.0059488600000000 ] - [ 0.0008340000000000, -0.0001604900000000, 0.0002480700000000 ] - [ 0.0012209000000000, -0.0004006500000000, -0.0000778600000000 ] - [ 0.0011055500000000, -0.0001882300000000, -0.0001877400000000 ] - [ 0.0011395400000000, 0.0008799300000000, -0.0004563500000000 ] - [ 0.0003120800000000, 0.0001530400000000, -0.0003406300000000 ] - [ 0.0014120000000000, 0.0004711600000000, -0.0002120300000000 ] - [ 0.0009223800000000, 0.0008269400000000, 0.0009299400000000 ] - [ 0.0004935500000000, -0.0003065800000000, -0.0000491100000000 ] - [ 0.0009357200000000, -0.0016374100000000, 0.0020385200000000 ] - [ 0.0009704700000000, 0.0001989200000000, -0.0008840600000000 ] - [ 0.0008158100000000, -0.0002265000000000, -0.0001768600000000 ] - [ 0.0009169300000000, -0.0008237700000000, 0.0009358900000000 ] - [ 0.0006670100000000, 0.0001994300000000, -0.0000936600000000 ] - [ 0.0069399800000000, 0.0006409500000000, 0.0002585100000000 ] - [ 0.0006625100000000, -0.0003019500000000, 0.0001742800000000 ] - [ 0.0014831700000000, -0.0007184100000000, 0.0001133900000000 ] - [ 0.0008319700000000, 0.0001646300000000, 0.0002540700000000 ] - [ 0.0004562600000000, 0.0000733700000000, 0.0001585300000000 ] - [ 0.0004938800000000, 0.0001239800000000, -0.0002090400000000 ] - [ 0.0003544000000000, 0.0002972900000000, -0.0003620300000000 ] - [ 0.0003459000000000, 0.0003693500000000, 0.0005172900000000 ]- atom: 58 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0004999500000000, 0.0000795100000000, -0.0003386500000000 ] - [ 0.0001894700000000, -0.0002194300000000, 0.0002644600000000 ] - [ 0.0009393800000000, -0.0001503500000000, -0.0001954200000000 ] - [ 0.0002645400000000, 0.0002173800000000, 0.0002585300000000 ] - [ 0.0005953100000000, 0.0001100200000000, -0.0001274800000000 ] - [ -0.0003143400000000, -0.0002291200000000, 0.0003748500000000 ] - [ 0.0007432300000000, -0.0001258200000000, -0.0005141000000000 ] - [ 0.0007368800000000, 0.0002404500000000, 0.0001374400000000 ] - [ 0.0028631100000000, 0.0000221600000000, -0.0015620700000000 ] - [ 0.0017911100000000, -0.0003577700000000, 0.0005913000000000 ] - [ 0.0022924100000000, 0.0001362800000000, 0.0001305600000000 ] - [ 0.0023302300000000, -0.0001259100000000, 0.0000991900000000 ] - [ 0.0029215400000000, 0.0003637700000000, -0.0003019200000000 ] - [ 0.0019437400000000, -0.0003194900000000, -0.0002594000000000 ] - [ -0.0049456100000000, 0.0008642000000000, -0.0008753400000000 ] - [ -0.0041406400000000, -0.0005935500000000, 0.0007624100000000 ] - [ 0.0017609100000000, 0.0000566400000000, 0.0001112900000000 ] - [ 0.0023322700000000, -0.0009510700000000, 0.0006311600000000 ] - [ 0.0023530400000000, 0.0009531000000000, 0.0006344100000000 ] - [ -0.0195679200000000, -0.0081674800000000, 0.0107117800000000 ] - [ 0.0032985900000000, 0.0003676300000000, -0.0000073300000000 ] - [ -0.0019282500000000, 0.0010598100000000, 0.0009298000000000 ] - [ 0.0009948600000000, 0.0003324700000000, -0.0014946900000000 ] - [ -0.0114753400000000, -0.0013581500000000, 0.0042141000000000 ] - [ 0.0033216700000000, -0.0003109300000000, -0.0006286700000000 ] - [ -0.0006776000000000, 0.0017803600000000, 0.0085309600000000 ] - [ -0.0060003500000000, 0.0006094100000000, 0.0030681300000000 ] - [ -0.1768219700000000, 0.0697891600000000, -0.0601467500000000 ] - [ 0.0028778700000000, -0.0008079600000000, 0.0020123300000000 ] - [ -0.0018544600000000, -0.0011951400000000, -0.0045845400000000 ] - [ 0.0016831900000000, -0.0000681500000000, 0.0000350200000000 ] - [ 0.0086031400000000, 0.0056011300000000, 0.0001124300000000 ] - [ 0.0011045000000000, 0.0001522100000000, -0.0032528000000000 ] - [ -0.0034557500000000, 0.0004537800000000, 0.0049919700000000 ] - [ -0.0074796700000000, -0.0076419200000000, -0.0129810700000000 ] - [ 0.0016717800000000, 0.0010580100000000, 0.0008833100000000 ] - [ 0.0020315400000000, 0.0002479100000000, -0.0010035900000000 ] - [ 0.0018531900000000, -0.0001396100000000, -0.0001238800000000 ] - [ 0.0021818500000000, 0.0005883300000000, 0.0006258500000000 ] - [ 0.0016476400000000, -0.0010482200000000, 0.0008814900000000 ] - [ 0.0053501200000000, -0.0010418500000000, 0.0018239700000000 ] - [ 0.0022612800000000, -0.0001712900000000, -0.0001782300000000 ] - [ 0.0019870100000000, 0.0002902500000000, -0.0003895000000000 ] - [ 0.0020128600000000, -0.0002807300000000, -0.0004479500000000 ] - [ 0.0018661500000000, -0.0002996200000000, -0.0001595800000000 ] - [ 0.0023750500000000, 0.0001473300000000, -0.0000721400000000 ] - [ 0.0002413400000000, -0.0002739200000000, 0.0028727900000000 ] - [ 0.0020836300000000, 0.0002022800000000, -0.0003346300000000 ] - [ -0.0011972400000000, 0.0000078100000000, -0.0002881000000000 ] - [ -0.0014685000000000, -0.0010723600000000, 0.0001932500000000 ] - [ -0.0008647400000000, -0.0002853900000000, -0.0006648700000000 ] - [ 0.0019850200000000, -0.0007597000000000, -0.0003790300000000 ] - [ 0.0037587500000000, -0.0021193600000000, -0.0019351500000000 ] - [ -0.0011850400000000, -0.0000917700000000, -0.0008068500000000 ] - [ 0.0028572100000000, -0.0018185600000000, -0.0022844300000000 ] - [ -0.0012279500000000, 0.0032875500000000, -0.0054264000000000 ] - [ -0.0004099600000000, 0.0001762000000000, 0.0002846900000000 ] - [ 0.2176195300000000, -0.0634158300000000, 0.0774735400000000 ] - [ -0.0009159000000000, -0.0002126200000000, -0.0005241200000000 ] - [ 0.0030140200000000, 0.0006594900000000, 0.0006028000000000 ] - [ -0.0003195300000000, -0.0008352200000000, 0.0003829300000000 ] - [ -0.0003285900000000, 0.0008350000000000, 0.0003856900000000 ] - [ -0.0007247800000000, -0.0000462100000000, -0.0003921500000000 ] - [ -0.0008975200000000, 0.0002087700000000, -0.0005288200000000 ] - [ 0.0004817700000000, -0.0002763600000000, -0.0000175200000000 ] - [ 0.0036941900000000, 0.0025952300000000, 0.0019089200000000 ] - [ 0.0062359400000000, -0.0012082300000000, -0.0037450600000000 ] - [ -0.0014902100000000, -0.0000458000000000, -0.0005655700000000 ] - [ -0.0012875600000000, 0.0000078200000000, -0.0003450100000000 ] - [ -0.0007642200000000, 0.0001779700000000, -0.0003305800000000 ] - [ -0.0016242000000000, 0.0005179500000000, 0.0000564100000000 ] - [ -0.0010721200000000, -0.0007675200000000, -0.0021892800000000 ] - [ -0.0016715000000000, 0.0005017900000000, -0.0015967200000000 ] - [ -0.0004207600000000, -0.0000534700000000, 0.0000793000000000 ] - [ -0.0004029000000000, -0.0001694100000000, 0.0002979000000000 ] - [ 0.0080936600000000, 0.0035492600000000, 0.0001495700000000 ] - [ 0.0004844800000000, -0.0002269000000000, -0.0004770900000000 ] - [ -0.0014901300000000, 0.0001141100000000, -0.0011792000000000 ] - [ -0.0189000600000000, -0.0014934100000000, 0.0027259500000000 ] - [ -0.0012242400000000, 0.0009875900000000, -0.0000309400000000 ] - [ -0.0024806200000000, -0.0009345900000000, -0.0002788200000000 ] - [ 0.0027795000000000, 0.0045895500000000, -0.0100117800000000 ] - [ -0.0000173300000000, -0.0002768400000000, -0.0005649900000000 ] - [ -0.0012048600000000, 0.0000620000000000, -0.0007278900000000 ] - [ -0.0006450300000000, -0.0003779600000000, -0.0001069600000000 ] - [ 0.0037885800000000, 0.0012561300000000, -0.0013142500000000 ] - [ 0.0046069000000000, -0.0028874900000000, 0.0023940800000000 ] - [ -0.0028272100000000, 0.0004198000000000, 0.0014520900000000 ] - [ -0.0015785100000000, 0.0000304700000000, -0.0004938500000000 ] - [ -0.0006135600000000, 0.0004048900000000, -0.0000322200000000 ] - [ 0.0012123800000000, -0.0011697200000000, 0.0015033400000000 ] - [ 0.0036701300000000, 0.0001197000000000, -0.0019277500000000 ] - [ -0.0005881400000000, 0.0000196000000000, 0.0005779900000000 ] - [ 0.0007453700000000, 0.0010829000000000, 0.0012485500000000 ] - [ -0.0012857100000000, -0.0003584100000000, -0.0002830400000000 ] - [ 0.0014949900000000, -0.0018150300000000, -0.0133002000000000 ] - [ -0.0010135100000000, -0.0001959200000000, -0.0009088700000000 ] - [ -0.0021772000000000, -0.0014935600000000, 0.0000029500000000 ] - [ -0.0006594600000000, -0.0000886500000000, 0.0000633000000000 ] - [ -0.0008246400000000, 0.0001120400000000, 0.0005997100000000 ] - [ -0.0010189600000000, 0.0008645400000000, 0.0005763300000000 ] - [ 0.0000375700000000, 0.0005261300000000, 0.0006495900000000 ] - [ -0.0011761600000000, 0.0004060200000000, 0.0003033500000000 ] - [ -0.0006248300000000, 0.0002272400000000, -0.0000220800000000 ] - [ -0.0005913800000000, 0.0001178000000000, 0.0054453800000000 ] - [ -0.0018338700000000, 0.0005241400000000, 0.0000151600000000 ] - [ -0.0085189900000000, 0.0065232400000000, 0.0065703600000000 ] - [ -0.0018195200000000, -0.0005247800000000, 0.0000094800000000 ] - [ 0.0012020500000000, -0.0015352600000000, -0.0013116800000000 ] - [ -0.0006334700000000, -0.0037027700000000, 0.0035371900000000 ] - [ -0.0006744200000000, 0.0000336600000000, 0.0001727000000000 ] - [ 0.0010307300000000, -0.0000064700000000, -0.0014404200000000 ] - [ -0.0006579300000000, -0.0006222600000000, -0.0001167900000000 ] - [ -0.0010592500000000, -0.0008790100000000, 0.0005804400000000 ] - [ -0.0005645300000000, 0.0005801300000000, 0.0000703400000000 ] - [ 0.0000966800000000, -0.0000936300000000, -0.0000761700000000 ] - [ -0.0011611600000000, -0.0004318100000000, 0.0003949300000000 ] - [ -0.0015931500000000, 0.0000788600000000, -0.0010324500000000 ] - [ -0.0019114600000000, 0.0008038200000000, -0.0001384700000000 ] - [ -0.0009608300000000, -0.0000439200000000, -0.0006498200000000 ] - [ -0.0006112100000000, 0.0004909200000000, 0.0000971200000000 ] - [ -0.0004615700000000, -0.0000246200000000, -0.0003914300000000 ] - [ 0.0020771100000000, -0.0007708900000000, -0.0055475900000000 ] - [ -0.0007681900000000, -0.0008530700000000, 0.0004782400000000 ] - [ -0.0005964900000000, 0.0002222900000000, -0.0003532500000000 ] - [ -0.0008264100000000, -0.0000984800000000, -0.0005198000000000 ] - [ -0.0012197100000000, -0.0004365600000000, 0.0003305400000000 ] - [ -0.0008844800000000, 0.0007859100000000, 0.0000194100000000 ] - [ -0.0007859500000000, -0.0002922600000000, -0.0002205900000000 ] - [ -0.0012888100000000, -0.0001282200000000, 0.0005966700000000 ] - [ -0.0008903900000000, -0.0006116000000000, 0.0003274700000000 ] - [ -0.0017700100000000, 0.0015623700000000, -0.0029926200000000 ] - [ -0.0005851100000000, -0.0002872100000000, 0.0003571300000000 ] - [ -0.0005555000000000, -0.0005773000000000, 0.0000640500000000 ] - [ -0.0012832100000000, 0.0001247500000000, 0.0005902300000000 ] - [ -0.0010624600000000, 0.0007175000000000, 0.0003713100000000 ] - [ -0.0066580700000000, -0.0005844200000000, -0.0003932600000000 ] - [ -0.0002780700000000, 0.0003893200000000, -0.0006922500000000 ] - [ -0.0011490100000000, 0.0000538700000000, -0.0007045200000000 ] - [ -0.0007661800000000, 0.0008486800000000, 0.0004721700000000 ] - [ -0.0007866400000000, 0.0001615400000000, -0.0001981400000000 ] - [ -0.0006240300000000, -0.0002452900000000, -0.0001051900000000 ] - [ -0.0010338500000000, -0.0002690500000000, -0.0001866800000000 ] - [ -0.0008203500000000, -0.0000972200000000, 0.0006283300000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000987200000000, 0.0001099000000000, -0.0002852600000000 ] - [ -0.0002053600000000, -0.0002483700000000, 0.0002029000000000 ] - [ 0.0002533100000000, -0.0001281800000000, -0.0002982700000000 ] - [ -0.0001851000000000, 0.0002491700000000, 0.0001785800000000 ] - [ 0.0001618600000000, 0.0001143100000000, -0.0003065000000000 ] - [ -0.0002196300000000, -0.0002421900000000, 0.0001704700000000 ] - [ 0.0001930400000000, -0.0001135000000000, -0.0002714000000000 ] - [ -0.0000947000000000, 0.0001367100000000, 0.0002939600000000 ] - [ 0.0006649900000000, 0.0001518900000000, -0.0008717900000000 ] - [ 0.0007474100000000, -0.0002970100000000, 0.0001242300000000 ] - [ 0.0005411100000000, 0.0002223600000000, 0.0001122800000000 ] - [ 0.0005205700000000, -0.0002224300000000, 0.0000945000000000 ] - [ 0.0006876200000000, 0.0001889900000000, -0.0003161500000000 ] - [ 0.0007211100000000, -0.0001948700000000, -0.0003527700000000 ] - [ -0.0015791000000000, 0.0006921400000000, -0.0002228000000000 ] - [ 0.0054757900000000, 0.0052329000000000, 0.0019495000000000 ] - [ 0.0004627200000000, -0.0000202700000000, -0.0000150300000000 ] - [ 0.0010678100000000, -0.0008440500000000, 0.0004760600000000 ] - [ 0.0010797900000000, 0.0008472000000000, 0.0004648700000000 ] - [ -0.0008047300000000, -0.0070375100000000, 0.0082949300000000 ] - [ 0.0012303200000000, 0.0000920100000000, -0.0000968200000000 ] - [ -0.0009463800000000, 0.0006768500000000, 0.0007735100000000 ] - [ 0.0002238100000000, 0.0000025000000000, -0.0003408300000000 ] - [ -0.0031025900000000, 0.0008176000000000, 0.0043256200000000 ] - [ 0.0010990100000000, -0.0000573700000000, -0.0003097200000000 ] - [ -0.0001488700000000, -0.0005910600000000, 0.0045262700000000 ] - [ -0.0022363700000000, 0.0003030000000000, 0.0029401700000000 ] - [ -0.0798804400000000, 0.0670304100000000, -0.0336086300000000 ] - [ 0.0011526800000000, -0.0000518000000000, 0.0004198000000000 ] - [ -0.0006304400000000, 0.0004780000000000, -0.0007414200000000 ] - [ 0.0004126300000000, 0.0000224500000000, -0.0000170300000000 ] - [ 0.0020604200000000, -0.0001541300000000, -0.0016153600000000 ] - [ 0.0002088600000000, 0.0000625500000000, -0.0003397300000000 ] - [ 0.0015796500000000, -0.0008936500000000, 0.0016911800000000 ] - [ 0.0016252800000000, -0.0060992200000000, -0.0019623700000000 ] - [ 0.0002146000000000, 0.0006968400000000, 0.0008446600000000 ] - [ 0.0012720600000000, 0.0001309500000000, -0.0003404700000000 ] - [ 0.0005526000000000, 0.0000188500000000, -0.0002392500000000 ] - [ 0.0006611600000000, 0.0000478000000000, -0.0000291400000000 ] - [ 0.0002222200000000, -0.0007019200000000, 0.0008469700000000 ] - [ 0.0010186200000000, 0.0000063700000000, -0.0002096600000000 ] - [ 0.0008628500000000, -0.0002034400000000, 0.0001062200000000 ] - [ 0.0005439400000000, 0.0003284700000000, -0.0001244900000000 ] - [ 0.0005446400000000, -0.0003290600000000, -0.0001246900000000 ] - [ 0.0006987800000000, -0.0000578500000000, -0.0000053700000000 ] - [ 0.0008542200000000, 0.0002026700000000, 0.0001066300000000 ] - [ 0.0005105800000000, -0.0000641800000000, -0.0001517500000000 ] - [ 0.0005490200000000, -0.0000183400000000, -0.0002226500000000 ] - [ -0.0006888500000000, 0.0001030400000000, -0.0003393400000000 ] - [ -0.0005681800000000, -0.0006192300000000, -0.0000535200000000 ] - [ -0.0003835400000000, -0.0001628900000000, -0.0002064400000000 ] - [ 0.0008460300000000, -0.0005332600000000, -0.0014169200000000 ] - [ 0.0012973400000000, -0.0006314600000000, -0.0009531900000000 ] - [ -0.0006256100000000, -0.0000037200000000, -0.0005721000000000 ] - [ 0.0013152700000000, -0.0009212800000000, -0.0014116200000000 ] - [ -0.0017972100000000, 0.0034796900000000, -0.0043492300000000 ] - [ 0.0000664400000000, 0.0000642000000000, 0.0002037600000000 ] - [ 0.0613564900000000, -0.0679650100000000, 0.0263767700000000 ] - [ -0.0002733400000000, -0.0000120300000000, -0.0004911500000000 ] - [ 0.0003140500000000, -0.0000073300000000, -0.0000132100000000 ] - [ 0.0001624400000000, -0.0007024600000000, 0.0003934700000000 ] - [ 0.0001627300000000, 0.0006959900000000, 0.0004059500000000 ] - [ -0.0002127900000000, 0.0000305700000000, -0.0001523400000000 ] - [ -0.0002659400000000, 0.0000108600000000, -0.0005037800000000 ] - [ 0.0003936600000000, -0.0002482100000000, -0.0002913700000000 ] - [ 0.0019780800000000, 0.0018531100000000, 0.0017596900000000 ] - [ -0.0016230600000000, 0.0137914900000000, 0.0014810100000000 ] - [ -0.0003312900000000, -0.0000325000000000, -0.0002111900000000 ] - [ -0.0007288300000000, -0.0000976000000000, -0.0003387000000000 ] - [ -0.0000109200000000, 0.0001535600000000, -0.0003420600000000 ] - [ -0.0006604800000000, 0.0001211100000000, -0.0001674000000000 ] - [ -0.0006892800000000, -0.0000973900000000, -0.0015383800000000 ] - [ -0.0003827400000000, 0.0005796200000000, 0.0001311200000000 ] - [ -0.0000354500000000, -0.0000300400000000, -0.0002395100000000 ] - [ 0.0000782200000000, -0.0000600200000000, 0.0001988700000000 ] - [ 0.0030570900000000, 0.0023314000000000, -0.0023581600000000 ] - [ 0.0004424700000000, -0.0002104900000000, -0.0004512800000000 ] - [ -0.0003813500000000, -0.0000825700000000, -0.0005887900000000 ] - [ 0.0072978000000000, -0.0099144700000000, 0.0052205700000000 ] - [ -0.0005432300000000, 0.0006128500000000, -0.0001434000000000 ] - [ -0.0004785500000000, -0.0001517100000000, -0.0000305200000000 ] - [ -0.0012381900000000, 0.0010113500000000, -0.0020656500000000 ] - [ -0.0000590800000000, -0.0002996600000000, -0.0002696000000000 ] - [ -0.0006176600000000, -0.0000049400000000, -0.0005473700000000 ] - [ -0.0000363500000000, -0.0001361300000000, -0.0002152300000000 ] - [ 0.0012341300000000, -0.0000582200000000, -0.0010194900000000 ] - [ 0.0016376900000000, -0.0015209900000000, 0.0007713700000000 ] - [ -0.0005101100000000, 0.0009179700000000, 0.0006112200000000 ] - [ -0.0003061000000000, 0.0000247100000000, -0.0001560500000000 ] - [ -0.0000039200000000, 0.0001317900000000, -0.0002092300000000 ] - [ 0.0007776500000000, -0.0007308600000000, 0.0002947700000000 ] - [ -0.0013039000000000, 0.0025550000000000, -0.0028609700000000 ] - [ -0.0002311800000000, 0.0000812000000000, 0.0001238500000000 ] - [ 0.0002877200000000, 0.0001717000000000, 0.0001894700000000 ] - [ -0.0005990300000000, -0.0000889200000000, -0.0002993100000000 ] - [ 0.0082531100000000, -0.0091515400000000, 0.0008354600000000 ] - [ -0.0006941800000000, 0.0000930300000000, -0.0003189700000000 ] - [ -0.0005043800000000, -0.0005950400000000, -0.0001105100000000 ] - [ -0.0003253100000000, -0.0001241300000000, -0.0000268500000000 ] - [ -0.0003886100000000, -0.0000738600000000, 0.0005827700000000 ] - [ -0.0001680600000000, 0.0003899900000000, 0.0003031500000000 ] - [ -0.0003277800000000, 0.0000581900000000, -0.0003607100000000 ] - [ -0.0003414000000000, -0.0000549800000000, 0.0000367100000000 ] - [ -0.0002109500000000, 0.0001062100000000, -0.0001328600000000 ] - [ -0.0017529700000000, 0.0005345800000000, 0.0026182500000000 ] - [ -0.0008653200000000, 0.0002743400000000, 0.0002653400000000 ] - [ -0.0030885900000000, 0.0009933200000000, 0.0009269800000000 ] - [ -0.0008658100000000, -0.0002738000000000, 0.0002630000000000 ] - [ 0.0002764800000000, -0.0008589000000000, -0.0000966000000000 ] - [ 0.0015033700000000, 0.0046425300000000, -0.0017638300000000 ] - [ -0.0001317000000000, 0.0000381600000000, -0.0002073000000000 ] - [ -0.0004296700000000, 0.0002097500000000, -0.0009508000000000 ] - [ -0.0000380700000000, -0.0002741000000000, 0.0000064200000000 ] - [ -0.0001637800000000, -0.0003877200000000, 0.0003019000000000 ] - [ -0.0000483200000000, 0.0004469700000000, -0.0000239100000000 ] - [ -0.0002333600000000, -0.0000746700000000, -0.0000404000000000 ] - [ -0.0007989500000000, -0.0002225900000000, -0.0002197000000000 ] - [ -0.0001875700000000, 0.0001249500000000, -0.0004523800000000 ] - [ -0.0006187000000000, 0.0000790100000000, -0.0002751700000000 ] - [ -0.0001546200000000, 0.0002320000000000, -0.0003937800000000 ] - [ -0.0000449800000000, 0.0002824400000000, -0.0000052500000000 ] - [ -0.0001256900000000, -0.0000407600000000, -0.0001794700000000 ] - [ 0.0001280300000000, 0.0000982200000000, 0.0002502100000000 ] - [ -0.0001766100000000, -0.0005972800000000, 0.0003919300000000 ] - [ 0.0000515100000000, 0.0000005100000000, -0.0002324100000000 ] - [ -0.0002245700000000, -0.0001210600000000, -0.0004575000000000 ] - [ -0.0003413300000000, 0.0000539500000000, 0.0000358000000000 ] - [ -0.0005504100000000, 0.0006158900000000, -0.0000815400000000 ] - [ 0.0000514100000000, -0.0000004200000000, -0.0002423800000000 ] - [ -0.0004654300000000, 0.0002267400000000, 0.0007206400000000 ] - [ -0.0004026700000000, -0.0005141000000000, 0.0001987300000000 ] - [ -0.0005024200000000, -0.0002888700000000, -0.0004439600000000 ] - [ -0.0001345300000000, -0.0000643100000000, -0.0002310600000000 ] - [ -0.0000495800000000, -0.0004473700000000, -0.0000268900000000 ] - [ -0.0004734600000000, -0.0002248500000000, 0.0007189000000000 ] - [ -0.0003941700000000, 0.0005081600000000, 0.0001889800000000 ] - [ -0.0000534200000000, 0.0002297100000000, -0.0002827500000000 ] - [ 0.0000043200000000, 0.0001325700000000, -0.0001721700000000 ] - [ -0.0001454300000000, -0.0002331700000000, -0.0003951000000000 ] - [ -0.0001740200000000, 0.0005961700000000, 0.0003910100000000 ] - [ -0.0003058700000000, 0.0001195200000000, -0.0000274500000000 ] - [ -0.0002095800000000, -0.0001058600000000, -0.0001310900000000 ] - [ -0.0006250800000000, -0.0001205500000000, -0.0002158900000000 ] - [ -0.0003901000000000, 0.0000727200000000, 0.0005831600000000 ]- atom: 58 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001291500000000, 0.0001267700000000, -0.0003124900000000 ] - [ -0.0004811500000000, -0.0002707300000000, 0.0001286800000000 ] - [ -0.0002857300000000, -0.0001092100000000, -0.0002999600000000 ] - [ -0.0005018700000000, 0.0002689100000000, 0.0001531000000000 ] - [ -0.0001934500000000, 0.0001222600000000, -0.0002908700000000 ] - [ -0.0004677700000000, -0.0002768900000000, 0.0001616700000000 ] - [ -0.0002245400000000, -0.0001241600000000, -0.0003274100000000 ] - [ -0.0005919900000000, 0.0003819100000000, 0.0000361100000000 ] - [ -0.0004523800000000, 0.0001528000000000, 0.0001787900000000 ] - [ -0.0005317500000000, -0.0000057900000000, -0.0008279300000000 ] - [ -0.0007325100000000, 0.0002870500000000, 0.0000866200000000 ] - [ -0.0007121200000000, -0.0002870300000000, 0.0001042900000000 ] - [ -0.0004725400000000, 0.0001143400000000, -0.0003830900000000 ] - [ -0.0005086700000000, -0.0001086600000000, -0.0003458400000000 ] - [ 0.0014081100000000, -0.0001914900000000, 0.0004288200000000 ] - [ -0.0055401800000000, -0.0058087000000000, -0.0016908900000000 ] - [ -0.0004894800000000, -0.0000805800000000, -0.0000813200000000 ] - [ 0.0001878900000000, -0.0007725400000000, 0.0003515000000000 ] - [ 0.0001756900000000, 0.0007689100000000, 0.0003625900000000 ] - [ 0.0002227800000000, 0.0082429700000000, -0.0067334800000000 ] - [ -0.0004068800000000, -0.0001434500000000, -0.0002354100000000 ] - [ 0.0010682400000000, -0.0005136200000000, -0.0012502100000000 ] - [ 0.0001765500000000, -0.0001637500000000, 0.0001458700000000 ] - [ 0.0025636000000000, -0.0019477500000000, -0.0026931900000000 ] - [ -0.0002754400000000, 0.0001082700000000, -0.0000198600000000 ] - [ 0.0008506800000000, 0.0001476400000000, -0.0041871200000000 ] - [ 0.0023311500000000, 0.0003838200000000, -0.0030189200000000 ] - [ 0.0783013900000000, -0.0676407700000000, 0.0328308300000000 ] - [ -0.0007619700000000, 0.0002147300000000, -0.0006295900000000 ] - [ 0.0013381400000000, -0.0000383600000000, 0.0011383000000000 ] - [ -0.0004389400000000, 0.0000782100000000, -0.0000790700000000 ] - [ -0.0019845200000000, -0.0000478900000000, 0.0011502900000000 ] - [ -0.0002337400000000, -0.0001600400000000, 0.0002401300000000 ] - [ -0.0003445700000000, -0.0007192100000000, -0.0008750400000000 ] - [ -0.0003826200000000, 0.0077067000000000, 0.0027555100000000 ] - [ -0.0007898300000000, 0.0004526100000000, 0.0008201800000000 ] - [ -0.0004535900000000, -0.0001836000000000, 0.0000098000000000 ] - [ -0.0004497800000000, 0.0001506100000000, -0.0002275100000000 ] - [ -0.0002661200000000, -0.0002092300000000, -0.0001724900000000 ] - [ -0.0007977000000000, -0.0004478500000000, 0.0008177800000000 ] - [ -0.0001885600000000, 0.0000414900000000, -0.0001153400000000 ] - [ -0.0001745500000000, -0.0002329700000000, 0.0002725100000000 ] - [ -0.0004794500000000, 0.0003613900000000, 0.0000817900000000 ] - [ -0.0004802700000000, -0.0003613300000000, 0.0000823600000000 ] - [ -0.0003047600000000, 0.0002195400000000, -0.0001980900000000 ] - [ -0.0001654800000000, 0.0002332600000000, 0.0002721600000000 ] - [ -0.0005398500000000, 0.0001650200000000, 0.0000600800000000 ] - [ -0.0004454100000000, -0.0001515100000000, -0.0002449200000000 ] - [ -0.0003549200000000, 0.0001652800000000, -0.0003552700000000 ] - [ 0.0000017200000000, -0.0003176600000000, -0.0002687200000000 ] - [ 0.0000556400000000, -0.0000713900000000, 0.0001677200000000 ] - [ -0.0013352000000000, 0.0002693500000000, 0.0025883700000000 ] - [ -0.0010319500000000, 0.0010779000000000, 0.0013748100000000 ] - [ -0.0002148400000000, 0.0000591000000000, -0.0004007300000000 ] - [ -0.0014138300000000, 0.0004882000000000, 0.0013019900000000 ] - [ 0.0016581500000000, -0.0033601200000000, 0.0040493600000000 ] - [ 0.0004136600000000, -0.0000166200000000, 0.0001359300000000 ] - [ -0.0610814800000000, 0.0684276300000000, -0.0250359000000000 ] - [ 0.0001802500000000, 0.0001277700000000, -0.0004832300000000 ] - [ -0.0013800000000000, -0.0003677400000000, 0.0007225400000000 ] - [ 0.0005039000000000, -0.0006022000000000, 0.0004163900000000 ] - [ 0.0005037500000000, 0.0006083700000000, 0.0004038500000000 ] - [ 0.0002802300000000, 0.0000556100000000, -0.0002800900000000 ] - [ 0.0001727800000000, -0.0001270700000000, -0.0004704700000000 ] - [ -0.0000633100000000, -0.0001116700000000, 0.0003029000000000 ] - [ -0.0017182000000000, -0.0023169700000000, -0.0013622800000000 ] - [ 0.0019275200000000, -0.0129703000000000, -0.0014839400000000 ] - [ 0.0005487500000000, -0.0000147900000000, 0.0000903200000000 ] - [ -0.0003144000000000, -0.0001711000000000, -0.0003560700000000 ] - [ 0.0002926900000000, 0.0001327700000000, -0.0003654400000000 ] - [ -0.0000122600000000, -0.0001521100000000, -0.0003826600000000 ] - [ 0.0010233400000000, 0.0007666400000000, 0.0009522200000000 ] - [ 0.0007241300000000, -0.0002189300000000, -0.0001150500000000 ] - [ 0.0001013100000000, -0.0000561600000000, -0.0001944600000000 ] - [ 0.0004017100000000, 0.0000122100000000, 0.0001410000000000 ] - [ -0.0030340400000000, -0.0033752700000000, 0.0030738000000000 ] - [ 0.0001786700000000, 0.0000330700000000, 0.0000210800000000 ] - [ 0.0006663400000000, -0.0002051200000000, -0.0001149400000000 ] - [ -0.0073221700000000, 0.0103160200000000, -0.0052447300000000 ] - [ -0.0000242100000000, 0.0003238500000000, -0.0001777600000000 ] - [ 0.0011130600000000, 0.0003346800000000, -0.0004020300000000 ] - [ 0.0008809000000000, -0.0002572300000000, 0.0036102300000000 ] - [ -0.0003404700000000, -0.0006201400000000, 0.0005514600000000 ] - [ -0.0002227000000000, -0.0000505400000000, -0.0004258300000000 ] - [ 0.0004240100000000, 0.0000488700000000, -0.0003091500000000 ] - [ -0.0009879400000000, -0.0007540700000000, 0.0009113900000000 ] - [ -0.0020186400000000, 0.0008328100000000, 0.0007598100000000 ] - [ 0.0001233300000000, 0.0000016100000000, -0.0003403100000000 ] - [ 0.0005244100000000, 0.0000226500000000, 0.0000344900000000 ] - [ 0.0003911200000000, -0.0000449200000000, -0.0003161200000000 ] - [ -0.0004558200000000, 0.0000731500000000, -0.0008971400000000 ] - [ 0.0013978600000000, -0.0015878700000000, 0.0036575600000000 ] - [ -0.0000989700000000, 0.0001537500000000, -0.0001685500000000 ] - [ -0.0004238600000000, -0.0002975400000000, -0.0005076800000000 ] - [ -0.0000753700000000, 0.0001189500000000, -0.0002489300000000 ] - [ -0.0086350100000000, 0.0093543800000000, 0.0002748400000000 ] - [ -0.0003490500000000, 0.0001750800000000, -0.0003766900000000 ] - [ -0.0000655400000000, -0.0003432800000000, -0.0002114400000000 ] - [ -0.0000029100000000, -0.0001103400000000, -0.0000144300000000 ] - [ -0.0000850600000000, -0.0001993500000000, 0.0005627900000000 ] - [ 0.0004495700000000, 0.0000479800000000, 0.0001089600000000 ] - [ -0.0005143500000000, -0.0000021700000000, -0.0006126400000000 ] - [ 0.0002621300000000, -0.0003895500000000, -0.0001626900000000 ] - [ 0.0000817900000000, 0.0000154000000000, -0.0001817500000000 ] - [ 0.0022819800000000, -0.0004928800000000, -0.0023298200000000 ] - [ -0.0001902900000000, 0.0000991300000000, 0.0004393500000000 ] - [ 0.0030063700000000, -0.0008524000000000, -0.0019042900000000 ] - [ -0.0001893700000000, -0.0000995900000000, 0.0004419500000000 ] - [ 0.0003924500000000, -0.0004431300000000, 0.0009106200000000 ] - [ -0.0008120700000000, -0.0033532300000000, 0.0025946300000000 ] - [ 0.0001984800000000, 0.0000479300000000, -0.0002254500000000 ] - [ 0.0003431200000000, -0.0003302500000000, -0.0000177300000000 ] - [ 0.0003742100000000, -0.0000847500000000, 0.0000023800000000 ] - [ 0.0004451600000000, -0.0000506800000000, 0.0001105100000000 ] - [ 0.0003100200000000, 0.0003554900000000, -0.0000894800000000 ] - [ 0.0004533200000000, 0.0000282300000000, -0.0000822000000000 ] - [ -0.0002427600000000, -0.0000458200000000, -0.0004747700000000 ] - [ 0.0004705300000000, 0.0001617200000000, -0.0002540000000000 ] - [ -0.0000561400000000, -0.0001085800000000, -0.0002735200000000 ] - [ 0.0004886700000000, 0.0004325300000000, -0.0001981200000000 ] - [ 0.0003811300000000, 0.0000760100000000, 0.0000148100000000 ] - [ 0.0001926800000000, -0.0000453800000000, -0.0002543600000000 ] - [ 0.0003576600000000, -0.0001477300000000, 0.0000769100000000 ] - [ 0.0002429500000000, -0.0004173800000000, 0.0003322000000000 ] - [ 0.0005751600000000, -0.0001802900000000, -0.0001994300000000 ] - [ 0.0005093900000000, -0.0001661000000000, -0.0002476000000000 ] - [ 0.0002624500000000, 0.0003901300000000, -0.0001623100000000 ] - [ -0.0000156300000000, 0.0003200000000000, -0.0002404900000000 ] - [ 0.0005749200000000, 0.0001797300000000, -0.0001892000000000 ] - [ 0.0001002200000000, 0.0004722100000000, 0.0008059500000000 ] - [ 0.0000080200000000, -0.0004032000000000, 0.0000776700000000 ] - [ -0.0003382300000000, 0.0002362500000000, -0.0005316300000000 ] - [ 0.0005238800000000, -0.0000246500000000, -0.0002922900000000 ] - [ 0.0003112700000000, -0.0003555500000000, -0.0000863900000000 ] - [ 0.0001084500000000, -0.0004746000000000, 0.0008073500000000 ] - [ -0.0000012000000000, 0.0004090700000000, 0.0000875100000000 ] - [ 0.0002535500000000, -0.0001863800000000, 0.0001623300000000 ] - [ 0.0003837200000000, -0.0000460100000000, -0.0003543000000000 ] - [ 0.0004791300000000, -0.0004318500000000, -0.0001964400000000 ] - [ 0.0002402700000000, 0.0004181000000000, 0.0003328900000000 ] - [ -0.0000236300000000, 0.0001153200000000, -0.0000146900000000 ] - [ 0.0000802500000000, -0.0000159300000000, -0.0001836600000000 ] - [ -0.0000477300000000, 0.0001514700000000, -0.0003335700000000 ] - [ -0.0000835000000000, 0.0002000600000000, 0.0005622900000000 ]- atom: 58 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0001076400000000, 0.0001234600000000, -0.0003449200000000 ] - [ -0.0004756400000000, -0.0002710900000000, 0.0001159400000000 ] - [ -0.0002773800000000, -0.0001189700000000, -0.0002598900000000 ] - [ -0.0004926100000000, 0.0002677400000000, 0.0001692400000000 ] - [ -0.0003031600000000, 0.0001275500000000, -0.0005033400000000 ] - [ -0.0005797000000000, -0.0003142100000000, -0.0003341100000000 ] - [ -0.0000444600000000, -0.0001060700000000, -0.0000604100000000 ] - [ -0.0000901500000000, 0.0001840800000000, 0.0007615100000000 ] - [ -0.0001499900000000, 0.0003361000000000, 0.0003935000000000 ] - [ -0.0007803500000000, 0.0001188000000000, -0.0010837200000000 ] - [ -0.0007192600000000, 0.0002878400000000, 0.0000786500000000 ] - [ -0.0006619000000000, -0.0002834900000000, 0.0001128300000000 ] - [ -0.0008249800000000, 0.0000825800000000, -0.0002157200000000 ] - [ -0.0001285200000000, -0.0001096400000000, -0.0005228500000000 ] - [ 0.0017747700000000, 0.0005655500000000, -0.0043299700000000 ] - [ -0.0014168100000000, -0.0000464400000000, 0.0109345900000000 ] - [ -0.0004825500000000, -0.0000819900000000, -0.0000632700000000 ] - [ 0.0002106700000000, -0.0007757100000000, 0.0003414600000000 ] - [ 0.0001970600000000, 0.0007690200000000, 0.0003777700000000 ] - [ 0.0055917800000000, 0.0102278100000000, -0.0054029100000000 ] - [ -0.0004563400000000, -0.0001579800000000, -0.0002600000000000 ] - [ 0.0012895300000000, -0.0006351600000000, -0.0025103900000000 ] - [ 0.0003973500000000, -0.0002136200000000, 0.0000175400000000 ] - [ 0.0038057000000000, 0.0005020100000000, -0.0078825800000000 ] - [ -0.0001555700000000, 0.0000769200000000, -0.0000092600000000 ] - [ -0.0014835400000000, -0.0023126200000000, -0.0034865600000000 ] - [ 0.0024619600000000, -0.0001495000000000, -0.0065179300000000 ] - [ 0.0554452900000000, -0.0290176200000000, 0.0527728600000000 ] - [ -0.0010010100000000, 0.0001754400000000, -0.0004024600000000 ] - [ 0.0036672200000000, 0.0008094000000000, -0.0001466400000000 ] - [ -0.0004023000000000, 0.0000740800000000, -0.0000914800000000 ] - [ -0.0017458900000000, -0.0007745100000000, 0.0021716200000000 ] - [ 0.0015667700000000, -0.0002330800000000, 0.0001840300000000 ] - [ -0.0016296300000000, -0.0012144100000000, -0.0053552200000000 ] - [ 0.0055172500000000, 0.0015540400000000, 0.0068233300000000 ] - [ -0.0007743700000000, 0.0004563900000000, 0.0008207500000000 ] - [ 0.0007010900000000, -0.0000180400000000, -0.0007115600000000 ] - [ -0.0003627800000000, 0.0001399400000000, -0.0003440200000000 ] - [ -0.0004684200000000, -0.0002862500000000, -0.0004163000000000 ] - [ -0.0007661200000000, -0.0004581500000000, 0.0008187800000000 ] - [ -0.0017447400000000, 0.0004983300000000, -0.0003790600000000 ] - [ -0.0000941500000000, -0.0002255700000000, 0.0002891900000000 ] - [ -0.0004533500000000, 0.0003543400000000, 0.0000508200000000 ] - [ -0.0004555000000000, -0.0003618900000000, 0.0001039000000000 ] - [ -0.0000285100000000, 0.0001335700000000, 0.0000462100000000 ] - [ -0.0001933300000000, 0.0002381600000000, 0.0002432300000000 ] - [ -0.0018919000000000, 0.0002220800000000, -0.0010860300000000 ] - [ -0.0004809100000000, -0.0001584600000000, -0.0001215800000000 ] - [ -0.0003693400000000, 0.0001661600000000, -0.0003418400000000 ] - [ -0.0000328700000000, -0.0003372600000000, -0.0002791200000000 ] - [ 0.0000876800000000, -0.0000893200000000, 0.0001583700000000 ] - [ -0.0018671100000000, 0.0000378300000000, 0.0043489700000000 ] - [ -0.0002723100000000, 0.0003966200000000, 0.0014462200000000 ] - [ -0.0002161700000000, 0.0000559800000000, -0.0004064800000000 ] - [ -0.0016756100000000, 0.0009628500000000, 0.0023473600000000 ] - [ 0.0011093100000000, -0.0014928900000000, 0.0013271200000000 ] - [ 0.0004119600000000, -0.0000169900000000, 0.0001299600000000 ] - [ -0.0721205000000000, 0.0248232900000000, -0.0686223200000000 ] - [ 0.0001707800000000, 0.0001239600000000, -0.0004927800000000 ] - [ -0.0007313400000000, 0.0001942600000000, 0.0023851600000000 ] - [ 0.0004989300000000, -0.0005982400000000, 0.0004263600000000 ] - [ 0.0004936500000000, 0.0006143800000000, 0.0003943200000000 ] - [ 0.0003363200000000, 0.0000090600000000, -0.0004245600000000 ] - [ 0.0001626500000000, -0.0001257700000000, -0.0004624600000000 ] - [ -0.0002042600000000, -0.0000698100000000, 0.0009257500000000 ] - [ -0.0041979400000000, -0.0033585600000000, -0.0009369300000000 ] - [ 0.0002922300000000, 0.0029674900000000, -0.0004837000000000 ] - [ 0.0005617700000000, -0.0000131900000000, 0.0001066600000000 ] - [ -0.0003160500000000, -0.0001731500000000, -0.0003671700000000 ] - [ 0.0001737700000000, 0.0001729200000000, -0.0003534400000000 ] - [ -0.0000649400000000, -0.0001318100000000, -0.0003888000000000 ] - [ 0.0018234600000000, 0.0017044100000000, 0.0011636100000000 ] - [ 0.0008921700000000, 0.0001193500000000, -0.0010354900000000 ] - [ 0.0000417000000000, -0.0000826000000000, -0.0000620700000000 ] - [ 0.0003886600000000, 0.0000104700000000, 0.0001491700000000 ] - [ 0.0001916800000000, -0.0017985900000000, 0.0041044000000000 ] - [ 0.0001400500000000, 0.0000653500000000, 0.0002398500000000 ] - [ 0.0007743500000000, -0.0001543100000000, -0.0001567600000000 ] - [ -0.0037936900000000, 0.0050060400000000, -0.0087311900000000 ] - [ -0.0000129600000000, 0.0003164200000000, -0.0001628100000000 ] - [ 0.0009539100000000, 0.0004256200000000, -0.0006140000000000 ] - [ 0.0041606800000000, -0.0034534300000000, 0.0114175700000000 ] - [ -0.0003908700000000, -0.0007839200000000, 0.0008935000000000 ] - [ -0.0002415700000000, -0.0000500300000000, -0.0004302900000000 ] - [ 0.0004270600000000, 0.0000535200000000, -0.0003181800000000 ] - [ -0.0020350300000000, -0.0020905600000000, 0.0023993900000000 ] - [ -0.0020475500000000, 0.0005766000000000, 0.0023262400000000 ] - [ 0.0003553800000000, 0.0000265900000000, -0.0005643600000000 ] - [ 0.0004693800000000, 0.0000274700000000, 0.0000040600000000 ] - [ 0.0003670700000000, -0.0000323800000000, -0.0003021600000000 ] - [ -0.0013089000000000, 0.0002812600000000, -0.0011384500000000 ] - [ 0.0013700100000000, -0.0026117200000000, 0.0062488000000000 ] - [ -0.0001453500000000, 0.0001180200000000, -0.0001670900000000 ] - [ -0.0007002900000000, -0.0002346600000000, 0.0001649900000000 ] - [ -0.0000661600000000, 0.0001243200000000, -0.0002319200000000 ] - [ 0.0105482100000000, -0.0031828900000000, 0.0099948800000000 ] - [ 0.0000457600000000, 0.0003381400000000, -0.0002081000000000 ] - [ 0.0004832100000000, -0.0000409800000000, -0.0003623800000000 ] - [ -0.0001411300000000, -0.0001545700000000, -0.0000527600000000 ] - [ -0.0000888300000000, -0.0002015400000000, 0.0005738800000000 ] - [ 0.0004169400000000, 0.0000639700000000, 0.0001185400000000 ] - [ -0.0009157300000000, 0.0000080100000000, -0.0001539600000000 ] - [ 0.0002367800000000, -0.0003744000000000, -0.0001433500000000 ] - [ 0.0000692600000000, 0.0000219800000000, -0.0002043000000000 ] - [ -0.0017352700000000, 0.0002015900000000, 0.0011379800000000 ] - [ -0.0002089700000000, 0.0001037400000000, 0.0004300000000000 ] - [ -0.0022252300000000, -0.0008516600000000, -0.0041871500000000 ] - [ -0.0002026700000000, -0.0001010200000000, 0.0004442000000000 ] - [ 0.0007555000000000, 0.0005599700000000, 0.0025986900000000 ] - [ -0.0021269200000000, 0.0022027400000000, -0.0030589300000000 ] - [ 0.0001835900000000, 0.0000342400000000, -0.0004704400000000 ] - [ 0.0009186400000000, -0.0010539300000000, 0.0014098100000000 ] - [ 0.0004017100000000, -0.0000284500000000, 0.0000965300000000 ] - [ 0.0004500700000000, -0.0000502500000000, 0.0001068800000000 ] - [ 0.0003025500000000, 0.0003572800000000, -0.0000926600000000 ] - [ 0.0000183700000000, 0.0000224900000000, 0.0005639100000000 ] - [ -0.0008963800000000, -0.0000583100000000, -0.0004506000000000 ] - [ 0.0007215700000000, 0.0001899800000000, -0.0001449400000000 ] - [ 0.0002415000000000, -0.0003822500000000, -0.0006027300000000 ] - [ 0.0004003300000000, 0.0004223300000000, -0.0002052800000000 ] - [ 0.0003297200000000, 0.0001469400000000, -0.0000826200000000 ] - [ 0.0001704800000000, -0.0000587600000000, -0.0000256900000000 ] - [ 0.0005397000000000, 0.0004428300000000, 0.0021540400000000 ] - [ 0.0002305000000000, -0.0004226400000000, 0.0003294100000000 ] - [ 0.0005213800000000, -0.0001586500000000, -0.0001340000000000 ] - [ 0.0002218600000000, -0.0001188600000000, -0.0003459800000000 ] - [ 0.0002554300000000, 0.0003867900000000, -0.0001684200000000 ] - [ -0.0002770300000000, 0.0004812900000000, -0.0000114500000000 ] - [ 0.0006013400000000, 0.0001916700000000, -0.0002687400000000 ] - [ 0.0000856700000000, 0.0004667000000000, 0.0008064800000000 ] - [ -0.0000711400000000, -0.0004506000000000, 0.0001364100000000 ] - [ 0.0006757400000000, -0.0005341200000000, -0.0000986100000000 ] - [ -0.0002317400000000, -0.0001047100000000, -0.0002351900000000 ] - [ 0.0003012600000000, -0.0003564500000000, -0.0000848600000000 ] - [ 0.0000959400000000, -0.0004686500000000, 0.0008056400000000 ] - [ 0.0000642900000000, 0.0003632000000000, 0.0000385400000000 ] - [ 0.0031501600000000, 0.0005031400000000, -0.0006553200000000 ] - [ 0.0008329700000000, -0.0002611900000000, -0.0002882000000000 ] - [ 0.0005384800000000, -0.0004285800000000, -0.0001971200000000 ] - [ 0.0002310100000000, 0.0004212600000000, 0.0003396100000000 ] - [ 0.0000809200000000, 0.0000775900000000, 0.0000462300000000 ] - [ 0.0000782000000000, -0.0000104000000000, -0.0001530800000000 ] - [ -0.0003292200000000, -0.0000240600000000, -0.0000119300000000 ] - [ -0.0000954900000000, 0.0001882600000000, 0.0005480800000000 ]- atom: 58 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0000773900000000, 0.0001133200000000, -0.0002525600000000 ] - [ -0.0002107900000000, -0.0002476800000000, 0.0002158500000000 ] - [ 0.0002448000000000, -0.0001180700000000, -0.0003385300000000 ] - [ -0.0001944300000000, 0.0002504300000000, 0.0001625200000000 ] - [ 0.0002714800000000, 0.0001091000000000, -0.0000951300000000 ] - [ -0.0001079300000000, -0.0002048000000000, 0.0006641500000000 ] - [ 0.0000139400000000, -0.0001311600000000, -0.0005364200000000 ] - [ -0.0005935700000000, 0.0003335300000000, -0.0004268000000000 ] - [ 0.0003619000000000, -0.0000309800000000, -0.0010867700000000 ] - [ 0.0009995800000000, -0.0004225300000000, 0.0003797700000000 ] - [ 0.0005288500000000, 0.0002220000000000, 0.0001207700000000 ] - [ 0.0004711800000000, -0.0002261500000000, 0.0000864700000000 ] - [ 0.0010382500000000, 0.0002205900000000, -0.0004836000000000 ] - [ 0.0003444500000000, -0.0001936800000000, -0.0001777600000000 ] - [ -0.0019574300000000, -0.0000547900000000, 0.0045118500000000 ] - [ 0.0014204800000000, -0.0004150400000000, -0.0106837000000000 ] - [ 0.0004548000000000, -0.0000184600000000, -0.0000331100000000 ] - [ 0.0010449600000000, -0.0008402300000000, 0.0004856100000000 ] - [ 0.0010583300000000, 0.0008469300000000, 0.0004493300000000 ] - [ -0.0062434900000000, -0.0090564400000000, 0.0070831600000000 ] - [ 0.0012795600000000, 0.0001066300000000, -0.0000718600000000 ] - [ -0.0011675300000000, 0.0008012300000000, 0.0020388500000000 ] - [ 0.0000044900000000, 0.0000525700000000, -0.0002100300000000 ] - [ -0.0043651800000000, -0.0016509100000000, 0.0095466800000000 ] - [ 0.0009783500000000, -0.0000256700000000, -0.0003194000000000 ] - [ 0.0021980300000000, 0.0019118800000000, 0.0038201200000000 ] - [ -0.0023694000000000, 0.0008298100000000, 0.0064434900000000 ] - [ -0.0563951200000000, 0.0288091800000000, -0.0527783200000000 ] - [ 0.0013928800000000, -0.0000116300000000, 0.0001887700000000 ] - [ -0.0029473000000000, -0.0003664800000000, 0.0005389400000000 ] - [ 0.0003751500000000, 0.0000266600000000, -0.0000047600000000 ] - [ 0.0018144300000000, 0.0005730100000000, -0.0026393600000000 ] - [ -0.0015866700000000, 0.0001319200000000, -0.0002831400000000 ] - [ 0.0028591600000000, -0.0003937200000000, 0.0061658000000000 ] - [ -0.0042216700000000, 0.0000037800000000, -0.0060325700000000 ] - [ 0.0001984800000000, 0.0006935300000000, 0.0008441000000000 ] - [ 0.0001252200000000, -0.0000328000000000, 0.0003777500000000 ] - [ 0.0004685200000000, 0.0000299000000000, -0.0001233100000000 ] - [ 0.0008637000000000, 0.0001245800000000, 0.0002129300000000 ] - [ 0.0001900500000000, -0.0006918500000000, 0.0008458200000000 ] - [ 0.0025618000000000, -0.0004448900000000, 0.0000470500000000 ] - [ 0.0007846300000000, -0.0002102200000000, 0.0000893500000000 ] - [ 0.0005177500000000, 0.0003353300000000, -0.0000941700000000 ] - [ 0.0005198900000000, -0.0003279500000000, -0.0001466900000000 ] - [ 0.0004256200000000, 0.0000272700000000, -0.0002475200000000 ] - [ 0.0008834800000000, 0.0001976400000000, 0.0001348400000000 ] - [ 0.0018577900000000, -0.0001218100000000, 0.0009908800000000 ] - [ 0.0005864100000000, -0.0000116100000000, -0.0003450200000000 ] - [ -0.0006731500000000, 0.0001043900000000, -0.0003522800000000 ] - [ -0.0005337200000000, -0.0005986100000000, -0.0000438700000000 ] - [ -0.0004162200000000, -0.0001449900000000, -0.0001966000000000 ] - [ 0.0013809600000000, -0.0002984100000000, -0.0031894600000000 ] - [ 0.0005410800000000, 0.0000500400000000, -0.0010229900000000 ] - [ -0.0006251500000000, -0.0000015300000000, -0.0005679100000000 ] - [ 0.0015794700000000, -0.0013966900000000, -0.0024595200000000 ] - [ -0.0012309900000000, 0.0015878600000000, -0.0015970700000000 ] - [ 0.0000681200000000, 0.0000644300000000, 0.0002081300000000 ] - [ 0.0721395100000000, -0.0247861000000000, 0.0693597600000000 ] - [ -0.0002634400000000, -0.0000067800000000, -0.0004809300000000 ] - [ -0.0003312300000000, -0.0005684800000000, -0.0016747100000000 ] - [ 0.0001675800000000, -0.0007052900000000, 0.0003843200000000 ] - [ 0.0001730100000000, 0.0006891700000000, 0.0004163800000000 ] - [ -0.0002702700000000, 0.0000777600000000, -0.0000056600000000 ] - [ -0.0002554100000000, 0.0000084600000000, -0.0005111900000000 ] - [ 0.0005341200000000, -0.0002910800000000, -0.0009155400000000 ] - [ 0.0044363000000000, 0.0028950800000000, 0.0013418100000000 ] - [ -0.0000114600000000, -0.0021773400000000, 0.0003193100000000 ] - [ -0.0003459400000000, -0.0000342800000000, -0.0002291500000000 ] - [ -0.0007260000000000, -0.0000975400000000, -0.0003269400000000 ] - [ 0.0001067200000000, 0.0001119400000000, -0.0003556100000000 ] - [ -0.0006086300000000, 0.0001000000000000, -0.0001629800000000 ] - [ -0.0014989500000000, -0.0010490700000000, -0.0017523200000000 ] - [ -0.0005496600000000, 0.0002393200000000, 0.0010556900000000 ] - [ 0.0000229300000000, -0.0000036000000000, -0.0003715300000000 ] - [ 0.0000913100000000, -0.0000577400000000, 0.0001890300000000 ] - [ -0.0001582200000000, 0.0008168700000000, -0.0034051200000000 ] - [ 0.0004792600000000, -0.0002409600000000, -0.0006716900000000 ] - [ -0.0004910300000000, -0.0001323700000000, -0.0005471600000000 ] - [ 0.0037592000000000, -0.0046068100000000, 0.0086176700000000 ] - [ -0.0005550900000000, 0.0006198500000000, -0.0001589500000000 ] - [ -0.0003195800000000, -0.0002440500000000, 0.0001815300000000 ] - [ -0.0044185000000000, 0.0040927300000000, -0.0097362900000000 ] - [ -0.0000100300000000, -0.0001364000000000, -0.0006120800000000 ] - [ -0.0005995700000000, -0.0000042000000000, -0.0005445700000000 ] - [ -0.0000393200000000, -0.0001399900000000, -0.0002061600000000 ] - [ 0.0022939900000000, 0.0012869400000000, -0.0025114800000000 ] - [ 0.0016778700000000, -0.0012753300000000, -0.0008011700000000 ] - [ -0.0007402100000000, 0.0008935200000000, 0.0008353600000000 ] - [ -0.0002522400000000, 0.0000204500000000, -0.0001271400000000 ] - [ 0.0000203700000000, 0.0001187100000000, -0.0002233300000000 ] - [ 0.0016258500000000, -0.0009382800000000, 0.0005332900000000 ] - [ -0.0012608700000000, 0.0035781900000000, -0.0054458800000000 ] - [ -0.0001853600000000, 0.0001178400000000, 0.0001214700000000 ] - [ 0.0005642500000000, 0.0001107600000000, -0.0004801200000000 ] - [ -0.0006096300000000, -0.0000934600000000, -0.0003178900000000 ] - [ -0.0113480800000000, 0.0034557200000000, -0.0090736600000000 ] - [ -0.0010865700000000, -0.0000667400000000, -0.0004858800000000 ] - [ -0.0010477400000000, -0.0008931000000000, 0.0000393600000000 ] - [ -0.0001886200000000, -0.0000805900000000, 0.0000109800000000 ] - [ -0.0003850300000000, -0.0000705500000000, 0.0005706700000000 ] - [ -0.0001354400000000, 0.0003742700000000, 0.0002928000000000 ] - [ 0.0000730000000000, 0.0000469400000000, -0.0008186100000000 ] - [ -0.0003167000000000, -0.0000696300000000, 0.0000184200000000 ] - [ -0.0001987000000000, 0.0000987200000000, -0.0001095300000000 ] - [ 0.0022174400000000, -0.0001535500000000, -0.0008008700000000 ] - [ -0.0008458800000000, 0.0002700000000000, 0.0002751300000000 ] - [ 0.0021041800000000, 0.0009812300000000, 0.0032088400000000 ] - [ -0.0008517500000000, -0.0002722600000000, 0.0002612600000000 ] - [ -0.0000848300000000, -0.0018581500000000, -0.0017803000000000 ] - [ 0.0027896500000000, -0.0009272700000000, 0.0038807200000000 ] - [ -0.0001181200000000, 0.0000522300000000, 0.0000371000000000 ] - [ -0.0010021300000000, 0.0009295300000000, -0.0023731800000000 ] - [ -0.0000656800000000, -0.0003300300000000, -0.0000870600000000 ] - [ -0.0001683900000000, -0.0003879200000000, 0.0003046300000000 ] - [ -0.0000401500000000, 0.0004442300000000, -0.0000219900000000 ] - [ 0.0001967500000000, -0.0000698900000000, -0.0006839800000000 ] - [ -0.0001485300000000, -0.0002125700000000, -0.0002431800000000 ] - [ -0.0004376600000000, 0.0000954400000000, -0.0005614400000000 ] - [ -0.0009150600000000, 0.0003492100000000, 0.0000507600000000 ] - [ -0.0000683800000000, 0.0002417700000000, -0.0003877000000000 ] - [ 0.0000058400000000, 0.0002123400000000, 0.0000915300000000 ] - [ -0.0001052200000000, -0.0000275800000000, -0.0004053800000000 ] - [ -0.0000568200000000, -0.0004908600000000, -0.0018196400000000 ] - [ -0.0001646800000000, -0.0005919300000000, 0.0003944300000000 ] - [ 0.0001032300000000, -0.0000193200000000, -0.0002977900000000 ] - [ 0.0000598100000000, -0.0001663100000000, -0.0003610400000000 ] - [ -0.0003347900000000, 0.0000572100000000, 0.0000427700000000 ] - [ -0.0002911400000000, 0.0004550500000000, -0.0003100500000000 ] - [ 0.0000236300000000, -0.0000135300000000, -0.0001637300000000 ] - [ -0.0004501600000000, 0.0002329200000000, 0.0007197600000000 ] - [ -0.0003250200000000, -0.0004676800000000, 0.0001410500000000 ] - [ -0.0015167900000000, 0.0004807700000000, -0.0008773400000000 ] - [ 0.0006167000000000, 0.0000179200000000, -0.0002887300000000 ] - [ -0.0000389500000000, -0.0004452000000000, -0.0000296200000000 ] - [ -0.0004603700000000, -0.0002310100000000, 0.0007202600000000 ] - [ -0.0004601600000000, 0.0005546800000000, 0.0002383700000000 ] - [ -0.0029120800000000, -0.0004513400000000, 0.0005278300000000 ] - [ -0.0004437000000000, 0.0003468600000000, -0.0002376600000000 ] - [ -0.0002058200000000, -0.0002356600000000, -0.0003954000000000 ] - [ -0.0001652200000000, 0.0005932700000000, 0.0003840200000000 ] - [ -0.0004105100000000, 0.0001577600000000, -0.0000879500000000 ] - [ -0.0002077700000000, -0.0001100300000000, -0.0001604500000000 ] - [ -0.0003465700000000, 0.0000548000000000, -0.0005375800000000 ] - [ -0.0003783500000000, 0.0000837000000000, 0.0005962300000000 ]- atom: 59 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0001693900000000, 0.0001331000000000, -0.0002396100000000 ] - [ 0.0003121300000000, -0.0003324900000000, 0.0005190500000000 ] - [ -0.0010963300000000, -0.0002599000000000, -0.0005892900000000 ] - [ 0.0013470900000000, 0.0000761700000000, -0.0007242800000000 ] - [ -0.0004560500000000, 0.0001285500000000, -0.0003082000000000 ] - [ -0.0007141600000000, -0.0002866200000000, 0.0000994400000000 ] - [ -0.0005208700000000, -0.0001210100000000, -0.0003100700000000 ] - [ -0.0007241000000000, 0.0002862200000000, 0.0001067800000000 ] - [ -0.0015856400000000, 0.0000597500000000, -0.0008400600000000 ] - [ -0.0012485800000000, -0.0000706900000000, 0.0000199700000000 ] - [ 0.0064432200000000, 0.0012712200000000, -0.0020696900000000 ] - [ 0.0131091200000000, -0.0094709500000000, -0.0062270800000000 ] - [ -0.0014188800000000, 0.0000811900000000, -0.0001766200000000 ] - [ -0.0013989900000000, -0.0000078300000000, -0.0005754000000000 ] - [ -0.0016867000000000, 0.0003354100000000, 0.0000908900000000 ] - [ -0.0016854800000000, -0.0003384700000000, 0.0000885800000000 ] - [ 0.0026778200000000, -0.0071189700000000, 0.0093039600000000 ] - [ 0.0043505500000000, -0.0013930100000000, 0.0002008300000000 ] - [ 0.1216648300000000, 0.0816711400000000, 0.0575295700000000 ] - [ -0.0015677000000000, 0.0002644600000000, 0.0007871200000000 ] - [ 0.0006968600000000, 0.0002353700000000, 0.0036740900000000 ] - [ -0.0011408300000000, 0.0002081800000000, -0.0001474900000000 ] - [ -0.0007627400000000, -0.0003644400000000, -0.0003953400000000 ] - [ -0.0015838300000000, -0.0002560700000000, 0.0008110400000000 ] - [ -0.0008879400000000, -0.0000636000000000, -0.0026484500000000 ] - [ -0.0009821900000000, -0.0002426900000000, 0.0004633400000000 ] - [ -0.0012480300000000, 0.0003797800000000, 0.0002433900000000 ] - [ -0.0012902500000000, -0.0003867400000000, 0.0002416900000000 ] - [ -0.0013347400000000, 0.0003501300000000, -0.0000820900000000 ] - [ -0.0009341100000000, 0.0002583200000000, 0.0003476500000000 ] - [ 0.0026785900000000, 0.0008883100000000, -0.0019358700000000 ] - [ -0.0013027700000000, -0.0003020400000000, -0.0003451500000000 ] - [ -0.0011706100000000, -0.0001255200000000, -0.0001283100000000 ] - [ -0.0004998000000000, -0.0007131000000000, 0.0002688900000000 ] - [ -0.0005117800000000, 0.0007133300000000, 0.0002697300000000 ] - [ 0.0011669900000000, 0.0012647200000000, 0.0037280200000000 ] - [ -0.0015235300000000, -0.0002795300000000, -0.0001248200000000 ] - [ -0.0006245100000000, 0.0000171700000000, -0.0006549100000000 ] - [ -0.0008320900000000, -0.0004124100000000, -0.0001363400000000 ] - [ 0.0029331200000000, -0.0016917400000000, -0.0068671800000000 ] - [ -0.0014839900000000, 0.0002660000000000, -0.0000349600000000 ] - [ -0.0014679100000000, -0.0003196600000000, -0.0007963300000000 ] - [ 0.0005897800000000, 0.0002305100000000, -0.0011666200000000 ] - [ -0.0031897700000000, -0.0006732900000000, 0.0011383700000000 ] - [ -0.0012018200000000, 0.0004520300000000, -0.0005149100000000 ] - [ -0.0002343800000000, 0.0002928500000000, 0.0009909300000000 ] - [ -0.0011503500000000, 0.0001248800000000, -0.0001257000000000 ] - [ -0.0020067300000000, -0.0006536300000000, 0.0001633800000000 ] - [ -0.0005426700000000, 0.0005421400000000, 0.0005568600000000 ] - [ 0.0004527200000000, -0.0004792700000000, 0.0002825200000000 ] - [ 0.0003811000000000, -0.0000976300000000, -0.0001767700000000 ] - [ 0.0001437400000000, -0.0002918500000000, 0.0005447300000000 ] - [ 0.0009307100000000, -0.0002222800000000, -0.0000574000000000 ] - [ -0.0023835500000000, -0.0030549100000000, -0.0045922400000000 ] - [ 0.0007061000000000, -0.0006311300000000, -0.0003172200000000 ] - [ 0.0003220500000000, -0.0000523000000000, -0.0002399500000000 ] - [ -0.0125723100000000, -0.0034339100000000, -0.0006754800000000 ] - [ 0.0003420900000000, -0.0000416000000000, 0.0005826900000000 ] - [ -0.1301782400000000, -0.0754154100000000, -0.0531812900000000 ] - [ 0.0003235700000000, 0.0000343300000000, 0.0005743900000000 ] - [ -0.0013050700000000, -0.0009454100000000, 0.0009683200000000 ] - [ -0.0119282300000000, 0.0021619400000000, -0.0038630800000000 ] - [ 0.0006941200000000, 0.0000689800000000, -0.0002589800000000 ] - [ -0.0020472300000000, 0.0005029800000000, -0.0005089100000000 ] - [ 0.0006490900000000, 0.0000365600000000, -0.0000215400000000 ] - [ 0.0009084700000000, 0.0002033700000000, -0.0000251600000000 ] - [ 0.0005859100000000, 0.0002846500000000, -0.0001375700000000 ] - [ -0.0025149900000000, -0.0003869800000000, -0.0008150700000000 ] - [ 0.0039031700000000, 0.0041665600000000, -0.0065887500000000 ] - [ 0.0008233600000000, 0.0002362300000000, 0.0000550900000000 ] - [ 0.0005320800000000, 0.0003385100000000, 0.0006357000000000 ] - [ 0.0009574700000000, 0.0005812700000000, -0.0001024200000000 ] - [ 0.0007619200000000, -0.0001050200000000, 0.0000374400000000 ] - [ 0.0002891000000000, -0.0000308500000000, -0.0002771900000000 ] - [ -0.0010790400000000, -0.0002796800000000, 0.0004490000000000 ] - [ 0.0005658800000000, -0.0002789200000000, 0.0002827500000000 ] - [ 0.0008859000000000, -0.0002858800000000, -0.0002010700000000 ] - [ 0.0008964400000000, -0.0003354600000000, -0.0004263600000000 ] - [ 0.0007483500000000, 0.0006650600000000, -0.0003070500000000 ] - [ -0.0000740500000000, 0.0002962000000000, -0.0007620200000000 ] - [ 0.0010877800000000, 0.0003472600000000, -0.0001027900000000 ] - [ 0.0005443500000000, 0.0006633300000000, 0.0008787400000000 ] - [ 0.0003177000000000, -0.0003232800000000, -0.0000954400000000 ] - [ -0.0010435400000000, -0.0005583300000000, 0.0054147600000000 ] - [ 0.0029509600000000, 0.0030070100000000, -0.0022867300000000 ] - [ 0.0005902400000000, -0.0002809100000000, -0.0001437600000000 ] - [ 0.0005512700000000, -0.0006666200000000, 0.0008751600000000 ] - [ 0.0003024200000000, 0.0003428200000000, 0.0000997700000000 ] - [ -0.0003092500000000, 0.0012751300000000, 0.0023195500000000 ] - [ -0.0002061700000000, -0.0001792600000000, 0.0002328300000000 ] - [ 0.0009574100000000, -0.0005800300000000, 0.0000027800000000 ] - [ 0.0005585300000000, 0.0002799000000000, 0.0002934800000000 ] - [ 0.0001147100000000, 0.0000877400000000, 0.0001294300000000 ] - [ 0.0002913600000000, 0.0000593800000000, -0.0001983800000000 ] - [ 0.0000183800000000, 0.0002195300000000, -0.0009391200000000 ] - [ 0.0001569100000000, 0.0002957100000000, 0.0005407400000000 ] - [ -0.0000527400000000, 0.0002250700000000, -0.0003679300000000 ] - [ 0.0004216400000000, -0.0000870900000000, -0.0003379900000000 ] - [ 0.0002401900000000, -0.0000928600000000, 0.0000821200000000 ] - [ -0.0005185000000000, -0.0001722100000000, 0.0008112800000000 ] - [ 0.0007389600000000, -0.0000676900000000, 0.0005817100000000 ] - [ 0.0000927900000000, 0.0000975200000000, -0.0002980400000000 ] - [ -0.0000037900000000, -0.0000170300000000, 0.0005680000000000 ] - [ 0.0006599900000000, -0.0004251200000000, 0.0002482200000000 ] - [ 0.0006717600000000, -0.0000763400000000, 0.0000873800000000 ] - [ 0.0079572300000000, -0.0028269600000000, -0.0016595100000000 ] - [ 0.0005265700000000, 0.0002372700000000, -0.0004628900000000 ] - [ -0.0016116200000000, 0.0002005600000000, 0.0012944300000000 ] - [ 0.0007682800000000, -0.0005285500000000, 0.0004209700000000 ] - [ 0.0007699500000000, 0.0005301000000000, 0.0004187200000000 ] - [ 0.0004704100000000, 0.0000544400000000, -0.0002806900000000 ] - [ 0.0005206900000000, -0.0002363800000000, -0.0004592500000000 ] - [ 0.0005262000000000, 0.0000496900000000, 0.0001301800000000 ] - [ 0.0002049100000000, -0.0004107900000000, -0.0004144800000000 ] - [ -0.0005415000000000, 0.0008993100000000, -0.0016252900000000 ] - [ 0.0011976900000000, -0.0000119400000000, 0.0002617900000000 ] - [ -0.0000362600000000, -0.0002274100000000, -0.0003665100000000 ] - [ 0.0009514600000000, 0.0001752500000000, -0.0001377200000000 ] - [ 0.0004093400000000, -0.0003263600000000, -0.0004001400000000 ] - [ 0.0011900500000000, 0.0007686800000000, 0.0002615700000000 ] - [ 0.0008746500000000, -0.0000838500000000, 0.0000146500000000 ] - [ 0.0004020300000000, -0.0000540800000000, -0.0002733100000000 ] - [ 0.0006660700000000, 0.0000749300000000, 0.0000906000000000 ] - [ 0.0047231700000000, 0.0093987900000000, 0.0097348500000000 ] - [ 0.0008046700000000, -0.0002406300000000, -0.0000955400000000 ] - [ 0.0010991200000000, -0.0002034600000000, -0.0000310000000000 ] - [ 0.0022174900000000, 0.0016304600000000, -0.0012386800000000 ] - [ 0.0004030300000000, 0.0000923300000000, -0.0003012700000000 ] - [ 0.0012056900000000, 0.0004051200000000, -0.0002347600000000 ] - [ -0.0024715800000000, -0.0007392500000000, -0.0000102300000000 ] - [ 0.0001694000000000, -0.0004084800000000, 0.0001910800000000 ] - [ 0.0000904600000000, -0.0000939900000000, -0.0003077200000000 ] - [ 0.0007439300000000, 0.0001882500000000, -0.0003879300000000 ] - [ -0.0020647900000000, -0.0021896100000000, 0.0015888000000000 ] - [ -0.0031076900000000, 0.0003079600000000, 0.0027734800000000 ] - [ 0.0004937700000000, 0.0002516300000000, -0.0002026500000000 ] - [ 0.0011944800000000, 0.0000155200000000, 0.0002417700000000 ] - [ 0.0007319000000000, -0.0001877300000000, -0.0003926300000000 ] - [ 0.0005845700000000, -0.0003619800000000, -0.0003804500000000 ] - [ -0.0011247400000000, 0.0012856900000000, -0.0003814000000000 ] - [ 0.0001815200000000, 0.0001254300000000, -0.0000763200000000 ] - [ 0.0000333400000000, -0.0001394700000000, -0.0003901100000000 ] - [ 0.0003770000000000, 0.0003101400000000, -0.0003466200000000 ] - [ 0.0008252300000000, 0.0010411400000000, 0.0006825200000000 ]- atom: 59 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0001424800000000, 0.0001035000000000, -0.0003549400000000 ] - [ -0.0009945800000000, -0.0001861200000000, -0.0001802100000000 ] - [ 0.0010638500000000, 0.0000215200000000, -0.0000125000000000 ] - [ -0.0017175500000000, 0.0002755000000000, 0.0011112800000000 ] - [ 0.0004265200000000, 0.0001082100000000, -0.0002889700000000 ] - [ 0.0000290200000000, -0.0002319400000000, 0.0002329600000000 ] - [ 0.0004917600000000, -0.0001163500000000, -0.0002872100000000 ] - [ 0.0000389100000000, 0.0002318300000000, 0.0002254800000000 ] - [ 0.0018096500000000, 0.0002440000000000, 0.0001367300000000 ] - [ 0.0014646900000000, -0.0002330000000000, -0.0007154100000000 ] - [ -0.0066129500000000, -0.0007520600000000, 0.0022715000000000 ] - [ -0.0131394700000000, 0.0090236800000000, 0.0065492200000000 ] - [ 0.0016381800000000, 0.0002220100000000, -0.0005241000000000 ] - [ 0.0016184000000000, -0.0002956700000000, -0.0001231400000000 ] - [ 0.0015004200000000, 0.0001735800000000, 0.0001095800000000 ] - [ 0.0014993000000000, -0.0001709800000000, 0.0001118000000000 ] - [ -0.0027297900000000, 0.0069754300000000, -0.0093590400000000 ] - [ -0.0031047700000000, -0.0002267100000000, 0.0006557200000000 ] - [ -0.1227068600000000, -0.0836172900000000, -0.0593142300000000 ] - [ 0.0009964800000000, 0.0008859600000000, 0.0008785600000000 ] - [ 0.0001285600000000, -0.0002817300000000, -0.0039800900000000 ] - [ 0.0012496100000000, -0.0000390300000000, -0.0003172300000000 ] - [ 0.0011674000000000, 0.0002053900000000, 0.0001970800000000 ] - [ 0.0010120700000000, -0.0008941300000000, 0.0008543400000000 ] - [ 0.0017429700000000, 0.0001131000000000, 0.0023159700000000 ] - [ 0.0016760800000000, -0.0001940800000000, -0.0000846500000000 ] - [ 0.0013165900000000, 0.0003108600000000, -0.0002868400000000 ] - [ 0.0013586700000000, -0.0003036300000000, -0.0002854200000000 ] - [ 0.0017310000000000, -0.0001878000000000, -0.0001217400000000 ] - [ 0.0016295600000000, 0.0001782900000000, 0.0000308600000000 ] - [ -0.0026919000000000, -0.0007968600000000, 0.0018817700000000 ] - [ 0.0014125500000000, 0.0001328600000000, -0.0001232500000000 ] - [ 0.0011465800000000, 0.0000248100000000, 0.0000323300000000 ] - [ 0.0017582600000000, -0.0009034000000000, 0.0005589500000000 ] - [ 0.0017699400000000, 0.0009030500000000, 0.0005579200000000 ] - [ -0.0017712700000000, -0.0001146900000000, -0.0020534600000000 ] - [ 0.0023515800000000, 0.0002292700000000, -0.0002043500000000 ] - [ 0.0007312900000000, 0.0001530900000000, 0.0001911500000000 ] - [ 0.0012317800000000, 0.0002515300000000, -0.0000660900000000 ] - [ -0.0035372300000000, 0.0005357800000000, 0.0085322600000000 ] - [ 0.0023119700000000, -0.0002154500000000, -0.0002948200000000 ] - [ 0.0021657200000000, -0.0001176300000000, 0.0011799300000000 ] - [ -0.0005259800000000, 0.0004614000000000, 0.0011338200000000 ] - [ 0.0032427800000000, 0.0000028700000000, -0.0011720300000000 ] - [ 0.0016037600000000, -0.0002915400000000, 0.0003146900000000 ] - [ 0.0009241900000000, 0.0001429900000000, -0.0006137800000000 ] - [ 0.0011260300000000, -0.0000241900000000, 0.0000295700000000 ] - [ 0.0021209900000000, 0.0004869800000000, -0.0006321400000000 ] - [ -0.0005042100000000, -0.0002722300000000, -0.0012535300000000 ] - [ -0.0010253700000000, -0.0004623400000000, -0.0005994600000000 ] - [ -0.0007089600000000, -0.0001379900000000, 0.0001344300000000 ] - [ -0.0006180900000000, 0.0000196500000000, 0.0006008400000000 ] - [ -0.0006509300000000, 0.0006619700000000, 0.0004702800000000 ] - [ 0.0015362700000000, 0.0030834900000000, 0.0035824700000000 ] - [ -0.0007865500000000, 0.0001878100000000, 0.0001926600000000 ] - [ -0.0004517500000000, 0.0001733800000000, -0.0000737300000000 ] - [ 0.0132013600000000, 0.0035520200000000, 0.0009827400000000 ] - [ -0.0013973700000000, 0.0004161900000000, 0.0001227400000000 ] - [ 0.1317088300000000, 0.0791544800000000, 0.0545663400000000 ] - [ -0.0013792500000000, -0.0004086500000000, 0.0001310700000000 ] - [ 0.0019703900000000, -0.0003652700000000, -0.0001684200000000 ] - [ 0.0127353200000000, -0.0008736800000000, 0.0048014400000000 ] - [ -0.0006281400000000, 0.0000177100000000, -0.0001681200000000 ] - [ 0.0019510200000000, -0.0006159700000000, -0.0004720200000000 ] - [ -0.0003145700000000, -0.0003965000000000, 0.0000299100000000 ] - [ -0.0006290400000000, -0.0006431700000000, 0.0004382000000000 ] - [ -0.0003234900000000, 0.0005169700000000, 0.0000239300000000 ] - [ 0.0027188900000000, 0.0003372700000000, 0.0006826700000000 ] - [ -0.0048159100000000, -0.0044027700000000, 0.0058202000000000 ] - [ -0.0005464900000000, 0.0000484900000000, -0.0007632600000000 ] - [ -0.0012111900000000, -0.0003644900000000, -0.0011790000000000 ] - [ -0.0006262100000000, 0.0000825300000000, -0.0004908400000000 ] - [ -0.0004259900000000, 0.0004634600000000, -0.0000262300000000 ] - [ -0.0002243000000000, -0.0000553500000000, -0.0001562300000000 ] - [ 0.0015666300000000, 0.0002259100000000, -0.0001636100000000 ] - [ -0.0005004700000000, -0.0007363000000000, 0.0004416900000000 ] - [ -0.0002623700000000, 0.0001085300000000, -0.0002310800000000 ] - [ -0.0006122100000000, 0.0000491600000000, -0.0002811900000000 ] - [ -0.0008290200000000, -0.0002221200000000, 0.0001827900000000 ] - [ -0.0004920500000000, 0.0006379600000000, 0.0004354500000000 ] - [ -0.0004644300000000, -0.0001699400000000, -0.0003271400000000 ] - [ -0.0009098900000000, 0.0000356900000000, 0.0006467000000000 ] - [ -0.0007136100000000, -0.0005948200000000, 0.0003722000000000 ] - [ 0.0001670100000000, 0.0005095800000000, -0.0064146000000000 ] - [ -0.0025300600000000, -0.0030660000000000, 0.0017666500000000 ] - [ -0.0003276100000000, -0.0005205500000000, 0.0000300600000000 ] - [ -0.0009165600000000, -0.0000326900000000, 0.0006500500000000 ] - [ -0.0007004800000000, 0.0005765700000000, 0.0001789600000000 ] - [ 0.0005042800000000, -0.0012153400000000, -0.0024268700000000 ] - [ 0.0005880600000000, 0.0002686800000000, -0.0007581500000000 ] - [ -0.0006280100000000, -0.0000838600000000, -0.0005953800000000 ] - [ -0.0004932100000000, 0.0007356400000000, 0.0004304400000000 ] - [ -0.0004467700000000, 0.0001486400000000, -0.0001720500000000 ] - [ -0.0004216000000000, -0.0001804300000000, -0.0001157200000000 ] - [ -0.0006913500000000, -0.0001865800000000, 0.0003831200000000 ] - [ -0.0006309100000000, -0.0000235600000000, 0.0006051000000000 ] - [ -0.0009893200000000, 0.0000455600000000, -0.0003252600000000 ] - [ -0.0009893900000000, -0.0008489600000000, 0.0000160300000000 ] - [ -0.0005700700000000, -0.0001429400000000, -0.0001245600000000 ] - [ 0.0000478400000000, -0.0000999200000000, 0.0003292900000000 ] - [ -0.0004589700000000, 0.0005068400000000, -0.0001722700000000 ] - [ -0.0009348900000000, -0.0000434600000000, -0.0006768300000000 ] - [ -0.0000747000000000, -0.0004288200000000, -0.0006963100000000 ] - [ -0.0007920800000000, 0.0005484100000000, -0.0005642400000000 ] - [ -0.0001918200000000, 0.0001246300000000, 0.0002508800000000 ] - [ -0.0091905600000000, 0.0032735000000000, 0.0024177100000000 ] - [ -0.0006195200000000, -0.0001198400000000, -0.0005096500000000 ] - [ 0.0005582900000000, -0.0005763400000000, -0.0005940900000000 ] - [ -0.0001021600000000, -0.0007746000000000, 0.0003910900000000 ] - [ -0.0001035200000000, 0.0007730600000000, 0.0003932000000000 ] - [ -0.0004053600000000, 0.0000322600000000, -0.0001500300000000 ] - [ -0.0006134300000000, 0.0001188900000000, -0.0005131300000000 ] - [ -0.0001900300000000, -0.0004087400000000, -0.0001215800000000 ] - [ 0.0000806800000000, -0.0000242200000000, 0.0008282100000000 ] - [ 0.0008262400000000, -0.0001067900000000, 0.0015044600000000 ] - [ -0.0009845200000000, -0.0000351200000000, -0.0003843700000000 ] - [ -0.0010058600000000, -0.0000432000000000, -0.0003271400000000 ] - [ -0.0006696500000000, 0.0001095400000000, -0.0005691800000000 ] - [ -0.0010842300000000, 0.0002949600000000, -0.0001498800000000 ] - [ -0.0008612000000000, -0.0001056700000000, -0.0008563500000000 ] - [ -0.0005403500000000, 0.0004436200000000, -0.0000050500000000 ] - [ -0.0003367900000000, -0.0000322900000000, -0.0001569900000000 ] - [ -0.0001859800000000, -0.0001229700000000, 0.0002477800000000 ] - [ -0.0047318400000000, -0.0104984200000000, -0.0090456100000000 ] - [ -0.0001806900000000, 0.0000631500000000, -0.0003359500000000 ] - [ -0.0008185600000000, -0.0000811700000000, -0.0006764000000000 ] - [ -0.0023105900000000, -0.0011964200000000, 0.0011186900000000 ] - [ -0.0009707000000000, 0.0008437000000000, -0.0000208000000000 ] - [ -0.0005838800000000, -0.0002284300000000, -0.0001961000000000 ] - [ 0.0021226400000000, 0.0014439200000000, 0.0015231800000000 ] - [ -0.0005654900000000, -0.0005097000000000, 0.0000856700000000 ] - [ -0.0009326600000000, 0.0000402300000000, -0.0006671100000000 ] - [ -0.0003564900000000, -0.0002749800000000, -0.0001357000000000 ] - [ 0.0023388200000000, 0.0013981100000000, -0.0017064600000000 ] - [ 0.0027593100000000, -0.0010154300000000, -0.0012359000000000 ] - [ -0.0008919000000000, 0.0006675000000000, 0.0004815700000000 ] - [ -0.0009804800000000, 0.0000321700000000, -0.0003647500000000 ] - [ -0.0003445600000000, 0.0002744500000000, -0.0001314000000000 ] - [ -0.0002513400000000, -0.0003032200000000, -0.0002103600000000 ] - [ 0.0011951400000000, -0.0002687000000000, 0.0010973100000000 ] - [ -0.0005117500000000, 0.0001107900000000, 0.0000344000000000 ] - [ -0.0001619500000000, 0.0000189800000000, 0.0000762700000000 ] - [ -0.0010517800000000, -0.0002786600000000, -0.0002036400000000 ] - [ -0.0012967600000000, -0.0007795900000000, 0.0004670400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001127200000000, 0.0001254600000000, -0.0003785800000000 ] - [ -0.0001438100000000, -0.0003286400000000, 0.0000204500000000 ] - [ -0.0002976400000000, -0.0000952400000000, -0.0003197800000000 ] - [ -0.0010046700000000, 0.0028150300000000, 0.0005459600000000 ] - [ -0.0001593700000000, 0.0001194300000000, -0.0003114600000000 ] - [ -0.0004617200000000, -0.0002680500000000, 0.0001422500000000 ] - [ -0.0001648600000000, -0.0001224300000000, -0.0002901000000000 ] - [ -0.0004605600000000, 0.0002673200000000, 0.0001506800000000 ] - [ -0.0005315600000000, 0.0001058700000000, -0.0004115600000000 ] - [ -0.0001741000000000, -0.0001269900000000, -0.0003023500000000 ] - [ 0.0022722600000000, 0.0031258000000000, -0.0061869000000000 ] - [ -0.0027766500000000, 0.0037164700000000, 0.0103944200000000 ] - [ -0.0002924100000000, 0.0001402500000000, -0.0003041600000000 ] - [ -0.0004526800000000, -0.0000831900000000, -0.0004370800000000 ] - [ -0.0005990600000000, 0.0002809600000000, 0.0000956500000000 ] - [ -0.0005898300000000, -0.0002805600000000, 0.0000985900000000 ] - [ -0.0007555200000000, -0.0018239400000000, 0.0050640100000000 ] - [ 0.0030433700000000, -0.0006100600000000, -0.0028585100000000 ] - [ 0.0736362800000000, 0.0921905200000000, 0.0537463100000000 ] - [ -0.0006932300000000, 0.0004745500000000, 0.0008189000000000 ] - [ 0.0015362100000000, 0.0000903100000000, 0.0012045800000000 ] - [ -0.0002952100000000, 0.0001200300000000, -0.0002583000000000 ] - [ -0.0002031600000000, -0.0002141400000000, -0.0002979200000000 ] - [ -0.0006894100000000, -0.0004765400000000, 0.0008262700000000 ] - [ -0.0018021100000000, 0.0007014300000000, -0.0013132800000000 ] - [ -0.0000480200000000, -0.0002253300000000, 0.0002833400000000 ] - [ -0.0003691900000000, 0.0003559600000000, 0.0000502200000000 ] - [ -0.0003821100000000, -0.0003611100000000, 0.0000714700000000 ] - [ -0.0002018700000000, 0.0000758400000000, -0.0000148600000000 ] - [ -0.0000784400000000, 0.0002358000000000, 0.0002296500000000 ] - [ 0.0006064300000000, -0.0000283400000000, -0.0010824100000000 ] - [ -0.0003948800000000, -0.0001514200000000, -0.0002172200000000 ] - [ -0.0003783300000000, -0.0000748800000000, -0.0000683900000000 ] - [ 0.0002743700000000, -0.0007779100000000, 0.0003639900000000 ] - [ 0.0002717500000000, 0.0007788600000000, 0.0003718500000000 ] - [ 0.0010220900000000, 0.0025406600000000, 0.0013432300000000 ] - [ -0.0002150300000000, -0.0001075200000000, -0.0001436100000000 ] - [ -0.0003353600000000, 0.0000917600000000, -0.0005895000000000 ] - [ -0.0001243100000000, -0.0001996600000000, -0.0002250900000000 ] - [ 0.0000192200000000, -0.0027509400000000, -0.0036239600000000 ] - [ -0.0001639300000000, 0.0000976600000000, -0.0001353200000000 ] - [ -0.0009266800000000, -0.0000612700000000, 0.0004141000000000 ] - [ -0.0001409000000000, 0.0002236000000000, -0.0014513500000000 ] - [ 0.0006744400000000, -0.0020647500000000, 0.0048669700000000 ] - [ -0.0002536600000000, 0.0001649300000000, -0.0001113600000000 ] - [ 0.0004156300000000, 0.0002430800000000, -0.0000085000000000 ] - [ -0.0003688600000000, 0.0000728200000000, -0.0000781300000000 ] - [ -0.0002157700000000, 0.0000108400000000, 0.0002081300000000 ] - [ -0.0004070000000000, 0.0003613500000000, -0.0000083900000000 ] - [ 0.0003561700000000, -0.0001344000000000, -0.0002194400000000 ] - [ 0.0000115000000000, -0.0001160100000000, -0.0000934200000000 ] - [ -0.0001153700000000, -0.0001887300000000, 0.0005702600000000 ] - [ 0.0003791900000000, 0.0000853500000000, 0.0001277800000000 ] - [ -0.0012600200000000, -0.0024958200000000, -0.0028848000000000 ] - [ 0.0001915300000000, -0.0003488900000000, -0.0001378300000000 ] - [ 0.0000542300000000, 0.0000283400000000, -0.0001944800000000 ] - [ -0.0015557000000000, 0.0033181400000000, 0.0120553300000000 ] - [ -0.0002558700000000, 0.0001170100000000, 0.0004223600000000 ] - [ -0.0753836300000000, -0.1435024600000000, -0.0780980300000000 ] - [ -0.0002596200000000, -0.0001175600000000, 0.0004241200000000 ] - [ -0.0002149100000000, 0.0003257500000000, 0.0022212500000000 ] - [ 0.0051339400000000, 0.0347299400000000, -0.0048064800000000 ] - [ 0.0002277100000000, 0.0000631700000000, -0.0003067700000000 ] - [ -0.0006094600000000, -0.0008923000000000, 0.0009018600000000 ] - [ 0.0003357800000000, -0.0000835100000000, 0.0000372000000000 ] - [ 0.0003895000000000, -0.0000833700000000, 0.0001312300000000 ] - [ 0.0002749300000000, 0.0003644800000000, -0.0000820600000000 ] - [ -0.0016257800000000, -0.0004393900000000, 0.0000240500000000 ] - [ -0.0006005200000000, -0.0004347700000000, -0.0020334500000000 ] - [ 0.0004987400000000, 0.0001861300000000, -0.0001804900000000 ] - [ 0.0000417800000000, -0.0002434600000000, -0.0003358600000000 ] - [ 0.0003834500000000, 0.0004078400000000, -0.0002368500000000 ] - [ 0.0003376400000000, 0.0001168300000000, -0.0000206800000000 ] - [ 0.0001126900000000, -0.0000445300000000, -0.0001395600000000 ] - [ -0.0005376400000000, 0.0006645900000000, 0.0066317800000000 ] - [ 0.0001992300000000, -0.0004366100000000, 0.0003346500000000 ] - [ 0.0004760100000000, -0.0001442200000000, -0.0001799000000000 ] - [ 0.0002206400000000, -0.0001878500000000, -0.0004221600000000 ] - [ 0.0002111900000000, 0.0003631500000000, -0.0001451100000000 ] - [ -0.0003983000000000, 0.0005424400000000, -0.0003099700000000 ] - [ 0.0005653000000000, 0.0001759500000000, -0.0002112600000000 ] - [ 0.0000461500000000, 0.0004484400000000, 0.0007984900000000 ] - [ -0.0000665700000000, -0.0004344900000000, 0.0000875900000000 ] - [ -0.0002498000000000, -0.0018887600000000, 0.0006292100000000 ] - [ 0.0031011200000000, 0.0026521200000000, -0.0012673200000000 ] - [ 0.0002747400000000, -0.0003631500000000, -0.0000824400000000 ] - [ 0.0000471700000000, -0.0004487400000000, 0.0007964500000000 ] - [ -0.0000110700000000, 0.0004021200000000, 0.0001015600000000 ] - [ 0.0031890400000000, 0.0027725100000000, 0.0015981700000000 ] - [ 0.0003164200000000, -0.0001088600000000, 0.0000921700000000 ] - [ 0.0004477000000000, -0.0004131100000000, -0.0002013700000000 ] - [ 0.0001988400000000, 0.0004361500000000, 0.0003410700000000 ] - [ -0.0000336600000000, 0.0000912500000000, 0.0000419100000000 ] - [ 0.0000496000000000, -0.0000209500000000, -0.0001603300000000 ] - [ -0.0003320700000000, 0.0000181700000000, -0.0004616600000000 ] - [ -0.0001151600000000, 0.0001838800000000, 0.0005588100000000 ] - [ -0.0003738800000000, 0.0001633000000000, -0.0003499200000000 ] - [ -0.0000737700000000, -0.0003528800000000, -0.0002140000000000 ] - [ -0.0000338700000000, -0.0001212600000000, -0.0000191200000000 ] - [ -0.0004196200000000, -0.0002668200000000, 0.0011940100000000 ] - [ 0.0010023600000000, -0.0002885200000000, 0.0002744800000000 ] - [ -0.0002578300000000, 0.0000480400000000, -0.0004292000000000 ] - [ 0.0001464400000000, -0.0001112400000000, 0.0003476300000000 ] - [ 0.0002320300000000, 0.0001243900000000, -0.0004880500000000 ] - [ 0.0003757500000000, -0.0000071000000000, 0.0001410000000000 ] - [ -0.0070243800000000, 0.0010880400000000, -0.0006635100000000 ] - [ 0.0001322700000000, 0.0001143000000000, -0.0004806800000000 ] - [ -0.0004824500000000, 0.0000845500000000, 0.0013497900000000 ] - [ 0.0004702600000000, -0.0006120400000000, 0.0004134400000000 ] - [ 0.0004691000000000, 0.0006149500000000, 0.0004077800000000 ] - [ 0.0001770100000000, 0.0000354200000000, -0.0002791400000000 ] - [ 0.0001314800000000, -0.0001150800000000, -0.0004753200000000 ] - [ 0.0003041600000000, -0.0000831900000000, 0.0001913500000000 ] - [ -0.0000991100000000, -0.0004389800000000, 0.0001096800000000 ] - [ -0.0002416500000000, 0.0015156100000000, -0.0015945900000000 ] - [ 0.0004584100000000, -0.0000190500000000, 0.0000447200000000 ] - [ -0.0003698500000000, -0.0001635100000000, -0.0003574700000000 ] - [ 0.0003934600000000, 0.0001645600000000, -0.0002629700000000 ] - [ -0.0001171500000000, -0.0001070300000000, -0.0003083700000000 ] - [ 0.0006680900000000, 0.0005120700000000, -0.0001264900000000 ] - [ 0.0003693100000000, 0.0001082200000000, -0.0002341800000000 ] - [ 0.0001444500000000, -0.0000542900000000, -0.0001940700000000 ] - [ 0.0003720500000000, 0.0000066600000000, 0.0001458800000000 ] - [ 0.0047804900000000, 0.0066638700000000, 0.0058512300000000 ] - [ 0.0005204800000000, -0.0001497100000000, -0.0001382700000000 ] - [ 0.0004536900000000, -0.0001445200000000, -0.0002754100000000 ] - [ -0.0006017600000000, 0.0004129700000000, -0.0005194900000000 ] - [ -0.0000572900000000, 0.0003442100000000, -0.0002066200000000 ] - [ 0.0004832200000000, 0.0001604600000000, -0.0002725000000000 ] - [ -0.0020754200000000, -0.0012489500000000, 0.0014343800000000 ] - [ -0.0000481100000000, -0.0004607300000000, 0.0001752900000000 ] - [ -0.0002630300000000, -0.0000486100000000, -0.0004287100000000 ] - [ 0.0003682700000000, 0.0000315500000000, -0.0003057700000000 ] - [ 0.0001413500000000, -0.0006934000000000, 0.0014919600000000 ] - [ -0.0017321000000000, -0.0006968300000000, 0.0007661400000000 ] - [ -0.0000702000000000, 0.0003492300000000, 0.0000327600000000 ] - [ 0.0004390000000000, 0.0000209100000000, 0.0000312900000000 ] - [ 0.0003599100000000, -0.0000267000000000, -0.0002992200000000 ] - [ 0.0002367600000000, -0.0003341900000000, -0.0002828400000000 ] - [ -0.0004276400000000, 0.0004404000000000, 0.0004573300000000 ] - [ -0.0000587500000000, 0.0001102700000000, -0.0000081700000000 ] - [ -0.0000436300000000, 0.0000082200000000, -0.0000167400000000 ] - [ -0.0000998700000000, 0.0001145100000000, -0.0003003400000000 ] - [ 0.0007873700000000, 0.0000924300000000, -0.0009275500000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000821200000000, 0.0001113800000000, -0.0002186900000000 ] - [ -0.0005413700000000, -0.0001900700000000, 0.0003129600000000 ] - [ 0.0002665400000000, -0.0001400200000000, -0.0002773700000000 ] - [ 0.0003948800000000, -0.0023039200000000, -0.0001950300000000 ] - [ 0.0001281900000000, 0.0001175500000000, -0.0002859400000000 ] - [ -0.0002252100000000, -0.0002504400000000, 0.0001898200000000 ] - [ 0.0001333400000000, -0.0001146000000000, -0.0003073000000000 ] - [ -0.0002265000000000, 0.0002512100000000, 0.0001814200000000 ] - [ 0.0007455300000000, 0.0001967300000000, -0.0002884300000000 ] - [ 0.0003886300000000, -0.0001758000000000, -0.0003972300000000 ] - [ -0.0024171200000000, -0.0026131900000000, 0.0063605700000000 ] - [ 0.0024653000000000, -0.0038634400000000, -0.0096862000000000 ] - [ 0.0005068000000000, 0.0001636300000000, -0.0003940900000000 ] - [ 0.0006664000000000, -0.0002192900000000, -0.0002641500000000 ] - [ 0.0004071400000000, 0.0002289200000000, 0.0001039200000000 ] - [ 0.0003981000000000, -0.0002290900000000, 0.0001009900000000 ] - [ 0.0006797600000000, 0.0018106600000000, -0.0051535800000000 ] - [ -0.0017502400000000, -0.0010024500000000, 0.0036550900000000 ] - [ -0.0760263300000000, -0.0935640300000000, -0.0557772400000000 ] - [ 0.0001166700000000, 0.0006750200000000, 0.0008463300000000 ] - [ -0.0007132600000000, -0.0001426100000000, -0.0015269400000000 ] - [ 0.0004000200000000, 0.0000501600000000, -0.0002084600000000 ] - [ 0.0005987100000000, 0.0000526400000000, 0.0000952900000000 ] - [ 0.0001125800000000, -0.0006725100000000, 0.0008386900000000 ] - [ 0.0026040600000000, -0.0006364300000000, 0.0009714600000000 ] - [ 0.0007377400000000, -0.0002109200000000, 0.0000957500000000 ] - [ 0.0004327400000000, 0.0003347700000000, -0.0000929600000000 ] - [ 0.0004455300000000, -0.0003288500000000, -0.0001138300000000 ] - [ 0.0005968000000000, 0.0000851400000000, -0.0001867800000000 ] - [ 0.0007681200000000, 0.0002007400000000, 0.0001486800000000 ] - [ -0.0006276100000000, 0.0001210400000000, 0.0009864500000000 ] - [ 0.0004993000000000, -0.0000181900000000, -0.0002492800000000 ] - [ 0.0003498800000000, -0.0000257800000000, -0.0000274700000000 ] - [ 0.0009805700000000, -0.0008380500000000, 0.0004634300000000 ] - [ 0.0009829200000000, 0.0008373900000000, 0.0004554200000000 ] - [ -0.0015824600000000, -0.0013775500000000, 0.0003450800000000 ] - [ 0.0010357000000000, 0.0000565600000000, -0.0001864800000000 ] - [ 0.0004434400000000, 0.0000768800000000, 0.0001188100000000 ] - [ 0.0005210400000000, 0.0000382200000000, 0.0000235700000000 ] - [ -0.0005731600000000, 0.0015876000000000, 0.0052235000000000 ] - [ 0.0009853100000000, -0.0000461100000000, -0.0001942900000000 ] - [ 0.0016106600000000, -0.0003750700000000, -0.0000420200000000 ] - [ 0.0002158000000000, 0.0004647900000000, 0.0013923900000000 ] - [ -0.0006114700000000, 0.0013641700000000, -0.0048895700000000 ] - [ 0.0006478200000000, -0.0000030600000000, -0.0000915800000000 ] - [ 0.0002805000000000, 0.0001940200000000, 0.0003895200000000 ] - [ 0.0003403500000000, 0.0000284400000000, -0.0000179700000000 ] - [ 0.0003167500000000, -0.0001825000000000, -0.0006699800000000 ] - [ -0.0006385900000000, -0.0000908100000000, -0.0006881200000000 ] - [ -0.0009164300000000, -0.0007976100000000, -0.0001029100000000 ] - [ -0.0003395500000000, -0.0001191700000000, 0.0000511600000000 ] - [ -0.0003580800000000, -0.0000835000000000, 0.0005748400000000 ] - [ -0.0000968300000000, 0.0003529200000000, 0.0002840300000000 ] - [ 0.0004192600000000, 0.0025103300000000, 0.0018648700000000 ] - [ -0.0002700600000000, -0.0000953800000000, 0.0000126900000000 ] - [ -0.0001829400000000, 0.0000926500000000, -0.0001195700000000 ] - [ 0.0020038400000000, -0.0032598500000000, -0.0118138900000000 ] - [ -0.0007974600000000, 0.0002567100000000, 0.0002834100000000 ] - [ 0.0792290100000000, 0.1465654200000000, 0.0795842100000000 ] - [ -0.0007940100000000, -0.0002553100000000, 0.0002818300000000 ] - [ 0.0008736600000000, -0.0016186400000000, -0.0013926900000000 ] - [ -0.0047297500000000, -0.0338842300000000, 0.0055281100000000 ] - [ -0.0001611800000000, 0.0000238300000000, -0.0001249100000000 ] - [ 0.0005094400000000, 0.0007714700000000, -0.0018686900000000 ] - [ 0.0000007900000000, -0.0002745000000000, -0.0000273100000000 ] - [ -0.0001068500000000, -0.0003541600000000, 0.0002804600000000 ] - [ -0.0000118700000000, 0.0004373500000000, -0.0000322300000000 ] - [ 0.0018331700000000, 0.0003886600000000, -0.0001502300000000 ] - [ -0.0004633800000000, 0.0001290600000000, 0.0013536400000000 ] - [ -0.0002139500000000, 0.0000993500000000, -0.0005248600000000 ] - [ -0.0007146600000000, 0.0002076300000000, -0.0002175400000000 ] - [ -0.0000502300000000, 0.0002567500000000, -0.0003556200000000 ] - [ -0.0000010700000000, 0.0002422600000000, 0.0000306100000000 ] - [ -0.0000468500000000, -0.0000414400000000, -0.0002919500000000 ] - [ 0.0010149100000000, -0.0006903900000000, -0.0062095100000000 ] - [ -0.0001323900000000, -0.0005774100000000, 0.0003893500000000 ] - [ 0.0001495900000000, -0.0000338600000000, -0.0002515100000000 ] - [ 0.0000614700000000, -0.0000967600000000, -0.0002841700000000 ] - [ -0.0002897900000000, 0.0000813200000000, 0.0000198900000000 ] - [ -0.0001688500000000, 0.0003939900000000, -0.0000133700000000 ] - [ 0.0000606300000000, 0.0000029400000000, -0.0002202800000000 ] - [ -0.0004096900000000, 0.0002516800000000, 0.0007279000000000 ] - [ -0.0003286700000000, -0.0004833000000000, 0.0001898200000000 ] - [ -0.0006018700000000, 0.0018181300000000, -0.0016281700000000 ] - [ -0.0026593600000000, -0.0027103200000000, 0.0007464800000000 ] - [ -0.0000115400000000, -0.0004379800000000, -0.0000318200000000 ] - [ -0.0004105200000000, -0.0002511300000000, 0.0007296500000000 ] - [ -0.0003842100000000, 0.0005161100000000, 0.0001757600000000 ] - [ -0.0029215100000000, -0.0026857400000000, -0.0016929500000000 ] - [ 0.0000699200000000, 0.0001981100000000, -0.0006141300000000 ] - [ -0.0001141800000000, -0.0002512200000000, -0.0003905900000000 ] - [ -0.0001320200000000, 0.0005787100000000, 0.0003824600000000 ] - [ -0.0002959700000000, 0.0001445400000000, -0.0000838000000000 ] - [ -0.0001783600000000, -0.0000993200000000, -0.0001533300000000 ] - [ -0.0003407500000000, 0.0000145000000000, -0.0000905200000000 ] - [ -0.0003581100000000, 0.0000886000000000, 0.0005862400000000 ] - [ -0.0006677000000000, 0.0001079900000000, -0.0003434800000000 ] - [ -0.0004924900000000, -0.0005822300000000, -0.0001084200000000 ] - [ -0.0002946200000000, -0.0001135700000000, -0.0000223000000000 ] - [ -0.0000590100000000, -0.0000047200000000, -0.0000430300000000 ] - [ -0.0007188700000000, 0.0007256900000000, 0.0001402100000000 ] - [ -0.0005824900000000, 0.0000068400000000, -0.0005451700000000 ] - [ -0.0002298700000000, -0.0003278600000000, -0.0004647000000000 ] - [ -0.0003580500000000, -0.0000059600000000, 0.0001765200000000 ] - [ 0.0001050400000000, 0.0000548200000000, 0.0001971400000000 ] - [ 0.0059864800000000, -0.0007578400000000, 0.0013604200000000 ] - [ -0.0002240100000000, 0.0000034500000000, -0.0004928300000000 ] - [ -0.0005819400000000, -0.0004553200000000, -0.0006355800000000 ] - [ 0.0001969800000000, -0.0006907500000000, 0.0003982800000000 ] - [ 0.0001984300000000, 0.0006883800000000, 0.0004037000000000 ] - [ -0.0001104100000000, 0.0000513100000000, -0.0001529900000000 ] - [ -0.0002230000000000, -0.0000022000000000, -0.0004979100000000 ] - [ 0.0000313400000000, -0.0002750300000000, -0.0001801100000000 ] - [ 0.0003750400000000, -0.0000040200000000, 0.0002999100000000 ] - [ 0.0004922900000000, -0.0006898700000000, 0.0014594100000000 ] - [ -0.0002412200000000, -0.0000279600000000, -0.0001663400000000 ] - [ -0.0006716500000000, -0.0001071600000000, -0.0003364700000000 ] - [ -0.0001101100000000, 0.0001210300000000, -0.0004434400000000 ] - [ -0.0005564100000000, 0.0000754800000000, -0.0002420500000000 ] - [ -0.0003324200000000, 0.0001543200000000, -0.0004634200000000 ] - [ -0.0000314700000000, 0.0002508500000000, 0.0002426700000000 ] - [ -0.0000786500000000, -0.0000317200000000, -0.0002370200000000 ] - [ 0.0001088600000000, -0.0000536200000000, 0.0001923600000000 ] - [ -0.0047209300000000, -0.0076283700000000, -0.0050562000000000 ] - [ 0.0001040400000000, -0.0000277100000000, -0.0002922400000000 ] - [ -0.0001695200000000, -0.0001405900000000, -0.0004303300000000 ] - [ 0.0005257000000000, 0.0000376700000000, 0.0003858000000000 ] - [ -0.0005089600000000, 0.0005913500000000, -0.0001154900000000 ] - [ 0.0001433700000000, 0.0000186200000000, -0.0001597600000000 ] - [ 0.0016841200000000, 0.0019213900000000, 0.0000912300000000 ] - [ -0.0003479800000000, -0.0004577300000000, 0.0001035500000000 ] - [ -0.0005774800000000, -0.0000053800000000, -0.0005457500000000 ] - [ 0.0000203000000000, -0.0001175400000000, -0.0002186700000000 ] - [ 0.0001081100000000, -0.0001163300000000, -0.0015932100000000 ] - [ 0.0013541700000000, 0.0000036100000000, 0.0007699500000000 ] - [ -0.0003244100000000, 0.0005683300000000, 0.0002429300000000 ] - [ -0.0002212200000000, 0.0000272900000000, -0.0001536800000000 ] - [ 0.0000283800000000, 0.0001132400000000, -0.0002256600000000 ] - [ 0.0000934400000000, -0.0003285100000000, -0.0003113700000000 ] - [ 0.0004823600000000, 0.0005770100000000, 0.0002673900000000 ] - [ -0.0002709100000000, 0.0001258100000000, -0.0000344300000000 ] - [ -0.0000872100000000, -0.0001295500000000, -0.0002971900000000 ] - [ -0.0005738000000000, -0.0000825000000000, -0.0002497600000000 ] - [ -0.0012568200000000, 0.0001848400000000, 0.0020685100000000 ]- atom: 59 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0004597500000000, 0.0001621800000000, -0.0010563100000000 ] - [ -0.0003466400000000, -0.0003553800000000, -0.0014043800000000 ] - [ 0.0006315100000000, -0.0000967900000000, 0.0007894200000000 ] - [ -0.0010092600000000, 0.0007490700000000, 0.0034455400000000 ] - [ -0.0000278700000000, 0.0001161500000000, -0.0003173700000000 ] - [ -0.0003568100000000, -0.0002605800000000, 0.0001564000000000 ] - [ -0.0000304000000000, -0.0001216100000000, -0.0002794900000000 ] - [ -0.0003530500000000, 0.0002590900000000, 0.0001721000000000 ] - [ -0.0014741500000000, 0.0001423700000000, 0.0002222900000000 ] - [ 0.0013593500000000, -0.0001352000000000, -0.0010334800000000 ] - [ -0.0003982200000000, 0.0021519500000000, -0.0096063800000000 ] - [ -0.0040907600000000, 0.0035329000000000, 0.0125352600000000 ] - [ 0.0002054400000000, 0.0001940800000000, -0.0002587300000000 ] - [ -0.0000848300000000, -0.0000937700000000, -0.0004572600000000 ] - [ -0.0001480400000000, 0.0002587100000000, 0.0000877200000000 ] - [ -0.0001403000000000, -0.0002555800000000, 0.0001122800000000 ] - [ 0.0024081600000000, -0.0035793800000000, 0.0035778800000000 ] - [ 0.0023164500000000, -0.0005493300000000, -0.0057007800000000 ] - [ 0.0533101000000000, 0.0536051600000000, 0.0684603700000000 ] - [ -0.0003708300000000, 0.0005444200000000, 0.0008296900000000 ] - [ 0.0035348500000000, 0.0006650900000000, -0.0032605200000000 ] - [ 0.0002420100000000, 0.0000607300000000, -0.0006724200000000 ] - [ -0.0006683200000000, -0.0004580600000000, -0.0010537200000000 ] - [ -0.0002827100000000, -0.0005848400000000, 0.0008337600000000 ] - [ -0.0048343800000000, 0.0004184400000000, -0.0003841200000000 ] - [ 0.0005136100000000, -0.0001999000000000, 0.0002754100000000 ] - [ -0.0000029700000000, 0.0003357200000000, -0.0001035000000000 ] - [ -0.0000109100000000, -0.0003578600000000, 0.0000762700000000 ] - [ 0.0011248600000000, -0.0001914100000000, 0.0008279600000000 ] - [ 0.0001025600000000, 0.0002477800000000, 0.0001088000000000 ] - [ -0.0004633100000000, 0.0018527500000000, -0.0058679900000000 ] - [ -0.0002227800000000, -0.0001309000000000, 0.0002285200000000 ] - [ -0.0000532000000000, -0.0000535900000000, -0.0000415000000000 ] - [ 0.0005857000000000, -0.0008048100000000, 0.0003910900000000 ] - [ 0.0005997700000000, 0.0008046900000000, 0.0004274400000000 ] - [ 0.0044006500000000, 0.0020175000000000, -0.0013996400000000 ] - [ 0.0003119400000000, -0.0000408900000000, -0.0001659900000000 ] - [ -0.0000946400000000, 0.0000601700000000, -0.0008370100000000 ] - [ 0.0002444600000000, -0.0001193500000000, -0.0002272700000000 ] - [ -0.0033741500000000, -0.0000774200000000, -0.0023246600000000 ] - [ 0.0003930700000000, 0.0000255000000000, -0.0001587200000000 ] - [ -0.0010143800000000, 0.0000430700000000, 0.0009756800000000 ] - [ -0.0004742400000000, 0.0000205400000000, -0.0028687800000000 ] - [ 0.0009614600000000, -0.0014086400000000, 0.0057271700000000 ] - [ 0.0000711400000000, 0.0000531200000000, 0.0000139400000000 ] - [ 0.0011841700000000, 0.0003793500000000, -0.0005447200000000 ] - [ -0.0000455500000000, 0.0000511500000000, -0.0000604200000000 ] - [ 0.0002549700000000, 0.0000605100000000, 0.0004364000000000 ] - [ 0.0011816900000000, 0.0011801700000000, 0.0017953700000000 ] - [ 0.0012668300000000, 0.0002900700000000, -0.0008987700000000 ] - [ -0.0006797300000000, -0.0002885700000000, -0.0001599400000000 ] - [ -0.0002089100000000, -0.0001671700000000, 0.0006156600000000 ] - [ 0.0000904600000000, 0.0002406100000000, 0.0002240000000000 ] - [ -0.0011195600000000, 0.0013306000000000, 0.0012125600000000 ] - [ -0.0000513400000000, -0.0002134300000000, -0.0000245800000000 ] - [ -0.0000740700000000, 0.0000795300000000, -0.0002581600000000 ] - [ 0.0076809500000000, 0.0085782300000000, 0.0119179900000000 ] - [ -0.0005033900000000, 0.0001871100000000, 0.0003443700000000 ] - [ -0.0512167400000000, -0.0771356500000000, -0.0989412100000000 ] - [ -0.0004984500000000, -0.0001740600000000, 0.0003749600000000 ] - [ 0.0000784400000000, 0.0009169300000000, 0.0036214000000000 ] - [ -0.0051759300000000, 0.0070975300000000, -0.0134419800000000 ] - [ 0.0000524400000000, -0.0000174300000000, -0.0011680300000000 ] - [ -0.0000347300000000, -0.0014559400000000, 0.0025026100000000 ] - [ 0.0003266700000000, 0.0000641900000000, 0.0003632900000000 ] - [ 0.0002375300000000, -0.0001739300000000, 0.0001738100000000 ] - [ 0.0001550600000000, 0.0003961700000000, -0.0000651100000000 ] - [ -0.0007243000000000, 0.0001215500000000, 0.0014596100000000 ] - [ -0.0036520000000000, -0.0009000200000000, -0.0004934500000000 ] - [ 0.0012332300000000, 0.0002609600000000, 0.0001575100000000 ] - [ 0.0011100100000000, -0.0005719200000000, -0.0012601800000000 ] - [ -0.0000789300000000, 0.0003267400000000, -0.0002916600000000 ] - [ 0.0000283900000000, 0.0004205400000000, -0.0003640300000000 ] - [ -0.0000180300000000, -0.0000872300000000, 0.0006314100000000 ] - [ -0.0009642900000000, 0.0005601800000000, 0.0081560600000000 ] - [ 0.0000414100000000, -0.0005025900000000, 0.0003470700000000 ] - [ 0.0001831400000000, -0.0000368200000000, 0.0000394200000000 ] - [ -0.0008514000000000, 0.0000428700000000, -0.0006834100000000 ] - [ 0.0000193400000000, 0.0002578800000000, -0.0001179100000000 ] - [ -0.0010930100000000, 0.0009437000000000, 0.0006969100000000 ] - [ 0.0004996400000000, 0.0001650900000000, -0.0005033500000000 ] - [ -0.0001487100000000, 0.0003647300000000, 0.0007671200000000 ] - [ -0.0004414600000000, -0.0006202500000000, 0.0003372400000000 ] - [ 0.0044377600000000, -0.0019680900000000, 0.0109387600000000 ] - [ -0.0035232800000000, -0.0017865100000000, 0.0009894100000000 ] - [ 0.0001365100000000, -0.0003974500000000, -0.0000536700000000 ] - [ -0.0001710400000000, -0.0003540400000000, 0.0007639400000000 ] - [ 0.0000983700000000, 0.0002708500000000, -0.0000664600000000 ] - [ 0.0045871400000000, 0.0018796700000000, 0.0003092800000000 ] - [ 0.0014204500000000, -0.0012624000000000, 0.0003241800000000 ] - [ 0.0004740500000000, -0.0003521300000000, -0.0002708600000000 ] - [ 0.0000565800000000, 0.0004992500000000, 0.0003705000000000 ] - [ 0.0002292300000000, -0.0000122300000000, 0.0001991700000000 ] - [ -0.0000334900000000, -0.0000348900000000, -0.0000602400000000 ] - [ -0.0012631500000000, -0.0006421900000000, 0.0010419000000000 ] - [ -0.0002416200000000, 0.0001157500000000, 0.0005291200000000 ] - [ -0.0005079900000000, 0.0001385700000000, -0.0003406700000000 ] - [ -0.0002776000000000, -0.0004637600000000, -0.0001707900000000 ] - [ -0.0001357600000000, -0.0001329300000000, -0.0000376100000000 ] - [ -0.0006464600000000, -0.0003827100000000, 0.0021253700000000 ] - [ 0.0015380000000000, -0.0007854200000000, 0.0001365900000000 ] - [ -0.0004024900000000, 0.0000281800000000, -0.0004822700000000 ] - [ 0.0000523000000000, 0.0000166900000000, 0.0006235000000000 ] - [ 0.0001156600000000, 0.0003495500000000, -0.0008416500000000 ] - [ 0.0002542800000000, 0.0000213500000000, 0.0001605500000000 ] - [ -0.0077510900000000, 0.0016447500000000, -0.0034452000000000 ] - [ -0.0000305800000000, 0.0000618900000000, -0.0004930700000000 ] - [ 0.0004398600000000, 0.0002751400000000, 0.0022511000000000 ] - [ 0.0003488200000000, -0.0006431600000000, 0.0004161000000000 ] - [ 0.0003445300000000, 0.0006521600000000, 0.0003968200000000 ] - [ 0.0000697000000000, 0.0000258600000000, -0.0002921100000000 ] - [ -0.0000268900000000, -0.0000671200000000, -0.0004776400000000 ] - [ 0.0001497700000000, -0.0001390600000000, 0.0003481600000000 ] - [ -0.0009206100000000, -0.0009574000000000, 0.0003920800000000 ] - [ -0.0031976600000000, 0.0014819500000000, -0.0004438700000000 ] - [ 0.0001571700000000, -0.0000216500000000, -0.0000397700000000 ] - [ -0.0005042200000000, -0.0001382900000000, -0.0003541100000000 ] - [ 0.0001258500000000, 0.0001639400000000, -0.0003273100000000 ] - [ -0.0003317700000000, -0.0000179400000000, -0.0002826900000000 ] - [ 0.0006033500000000, 0.0004904100000000, -0.0001839700000000 ] - [ 0.0002218900000000, 0.0001959900000000, -0.0004072700000000 ] - [ 0.0000208000000000, -0.0000589200000000, -0.0001443300000000 ] - [ 0.0002515200000000, -0.0000204400000000, 0.0001713400000000 ] - [ 0.0038926700000000, 0.0045674000000000, 0.0035468800000000 ] - [ 0.0003655100000000, -0.0000880600000000, -0.0001116400000000 ] - [ 0.0002158400000000, -0.0001202700000000, -0.0003628600000000 ] - [ -0.0007101000000000, 0.0002024400000000, -0.0004779700000000 ] - [ -0.0002471700000000, 0.0004474500000000, -0.0001614500000000 ] - [ 0.0002732600000000, 0.0000976300000000, -0.0003251300000000 ] - [ -0.0031830500000000, -0.0010104500000000, 0.0029408100000000 ] - [ -0.0001793600000000, -0.0005250300000000, 0.0002529400000000 ] - [ -0.0004083600000000, -0.0000297800000000, -0.0004809700000000 ] - [ 0.0002162200000000, -0.0000318800000000, -0.0002720700000000 ] - [ 0.0007920900000000, -0.0005445600000000, 0.0019628100000000 ] - [ 0.0026253400000000, -0.0012650300000000, 0.0030012000000000 ] - [ -0.0002243600000000, 0.0003626400000000, 0.0000288000000000 ] - [ 0.0001237000000000, 0.0000246900000000, -0.0000628700000000 ] - [ 0.0002047400000000, 0.0000397000000000, -0.0002602300000000 ] - [ -0.0001727500000000, -0.0002252700000000, -0.0003797300000000 ] - [ -0.0005160900000000, -0.0000125000000000, 0.0019264500000000 ] - [ -0.0001711000000000, 0.0001042700000000, -0.0000020000000000 ] - [ -0.0001813600000000, 0.0000691100000000, 0.0002684700000000 ] - [ -0.0002986100000000, 0.0000332200000000, -0.0002735000000000 ] - [ 0.0008410600000000, -0.0001862800000000, -0.0017230500000000 ]- atom: 59 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0004264900000000, 0.0000748000000000, 0.0004556200000000 ] - [ -0.0003392200000000, -0.0001628100000000, 0.0017284700000000 ] - [ -0.0006592700000000, -0.0001397600000000, -0.0013830700000000 ] - [ 0.0003515600000000, -0.0002330200000000, -0.0030978300000000 ] - [ -0.0000026200000000, 0.0001206200000000, -0.0002800500000000 ] - [ -0.0003295800000000, -0.0002580000000000, 0.0001758900000000 ] - [ -0.0000004500000000, -0.0001155600000000, -0.0003178800000000 ] - [ -0.0003334100000000, 0.0002590900000000, 0.0001602500000000 ] - [ 0.0016856100000000, 0.0001607200000000, -0.0009191500000000 ] - [ -0.0011374500000000, -0.0001679800000000, 0.0003308900000000 ] - [ 0.0002257200000000, -0.0016553300000000, 0.0097816400000000 ] - [ 0.0036877600000000, -0.0033812600000000, -0.0116566400000000 ] - [ 0.0000121000000000, 0.0001099300000000, -0.0004388400000000 ] - [ 0.0003009600000000, -0.0002090100000000, -0.0002440600000000 ] - [ -0.0000411800000000, 0.0002505000000000, 0.0001121700000000 ] - [ -0.0000487300000000, -0.0002538500000000, 0.0000877200000000 ] - [ -0.0023382100000000, 0.0035881400000000, -0.0037791600000000 ] - [ -0.0010353900000000, -0.0010677000000000, 0.0064838400000000 ] - [ -0.0535989200000000, -0.0536552600000000, -0.0680929000000000 ] - [ -0.0002034700000000, 0.0006055800000000, 0.0008357800000000 ] - [ -0.0026958700000000, -0.0007199000000000, 0.0029221300000000 ] - [ -0.0001343800000000, 0.0001089000000000, 0.0002040600000000 ] - [ 0.0010626300000000, 0.0002963800000000, 0.0008491400000000 ] - [ -0.0002914400000000, -0.0005652100000000, 0.0008313100000000 ] - [ 0.0056249800000000, -0.0003597600000000, 0.0000562900000000 ] - [ 0.0001792700000000, -0.0002367200000000, 0.0001036900000000 ] - [ 0.0000688200000000, 0.0003550400000000, 0.0000599900000000 ] - [ 0.0000766200000000, -0.0003324700000000, -0.0001187600000000 ] - [ -0.0007231400000000, 0.0003510000000000, -0.0010264100000000 ] - [ 0.0005887600000000, 0.0001888500000000, 0.0002691700000000 ] - [ 0.0004423600000000, -0.0017512000000000, 0.0057699700000000 ] - [ 0.0003288800000000, -0.0000386200000000, -0.0006932000000000 ] - [ 0.0000269100000000, -0.0000471900000000, -0.0000543700000000 ] - [ 0.0006708100000000, -0.0008113700000000, 0.0004364600000000 ] - [ 0.0006565500000000, 0.0008113500000000, 0.0004002000000000 ] - [ -0.0049209500000000, -0.0008516600000000, 0.0030645100000000 ] - [ 0.0005119900000000, -0.0000098800000000, -0.0001643000000000 ] - [ 0.0002049300000000, 0.0001078700000000, 0.0003647100000000 ] - [ 0.0001549300000000, -0.0000417300000000, 0.0000262600000000 ] - [ 0.0028181600000000, -0.0010994700000000, 0.0038968600000000 ] - [ 0.0004317800000000, 0.0000254100000000, -0.0001708400000000 ] - [ 0.0016958100000000, -0.0004793600000000, -0.0006023200000000 ] - [ 0.0005493000000000, 0.0006662100000000, 0.0028010600000000 ] - [ -0.0009217400000000, 0.0007237100000000, -0.0057341300000000 ] - [ 0.0003249900000000, 0.0001078500000000, -0.0002161100000000 ] - [ -0.0004827200000000, 0.0000584200000000, 0.0009233900000000 ] - [ 0.0000192300000000, 0.0000497200000000, -0.0000357000000000 ] - [ -0.0001524600000000, -0.0002322600000000, -0.0008967500000000 ] - [ -0.0022101800000000, -0.0008992700000000, -0.0024695700000000 ] - [ -0.0018247300000000, -0.0012198900000000, 0.0005711100000000 ] - [ 0.0003482500000000, 0.0000525700000000, 0.0001181300000000 ] - [ -0.0002651300000000, -0.0001053100000000, 0.0005297700000000 ] - [ 0.0001896600000000, 0.0001987200000000, 0.0001886000000000 ] - [ 0.0002663400000000, -0.0012807900000000, -0.0021628600000000 ] - [ -0.0000285200000000, -0.0002304300000000, -0.0000999500000000 ] - [ -0.0000555900000000, 0.0000416500000000, -0.0000561800000000 ] - [ -0.0073342400000000, -0.0088197600000000, -0.0118489800000000 ] - [ -0.0005515400000000, 0.0001871600000000, 0.0003611700000000 ] - [ 0.0526927300000000, 0.0782341300000000, 0.0979032000000000 ] - [ -0.0005567500000000, -0.0001997200000000, 0.0003308600000000 ] - [ 0.0005823800000000, -0.0022089000000000, -0.0027888000000000 ] - [ 0.0059260000000000, -0.0056779100000000, 0.0142346200000000 ] - [ 0.0000121100000000, 0.0001036500000000, 0.0007332400000000 ] - [ -0.0000595300000000, 0.0013307300000000, -0.0034588000000000 ] - [ 0.0000095500000000, -0.0004218600000000, -0.0003521000000000 ] - [ 0.0000434300000000, -0.0002648000000000, 0.0002384400000000 ] - [ 0.0001075200000000, 0.0004054400000000, -0.0000487700000000 ] - [ 0.0009349200000000, -0.0001662000000000, -0.0015754100000000 ] - [ 0.0026081600000000, 0.0006232600000000, -0.0001841400000000 ] - [ -0.0009477400000000, 0.0000250300000000, -0.0008626300000000 ] - [ -0.0017799100000000, 0.0005345300000000, 0.0007006100000000 ] - [ 0.0004096500000000, 0.0003373900000000, -0.0003009600000000 ] - [ 0.0003065400000000, -0.0000604300000000, 0.0003726800000000 ] - [ 0.0000832300000000, 0.0000010000000000, -0.0010597900000000 ] - [ 0.0014386900000000, -0.0006005100000000, -0.0077447900000000 ] - [ 0.0000241000000000, -0.0005121700000000, 0.0003769200000000 ] - [ 0.0004405900000000, -0.0001409900000000, -0.0004697200000000 ] - [ 0.0011286200000000, -0.0003272300000000, -0.0000238700000000 ] - [ -0.0000991300000000, 0.0001858600000000, -0.0000070300000000 ] - [ 0.0005218400000000, -0.0000052700000000, -0.0010153400000000 ] - [ 0.0001248900000000, 0.0000132600000000, 0.0000708500000000 ] - [ -0.0002162200000000, 0.0003344700000000, 0.0007587900000000 ] - [ 0.0000440200000000, -0.0002985500000000, -0.0000587500000000 ] - [ -0.0051962500000000, 0.0019013400000000, -0.0117909100000000 ] - [ 0.0039189200000000, 0.0017141000000000, -0.0015169800000000 ] - [ 0.0001261000000000, -0.0004039300000000, -0.0000601300000000 ] - [ -0.0001938100000000, -0.0003452800000000, 0.0007616800000000 ] - [ -0.0004939700000000, 0.0006467600000000, 0.0003430700000000 ] - [ -0.0043203600000000, -0.0018028400000000, -0.0004297700000000 ] - [ -0.0010250700000000, 0.0013375600000000, -0.0008437500000000 ] - [ -0.0001411500000000, -0.0003122000000000, -0.0003213800000000 ] - [ 0.0000089900000000, 0.0005159200000000, 0.0003531000000000 ] - [ -0.0005579300000000, 0.0002473200000000, -0.0002397500000000 ] - [ -0.0000962500000000, -0.0000858400000000, -0.0002533000000000 ] - [ 0.0005845800000000, 0.0006730000000000, -0.0015882300000000 ] - [ -0.0002323900000000, 0.0001563800000000, 0.0006159800000000 ] - [ -0.0005346300000000, 0.0001321700000000, -0.0003523800000000 ] - [ -0.0002901500000000, -0.0004722400000000, -0.0001514600000000 ] - [ -0.0001937200000000, -0.0001022700000000, -0.0000031000000000 ] - [ 0.0001655700000000, 0.0001104000000000, -0.0009699300000000 ] - [ -0.0012525200000000, 0.0012218000000000, 0.0002798700000000 ] - [ -0.0004390000000000, 0.0000264200000000, -0.0004922100000000 ] - [ -0.0001364900000000, -0.0004548000000000, -0.0007383900000000 ] - [ -0.0002421700000000, -0.0002293200000000, 0.0005276000000000 ] - [ 0.0002253300000000, 0.0000263600000000, 0.0001778400000000 ] - [ 0.0067150500000000, -0.0012763900000000, 0.0040991400000000 ] - [ -0.0000623100000000, 0.0000550300000000, -0.0004803200000000 ] - [ -0.0015016300000000, -0.0006453800000000, -0.0015329800000000 ] - [ 0.0003173800000000, -0.0006604700000000, 0.0003953200000000 ] - [ 0.0003219900000000, 0.0006516800000000, 0.0004142600000000 ] - [ -0.0000040400000000, 0.0000605300000000, -0.0001402100000000 ] - [ -0.0000657800000000, -0.0000497500000000, -0.0004954200000000 ] - [ 0.0001845600000000, -0.0002196100000000, -0.0003358700000000 ] - [ 0.0011902700000000, 0.0005100200000000, 0.0000192500000000 ] - [ 0.0034205300000000, -0.0006702000000000, 0.0003243300000000 ] - [ 0.0000580600000000, -0.0000256300000000, -0.0000821200000000 ] - [ -0.0005382400000000, -0.0001322700000000, -0.0003394900000000 ] - [ 0.0001556700000000, 0.0001214400000000, -0.0003793100000000 ] - [ -0.0003435800000000, -0.0000133800000000, -0.0002680000000000 ] - [ -0.0002681400000000, 0.0001760400000000, -0.0004061500000000 ] - [ 0.0001151300000000, 0.0001633700000000, 0.0004151600000000 ] - [ 0.0000439200000000, -0.0000272300000000, -0.0002866100000000 ] - [ 0.0002281800000000, -0.0000269300000000, 0.0001672100000000 ] - [ -0.0038011200000000, -0.0055070700000000, -0.0027364000000000 ] - [ 0.0002574600000000, -0.0000892000000000, -0.0003185600000000 ] - [ 0.0000667800000000, -0.0001649300000000, -0.0003431200000000 ] - [ 0.0006374600000000, 0.0002468000000000, 0.0003450700000000 ] - [ -0.0003205700000000, 0.0004886200000000, -0.0001604300000000 ] - [ 0.0003521400000000, 0.0000810900000000, -0.0001072500000000 ] - [ 0.0027783000000000, 0.0016892300000000, -0.0013934000000000 ] - [ -0.0002180400000000, -0.0003940500000000, 0.0000265000000000 ] - [ -0.0004333100000000, -0.0000243400000000, -0.0004935800000000 ] - [ 0.0001712200000000, -0.0000545800000000, -0.0002519200000000 ] - [ -0.0005451900000000, -0.0002668400000000, -0.0020632500000000 ] - [ -0.0030323200000000, 0.0005785100000000, -0.0014800000000000 ] - [ -0.0001712800000000, 0.0005546400000000, 0.0002466600000000 ] - [ 0.0000920700000000, 0.0000233900000000, -0.0000598600000000 ] - [ 0.0001823800000000, 0.0000469000000000, -0.0002641500000000 ] - [ 0.0004999600000000, -0.0004368800000000, -0.0002152900000000 ] - [ 0.0005700300000000, 0.0010262600000000, -0.0011940700000000 ] - [ -0.0001596400000000, 0.0001316900000000, -0.0000399900000000 ] - [ 0.0000492600000000, -0.0001906200000000, -0.0005810800000000 ] - [ -0.0003768000000000, -0.0000017500000000, -0.0002767600000000 ] - [ -0.0013008400000000, 0.0004588800000000, 0.0028556400000000 ]- atom: 61 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0005789000000000, 0.0001294000000000, -0.0001851600000000 ] - [ -0.0023623800000000, 0.0019185500000000, -0.0007698100000000 ] - [ 0.0000198700000000, -0.0001155300000000, -0.0003375200000000 ] - [ 0.0000496300000000, 0.0003788100000000, 0.0006088900000000 ] - [ -0.0003878400000000, 0.0001227300000000, -0.0003047800000000 ] - [ -0.0006324900000000, -0.0002801500000000, 0.0001199800000000 ] - [ -0.0003640600000000, -0.0001249900000000, -0.0003071100000000 ] - [ -0.0006292200000000, 0.0002801100000000, 0.0001156900000000 ] - [ -0.0005941000000000, 0.0000703300000000, -0.0002884300000000 ] - [ -0.0014166600000000, -0.0001127300000000, -0.0004221100000000 ] - [ 0.0080805000000000, -0.0046897400000000, -0.0051602300000000 ] - [ 0.0052275300000000, -0.0008659400000000, -0.0012274100000000 ] - [ -0.0010626000000000, 0.0000489300000000, -0.0004616800000000 ] - [ -0.0010543900000000, -0.0000807500000000, -0.0003038500000000 ] - [ -0.0013126500000000, 0.0003179500000000, 0.0000941300000000 ] - [ -0.0013092500000000, -0.0003170800000000, 0.0000896700000000 ] - [ 0.0021662500000000, 0.0001683100000000, -0.0009469800000000 ] - [ 0.0770124500000000, 0.0849200200000000, 0.0515007700000000 ] - [ 0.0041412900000000, 0.0015455200000000, 0.0003352600000000 ] - [ -0.0012598300000000, 0.0003381600000000, 0.0008151300000000 ] - [ -0.0003010100000000, 0.0001043500000000, -0.0006905000000000 ] - [ -0.0010383000000000, 0.0002553600000000, -0.0001491400000000 ] - [ -0.0006586500000000, -0.0001822400000000, 0.0001558800000000 ] - [ -0.0012832600000000, -0.0003278700000000, 0.0007994400000000 ] - [ 0.0006063700000000, -0.0002757300000000, 0.0016041400000000 ] - [ -0.0007043800000000, -0.0002595800000000, 0.0002806700000000 ] - [ -0.0009746900000000, 0.0003812600000000, 0.0002081800000000 ] - [ -0.0009477900000000, -0.0003697000000000, 0.0001483300000000 ] - [ -0.0008049400000000, 0.0007069400000000, -0.0008267800000000 ] - [ -0.0006003200000000, 0.0002366900000000, 0.0004096400000000 ] - [ -0.0005454300000000, -0.0006713500000000, 0.0023647700000000 ] - [ -0.0007691100000000, -0.0001717100000000, -0.0003204500000000 ] - [ -0.0008851400000000, -0.0001077000000000, -0.0001097300000000 ] - [ -0.0002365800000000, -0.0007360600000000, 0.0003085400000000 ] - [ -0.0002369400000000, 0.0007348600000000, 0.0002982300000000 ] - [ -0.0004594200000000, 0.0016505100000000, -0.0038861700000000 ] - [ -0.0010429300000000, -0.0002106100000000, -0.0000860400000000 ] - [ -0.0011671300000000, 0.0002953700000000, -0.0000306600000000 ] - [ -0.0008110700000000, -0.0003479700000000, -0.0003289100000000 ] - [ 0.0010618000000000, -0.0037086700000000, 0.0034904000000000 ] - [ -0.0010624300000000, 0.0002174400000000, -0.0001200500000000 ] - [ -0.0004003900000000, -0.0001630700000000, 0.0006554500000000 ] - [ -0.0030324800000000, 0.0008005500000000, 0.0012077900000000 ] - [ 0.0002629500000000, -0.0005615600000000, -0.0000979400000000 ] - [ -0.0006567300000000, 0.0003348300000000, -0.0002030200000000 ] - [ -0.0010804100000000, 0.0001392900000000, -0.0000135200000000 ] - [ -0.0008926400000000, 0.0001076600000000, -0.0001087500000000 ] - [ -0.0006715200000000, -0.0000857400000000, -0.0004375800000000 ] - [ 0.0011994100000000, 0.0007204800000000, -0.0000302700000000 ] - [ -0.0002672600000000, -0.0004949600000000, -0.0004568800000000 ] - [ 0.0000551000000000, -0.0001548400000000, 0.0001393300000000 ] - [ 0.0000572500000000, -0.0002508200000000, 0.0005369800000000 ] - [ 0.0007573100000000, -0.0001180500000000, 0.0000191900000000 ] - [ -0.0017493400000000, -0.0003266300000000, -0.0002616100000000 ] - [ 0.0005680300000000, -0.0005631300000000, -0.0002670800000000 ] - [ 0.0002135400000000, -0.0000403000000000, -0.0001593200000000 ] - [ -0.0011624300000000, 0.0000155700000000, 0.0013154000000000 ] - [ 0.0001236100000000, 0.0000165000000000, 0.0005270400000000 ] - [ -0.0016867500000000, -0.0004874400000000, -0.0007675700000000 ] - [ 0.0001326000000000, -0.0000165700000000, 0.0005220000000000 ] - [ -0.0775640400000000, -0.0828200300000000, -0.0335380600000000 ] - [ -0.0008267800000000, 0.0007261100000000, 0.0007724900000000 ] - [ 0.0001172800000000, 0.0000420400000000, 0.0000173700000000 ] - [ -0.0123592500000000, -0.0049675900000000, -0.0061554600000000 ] - [ 0.0005596800000000, -0.0000459400000000, -0.0000845700000000 ] - [ 0.0007178900000000, 0.0001042300000000, 0.0000180600000000 ] - [ 0.0004776500000000, 0.0003108800000000, -0.0001192000000000 ] - [ 0.0083253000000000, 0.0044088900000000, 0.0075044600000000 ] - [ -0.0011613000000000, -0.0000291500000000, -0.0000979400000000 ] - [ 0.0004239400000000, 0.0001798600000000, -0.0004608700000000 ] - [ -0.0001470100000000, 0.0000153300000000, -0.0005981800000000 ] - [ 0.0008850700000000, 0.0005355900000000, -0.0000727400000000 ] - [ 0.0005859000000000, -0.0000852400000000, 0.0001317600000000 ] - [ 0.0005013300000000, -0.0000414600000000, -0.0005127300000000 ] - [ -0.0087593600000000, -0.0073788200000000, -0.0050447800000000 ] - [ 0.0004379700000000, -0.0003339700000000, 0.0003111700000000 ] - [ 0.0009229800000000, -0.0003038100000000, -0.0002291700000000 ] - [ 0.0016989600000000, 0.0000009100000000, 0.0003442200000000 ] - [ 0.0005195200000000, 0.0005282800000000, -0.0002422700000000 ] - [ 0.0004058900000000, -0.0002307300000000, -0.0003205200000000 ] - [ 0.0006934600000000, 0.0002211800000000, -0.0001327200000000 ] - [ 0.0003715700000000, 0.0005886000000000, 0.0008472500000000 ] - [ 0.0002680900000000, -0.0003079600000000, 0.0000291400000000 ] - [ -0.0003749900000000, 0.0021080600000000, -0.0059938200000000 ] - [ -0.0007106600000000, -0.0005857700000000, 0.0003613300000000 ] - [ 0.0004821900000000, -0.0003122900000000, -0.0001191800000000 ] - [ 0.0003773300000000, -0.0005912400000000, 0.0008500900000000 ] - [ 0.0001115200000000, 0.0004049800000000, 0.0000302900000000 ] - [ -0.0016535300000000, 0.0003778900000000, -0.0005544000000000 ] - [ 0.0003714600000000, -0.0001801300000000, -0.0015367500000000 ] - [ 0.0006898900000000, -0.0005209000000000, -0.0001390400000000 ] - [ 0.0004365600000000, 0.0003347500000000, 0.0002970100000000 ] - [ 0.0000944300000000, 0.0001356800000000, -0.0001534500000000 ] - [ 0.0002197900000000, 0.0000181800000000, -0.0002482600000000 ] - [ 0.0006585300000000, 0.0007976300000000, -0.0001257200000000 ] - [ 0.0000609500000000, 0.0002664600000000, 0.0005686300000000 ] - [ -0.0001555500000000, 0.0002035200000000, -0.0003628600000000 ] - [ 0.0002443300000000, -0.0001801100000000, -0.0002741800000000 ] - [ 0.0001107400000000, -0.0001166000000000, -0.0000322200000000 ] - [ 0.0004873100000000, -0.0000208200000000, 0.0005644400000000 ] - [ 0.0005281500000000, 0.0001169500000000, -0.0001906300000000 ] - [ -0.0000300800000000, 0.0000795500000000, -0.0003470500000000 ] - [ 0.0008520600000000, -0.0007687600000000, -0.0005486300000000 ] - [ 0.0000925000000000, 0.0000601600000000, -0.0003173300000000 ] - [ 0.0005648800000000, -0.0000512600000000, 0.0001098300000000 ] - [ -0.0014034200000000, 0.0001307500000000, 0.0007551900000000 ] - [ 0.0003870300000000, 0.0001944100000000, -0.0004646500000000 ] - [ 0.0004442500000000, -0.0013338900000000, -0.0020828200000000 ] - [ 0.0006646600000000, -0.0005609800000000, 0.0004136800000000 ] - [ 0.0006648700000000, 0.0005587300000000, 0.0004181700000000 ] - [ 0.0003276400000000, 0.0000516900000000, -0.0002590400000000 ] - [ 0.0003886300000000, -0.0001930500000000, -0.0004690800000000 ] - [ 0.0006413200000000, 0.0000167800000000, -0.0000226900000000 ] - [ 0.0009182500000000, 0.0001518000000000, 0.0004636400000000 ] - [ -0.0011721900000000, 0.0017632200000000, 0.0013880400000000 ] - [ 0.0009373400000000, -0.0000166500000000, 0.0001746800000000 ] - [ -0.0001615400000000, -0.0002028300000000, -0.0003627200000000 ] - [ 0.0008515800000000, 0.0001808800000000, -0.0001291700000000 ] - [ 0.0002150100000000, -0.0002433100000000, -0.0003377700000000 ] - [ 0.0006604400000000, 0.0004272000000000, -0.0002371700000000 ] - [ 0.0004998800000000, -0.0000104600000000, 0.0000692700000000 ] - [ 0.0003567200000000, -0.0000487900000000, -0.0002716500000000 ] - [ 0.0005667700000000, 0.0000512900000000, 0.0001064100000000 ] - [ -0.0005245900000000, -0.0008520800000000, -0.0018452100000000 ] - [ 0.0008898100000000, -0.0002939300000000, -0.0002127600000000 ] - [ 0.0007908600000000, -0.0001715800000000, -0.0001669300000000 ] - [ 0.0001692900000000, 0.0003447400000000, 0.0000509000000000 ] - [ 0.0002495300000000, 0.0001786200000000, -0.0002886900000000 ] - [ 0.0007531100000000, 0.0002340200000000, -0.0001438800000000 ] - [ -0.0016247600000000, 0.0018019000000000, 0.0040345300000000 ] - [ 0.0002468200000000, -0.0003165400000000, -0.0000456500000000 ] - [ -0.0000298200000000, -0.0000804200000000, -0.0003436900000000 ] - [ 0.0006057800000000, 0.0001324400000000, -0.0003607300000000 ] - [ 0.0059168100000000, 0.0044341500000000, -0.0095461500000000 ] - [ -0.0038848100000000, 0.0022142800000000, 0.0009289100000000 ] - [ 0.0001345900000000, 0.0003876600000000, 0.0001128300000000 ] - [ 0.0009406400000000, 0.0000154500000000, 0.0001835000000000 ] - [ 0.0006104900000000, -0.0001330200000000, -0.0003600600000000 ] - [ 0.0009060100000000, -0.0006051000000000, 0.0000139700000000 ] - [ 0.0043708800000000, -0.0013414400000000, 0.0062250300000000 ] - [ 0.0001349700000000, 0.0001050000000000, 0.0000243700000000 ] - [ 0.0004059100000000, 0.0001384400000000, -0.0001197000000000 ] - [ 0.0002247700000000, 0.0002486000000000, -0.0003583100000000 ] - [ -0.0002676600000000, 0.0002115900000000, 0.0002567300000000 ]- atom: 61 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0005463100000000, 0.0001074600000000, -0.0004171400000000 ] - [ 0.0016829900000000, -0.0024340100000000, 0.0010870100000000 ] - [ -0.0000487000000000, -0.0001215800000000, -0.0002571200000000 ] - [ -0.0007357700000000, 0.0001402700000000, -0.0002691900000000 ] - [ 0.0003580800000000, 0.0001142600000000, -0.0002930900000000 ] - [ -0.0000531900000000, -0.0002387700000000, 0.0002116100000000 ] - [ 0.0003338800000000, -0.0001124500000000, -0.0002904200000000 ] - [ -0.0000562900000000, 0.0002381300000000, 0.0002162600000000 ] - [ 0.0008062700000000, 0.0002339100000000, -0.0004075200000000 ] - [ 0.0016414900000000, -0.0001913400000000, -0.0002809300000000 ] - [ -0.0081656300000000, 0.0051475700000000, 0.0052971000000000 ] - [ -0.0054082500000000, 0.0003446000000000, 0.0014332500000000 ] - [ 0.0012822500000000, 0.0002551700000000, -0.0002374600000000 ] - [ 0.0012725400000000, -0.0002228100000000, -0.0003958300000000 ] - [ 0.0011276900000000, 0.0001908900000000, 0.0001047900000000 ] - [ 0.0011245300000000, -0.0001921100000000, 0.0001094000000000 ] - [ -0.0021882400000000, -0.0002657300000000, 0.0008739300000000 ] - [ -0.0758015700000000, -0.0882954500000000, -0.0517498800000000 ] - [ -0.0028919200000000, 0.0000722500000000, 0.0005148200000000 ] - [ 0.0006907600000000, 0.0008122600000000, 0.0008500700000000 ] - [ 0.0011995300000000, -0.0001283100000000, 0.0003912600000000 ] - [ 0.0011454200000000, -0.0000864300000000, -0.0003203300000000 ] - [ 0.0010510900000000, 0.0000210200000000, -0.0003611800000000 ] - [ 0.0007143400000000, -0.0008224700000000, 0.0008652300000000 ] - [ 0.0002115300000000, 0.0003269600000000, -0.0019248400000000 ] - [ 0.0013990200000000, -0.0001784800000000, 0.0000976500000000 ] - [ 0.0010441700000000, 0.0003105400000000, -0.0002524300000000 ] - [ 0.0010171600000000, -0.0003220100000000, -0.0001915300000000 ] - [ 0.0012057100000000, -0.0005506300000000, 0.0006313100000000 ] - [ 0.0012927700000000, 0.0002016000000000, -0.0000321800000000 ] - [ 0.0005043800000000, 0.0007645800000000, -0.0025020500000000 ] - [ 0.0008740600000000, 0.0000026900000000, -0.0001443300000000 ] - [ 0.0008645200000000, 0.0000069000000000, 0.0000137800000000 ] - [ 0.0014988000000000, -0.0008805700000000, 0.0005200700000000 ] - [ 0.0014990000000000, 0.0008816300000000, 0.0005304000000000 ] - [ -0.0001342200000000, -0.0005143600000000, 0.0055659300000000 ] - [ 0.0018730400000000, 0.0001603900000000, -0.0002469300000000 ] - [ 0.0012715200000000, -0.0001255300000000, -0.0004392800000000 ] - [ 0.0012078400000000, 0.0001875800000000, 0.0001264200000000 ] - [ -0.0016435000000000, 0.0025585400000000, -0.0017938600000000 ] - [ 0.0018928200000000, -0.0001672500000000, -0.0002128800000000 ] - [ 0.0010906900000000, -0.0002743700000000, -0.0002735600000000 ] - [ 0.0030886000000000, -0.0001161700000000, -0.0012790800000000 ] - [ -0.0001916000000000, -0.0001289400000000, 0.0000636400000000 ] - [ 0.0010533300000000, -0.0001750300000000, 0.0000024400000000 ] - [ 0.0017808700000000, 0.0003015200000000, 0.0003858100000000 ] - [ 0.0008716500000000, -0.0000065200000000, 0.0000126100000000 ] - [ 0.0007789800000000, -0.0000831400000000, -0.0000269800000000 ] - [ -0.0022216300000000, -0.0004457900000000, -0.0006416000000000 ] - [ -0.0002995800000000, -0.0004427400000000, 0.0001316900000000 ] - [ -0.0003860800000000, -0.0000784800000000, -0.0001820700000000 ] - [ -0.0005322000000000, -0.0000223800000000, 0.0006102500000000 ] - [ -0.0004805400000000, 0.0005586900000000, 0.0003952600000000 ] - [ 0.0008887300000000, 0.0003687300000000, -0.0007296100000000 ] - [ -0.0006495700000000, 0.0001199000000000, 0.0001412100000000 ] - [ -0.0003449100000000, 0.0001630500000000, -0.0001569100000000 ] - [ 0.0016487400000000, 0.0000370500000000, -0.0010049100000000 ] - [ -0.0011823900000000, 0.0003589500000000, 0.0001767800000000 ] - [ 0.0015896500000000, 0.0006012500000000, -0.0002145500000000 ] - [ -0.0011915600000000, -0.0003585100000000, 0.0001821500000000 ] - [ 0.0781632600000000, 0.0830984700000000, 0.0353758300000000 ] - [ 0.0014927300000000, 0.0005832800000000, 0.0000283500000000 ] - [ -0.0000505900000000, 0.0000441700000000, -0.0004555200000000 ] - [ 0.0123056200000000, 0.0048976400000000, 0.0053031700000000 ] - [ -0.0002258600000000, -0.0003113800000000, 0.0000970500000000 ] - [ -0.0004401100000000, -0.0005443000000000, 0.0003959500000000 ] - [ -0.0002176400000000, 0.0004925900000000, 0.0000071900000000 ] - [ -0.0080800500000000, -0.0044017200000000, -0.0075353600000000 ] - [ 0.0001145500000000, -0.0002385400000000, -0.0006040500000000 ] - [ -0.0001384300000000, 0.0001080100000000, -0.0002436800000000 ] - [ -0.0005247900000000, -0.0000452700000000, 0.0000451400000000 ] - [ -0.0005558400000000, 0.0001283300000000, -0.0005199700000000 ] - [ -0.0002536300000000, 0.0004455000000000, -0.0001227200000000 ] - [ -0.0004351500000000, -0.0000446400000000, 0.0000826400000000 ] - [ 0.0093120700000000, 0.0074417500000000, 0.0053757400000000 ] - [ -0.0003736100000000, -0.0006820900000000, 0.0004117800000000 ] - [ -0.0002992000000000, 0.0001245600000000, -0.0002005500000000 ] - [ -0.0014255100000000, -0.0002867400000000, -0.0010534400000000 ] - [ -0.0006008800000000, -0.0000852300000000, 0.0001158600000000 ] - [ -0.0009864200000000, 0.0011744300000000, 0.0000017800000000 ] - [ -0.0000685600000000, -0.0000413900000000, -0.0002995800000000 ] - [ -0.0007402000000000, 0.0001089100000000, 0.0006777400000000 ] - [ -0.0006668900000000, -0.0006099100000000, 0.0002477100000000 ] - [ -0.0004571700000000, -0.0021400200000000, 0.0049501600000000 ] - [ 0.0010926200000000, 0.0004960700000000, -0.0008888900000000 ] - [ -0.0002222000000000, -0.0004911100000000, 0.0000073100000000 ] - [ -0.0007459400000000, -0.0001064400000000, 0.0006746600000000 ] - [ -0.0005082900000000, 0.0005112900000000, 0.0002441800000000 ] - [ 0.0018656600000000, -0.0003281600000000, 0.0004262200000000 ] - [ 0.0000205500000000, 0.0002764600000000, 0.0010011200000000 ] - [ -0.0003577600000000, -0.0001434500000000, -0.0004532700000000 ] - [ -0.0003721200000000, 0.0006815700000000, 0.0004255800000000 ] - [ -0.0004225800000000, 0.0000965100000000, 0.0001122200000000 ] - [ -0.0003509600000000, -0.0001406100000000, -0.0000668400000000 ] - [ -0.0013346300000000, -0.0007706500000000, -0.0004149400000000 ] - [ -0.0005360900000000, 0.0000063700000000, 0.0005779900000000 ] - [ -0.0008903300000000, 0.0000641600000000, -0.0003310600000000 ] - [ -0.0008149300000000, -0.0007587900000000, -0.0000466900000000 ] - [ -0.0004403900000000, -0.0001161200000000, -0.0000095400000000 ] - [ -0.0009671500000000, -0.0002569600000000, 0.0005935500000000 ] - [ -0.0002462100000000, 0.0003206400000000, 0.0006028400000000 ] - [ -0.0008130400000000, -0.0000241300000000, -0.0006268100000000 ] - [ -0.0009295000000000, 0.0003246700000000, 0.0004238900000000 ] - [ -0.0002234500000000, 0.0000632200000000, -0.0000007100000000 ] - [ -0.0000876700000000, 0.0001001100000000, 0.0002301300000000 ] - [ 0.0003448400000000, 0.0002475700000000, -0.0000584100000000 ] - [ -0.0004828400000000, -0.0000795800000000, -0.0005093000000000 ] - [ -0.0014808400000000, 0.0009815600000000, 0.0028047000000000 ] - [ -0.0000009000000000, -0.0007449600000000, 0.0003965100000000 ] - [ -0.0000009900000000, 0.0007473800000000, 0.0003915900000000 ] - [ -0.0002614700000000, 0.0000346500000000, -0.0001756400000000 ] - [ -0.0004842700000000, 0.0000783700000000, -0.0005048300000000 ] - [ -0.0003081300000000, -0.0003752000000000, 0.0000352500000000 ] - [ -0.0006492300000000, -0.0005972600000000, -0.0000511600000000 ] - [ 0.0014398700000000, -0.0009679300000000, -0.0015091400000000 ] - [ -0.0007246300000000, -0.0000307200000000, -0.0002966600000000 ] - [ -0.0008843300000000, -0.0000647400000000, -0.0003318200000000 ] - [ -0.0005705600000000, 0.0001064800000000, -0.0005769800000000 ] - [ -0.0008920100000000, 0.0002147400000000, -0.0002104300000000 ] - [ -0.0003280700000000, 0.0002374500000000, -0.0003552900000000 ] - [ -0.0001669200000000, 0.0003695900000000, -0.0000600200000000 ] - [ -0.0002908900000000, -0.0000374200000000, -0.0001617700000000 ] - [ -0.0000894300000000, -0.0000999000000000, 0.0002336800000000 ] - [ 0.0005865000000000, -0.0001648600000000, 0.0025763000000000 ] - [ -0.0002652600000000, 0.0001145600000000, -0.0002176700000000 ] - [ -0.0005099100000000, -0.0001154900000000, -0.0005394900000000 ] - [ -0.0002515500000000, 0.0000986400000000, -0.0001801500000000 ] - [ -0.0008199500000000, 0.0007600900000000, -0.0000321600000000 ] - [ -0.0001293600000000, -0.0000546500000000, -0.0002876500000000 ] - [ 0.0012623900000000, -0.0011261400000000, -0.0025303800000000 ] - [ -0.0006440600000000, -0.0006009400000000, 0.0003216500000000 ] - [ -0.0008134300000000, 0.0000253100000000, -0.0006301000000000 ] - [ -0.0002209200000000, -0.0002207100000000, -0.0001634500000000 ] - [ -0.0056913000000000, -0.0052564400000000, 0.0095648400000000 ] - [ 0.0035248100000000, -0.0029186800000000, 0.0005880100000000 ] - [ -0.0005325200000000, 0.0005291800000000, 0.0001622900000000 ] - [ -0.0007275400000000, 0.0000325000000000, -0.0003060900000000 ] - [ -0.0002258400000000, 0.0002213000000000, -0.0001644900000000 ] - [ -0.0005769300000000, -0.0000587400000000, -0.0006062800000000 ] - [ -0.0044039900000000, 0.0023793700000000, -0.0056257000000000 ] - [ -0.0004654500000000, 0.0001280600000000, -0.0000660400000000 ] - [ -0.0005380000000000, -0.0002597200000000, -0.0001923900000000 ] - [ -0.0009016200000000, -0.0002199400000000, -0.0001899200000000 ] - [ -0.0002061400000000, 0.0000601700000000, 0.0008839600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000591300000000, 0.0001576400000000, 0.0001393400000000 ] - [ 0.0018345300000000, 0.0003821200000000, 0.0012820900000000 ] - [ -0.0000151900000000, -0.0001202700000000, -0.0005906800000000 ] - [ -0.0002483400000000, 0.0003917300000000, -0.0001352500000000 ] - [ -0.0001195600000000, 0.0001214800000000, -0.0002899200000000 ] - [ -0.0004233600000000, -0.0002648400000000, 0.0001571800000000 ] - [ -0.0001124300000000, -0.0001189300000000, -0.0003108100000000 ] - [ -0.0004242500000000, 0.0002651600000000, 0.0001479500000000 ] - [ 0.0005141300000000, 0.0001368300000000, -0.0005947000000000 ] - [ -0.0008426800000000, -0.0001410800000000, -0.0000685500000000 ] - [ -0.0016452600000000, 0.0069774200000000, 0.0189099200000000 ] - [ 0.0013948800000000, -0.0026323200000000, -0.0074294600000000 ] - [ -0.0002971700000000, 0.0000953700000000, -0.0004342400000000 ] - [ -0.0001439500000000, -0.0001537800000000, -0.0002908800000000 ] - [ -0.0004342700000000, 0.0002714400000000, 0.0001044000000000 ] - [ -0.0004380800000000, -0.0002732500000000, 0.0000911300000000 ] - [ 0.0002892700000000, 0.0001524500000000, -0.0017893200000000 ] - [ 0.0786230300000000, 0.1696070400000000, 0.0866107000000000 ] - [ 0.0014938000000000, 0.0008351700000000, -0.0033649900000000 ] - [ -0.0005399600000000, 0.0005175700000000, 0.0008289600000000 ] - [ -0.0008162100000000, -0.0005953400000000, 0.0004059600000000 ] - [ -0.0003577200000000, 0.0001492400000000, 0.0000010700000000 ] - [ 0.0003400800000000, 0.0000133200000000, 0.0003836300000000 ] - [ -0.0005890200000000, -0.0004960000000000, 0.0008218600000000 ] - [ 0.0023651400000000, -0.0007632500000000, -0.0003505800000000 ] - [ -0.0000434100000000, -0.0002410900000000, 0.0001690900000000 ] - [ -0.0002515200000000, 0.0003591200000000, 0.0000850500000000 ] - [ -0.0002396000000000, -0.0003456500000000, -0.0000167100000000 ] - [ -0.0004399300000000, 0.0005882700000000, -0.0008628900000000 ] - [ 0.0001748900000000, 0.0002121800000000, 0.0002880300000000 ] - [ -0.0003110800000000, 0.0008961400000000, 0.0011015000000000 ] - [ -0.0000486300000000, -0.0000916300000000, -0.0004590100000000 ] - [ -0.0002560700000000, -0.0000656400000000, -0.0000700500000000 ] - [ 0.0003882800000000, -0.0007876000000000, 0.0003929700000000 ] - [ 0.0003809500000000, 0.0007870700000000, 0.0003729600000000 ] - [ -0.0043091600000000, -0.0021581000000000, 0.0008531100000000 ] - [ 0.0000252500000000, -0.0000735900000000, -0.0001414700000000 ] - [ -0.0001403500000000, 0.0000779300000000, 0.0001964900000000 ] - [ -0.0001356600000000, -0.0001411900000000, -0.0001034300000000 ] - [ 0.0014961300000000, -0.0040825300000000, 0.0017397100000000 ] - [ -0.0000234900000000, 0.0000831500000000, -0.0001534300000000 ] - [ 0.0006199000000000, -0.0002545500000000, -0.0000961300000000 ] - [ 0.0026058900000000, 0.0009362000000000, 0.0030981000000000 ] - [ -0.0004887400000000, -0.0002240000000000, -0.0018086400000000 ] - [ 0.0000030700000000, 0.0001648600000000, -0.0001935400000000 ] - [ -0.0006245200000000, 0.0001803800000000, 0.0004772000000000 ] - [ -0.0002624000000000, 0.0000669900000000, -0.0000599500000000 ] - [ -0.0002183300000000, -0.0000821900000000, -0.0006062600000000 ] - [ 0.0006626300000000, 0.0012681300000000, 0.0003190900000000 ] - [ -0.0007221200000000, -0.0007108900000000, 0.0000072600000000 ] - [ -0.0000008300000000, -0.0001228900000000, 0.0001137200000000 ] - [ -0.0001620000000000, -0.0001565300000000, 0.0005426300000000 ] - [ 0.0003510100000000, 0.0001076500000000, 0.0001413000000000 ] - [ 0.0007077000000000, 0.0016563100000000, -0.0002722600000000 ] - [ 0.0001456900000000, -0.0003269100000000, -0.0001412200000000 ] - [ 0.0000211500000000, 0.0000194700000000, -0.0001098800000000 ] - [ -0.0007564500000000, -0.0011757300000000, 0.0043619100000000 ] - [ -0.0003432100000000, 0.0001361700000000, 0.0004093000000000 ] - [ -0.0003407700000000, 0.0010312000000000, 0.0010731700000000 ] - [ -0.0003435800000000, -0.0001422800000000, 0.0003932200000000 ] - [ -0.0803957700000000, -0.2199780600000000, -0.1139347100000000 ] - [ 0.0002583200000000, -0.0004858800000000, 0.0023085200000000 ] - [ -0.0000372900000000, 0.0000579200000000, 0.0002566200000000 ] - [ -0.0015668300000000, 0.0340140400000000, -0.0069342500000000 ] - [ 0.0002088300000000, -0.0002523500000000, -0.0001841800000000 ] - [ 0.0002693300000000, -0.0001442000000000, 0.0001650100000000 ] - [ 0.0002243600000000, 0.0003755900000000, -0.0000719900000000 ] - [ 0.0065125600000000, 0.0002941800000000, 0.0024064100000000 ] - [ -0.0006617700000000, -0.0001398900000000, -0.0000242500000000 ] - [ -0.0002364100000000, 0.0000998700000000, -0.0005808100000000 ] - [ -0.0006802800000000, 0.0003116700000000, -0.0000190500000000 ] - [ 0.0005082700000000, 0.0004015500000000, -0.0002280300000000 ] - [ 0.0003501200000000, -0.0000158200000000, 0.0002217900000000 ] - [ 0.0001729100000000, -0.0000091600000000, -0.0006853100000000 ] - [ -0.0015990000000000, 0.0026872900000000, 0.0154915200000000 ] - [ 0.0001503600000000, -0.0004578500000000, 0.0003539300000000 ] - [ 0.0005482200000000, -0.0001779100000000, -0.0003453700000000 ] - [ 0.0014458600000000, -0.0000342400000000, 0.0002103100000000 ] - [ 0.0000986100000000, 0.0002958400000000, -0.0000905700000000 ] - [ 0.0006264400000000, -0.0004520200000000, -0.0006369200000000 ] - [ 0.0003312500000000, 0.0000931900000000, -0.0000825100000000 ] - [ -0.0000316700000000, 0.0004144300000000, 0.0007859200000000 ] - [ 0.0000537700000000, -0.0003372600000000, 0.0000205700000000 ] - [ -0.0003320800000000, 0.0014644600000000, -0.0043469600000000 ] - [ 0.0000688200000000, -0.0001884500000000, 0.0003148800000000 ] - [ 0.0002345500000000, -0.0003754500000000, -0.0000775300000000 ] - [ -0.0000195000000000, -0.0004204700000000, 0.0007881000000000 ] - [ -0.0002342700000000, 0.0005228800000000, 0.0001960900000000 ] - [ -0.0015791300000000, 0.0003208900000000, 0.0004465300000000 ] - [ -0.0007374100000000, -0.0009516200000000, -0.0002294600000000 ] - [ 0.0001875700000000, -0.0003804900000000, -0.0002556600000000 ] - [ 0.0001427000000000, 0.0004597900000000, 0.0003384100000000 ] - [ -0.0003113600000000, 0.0001980500000000, -0.0001371000000000 ] - [ 0.0000052400000000, -0.0000485300000000, -0.0002269300000000 ] - [ 0.0002921600000000, 0.0008600300000000, -0.0007918300000000 ] - [ -0.0001455400000000, 0.0001853200000000, 0.0005926600000000 ] - [ -0.0004172900000000, 0.0001547300000000, -0.0003546100000000 ] - [ -0.0001274600000000, -0.0003825700000000, -0.0001904100000000 ] - [ -0.0000967400000000, -0.0001107300000000, -0.0000136300000000 ] - [ 0.0005873800000000, 0.0002879800000000, -0.0008886700000000 ] - [ -0.0002854100000000, 0.0006310500000000, 0.0001815200000000 ] - [ -0.0003126300000000, 0.0000419200000000, -0.0004476300000000 ] - [ -0.0002391700000000, -0.0004607300000000, -0.0005146200000000 ] - [ -0.0000787000000000, -0.0000301700000000, 0.0000462400000000 ] - [ 0.0003306600000000, 0.0000026600000000, 0.0001551400000000 ] - [ 0.0003536800000000, -0.0000208500000000, 0.0015757500000000 ] - [ 0.0000766100000000, 0.0000984400000000, -0.0004765400000000 ] - [ -0.0049476200000000, 0.0038294500000000, -0.0012754100000000 ] - [ 0.0004253900000000, -0.0006281200000000, 0.0004034300000000 ] - [ 0.0004277300000000, 0.0006230100000000, 0.0004140800000000 ] - [ 0.0001027400000000, 0.0000540700000000, -0.0001891900000000 ] - [ 0.0000751700000000, -0.0000955700000000, -0.0004855300000000 ] - [ 0.0003289100000000, -0.0001389100000000, -0.0002285700000000 ] - [ 0.0009584900000000, 0.0003813100000000, 0.0000473100000000 ] - [ 0.0008021900000000, 0.0009554600000000, 0.0012684500000000 ] - [ 0.0003317400000000, -0.0000220800000000, -0.0000005300000000 ] - [ -0.0004208700000000, -0.0001547300000000, -0.0003478200000000 ] - [ 0.0003651100000000, 0.0001417700000000, -0.0002996200000000 ] - [ -0.0001735300000000, -0.0000839400000000, -0.0002904600000000 ] - [ 0.0001382000000000, 0.0002975900000000, -0.0003192800000000 ] - [ 0.0002406900000000, 0.0001106700000000, 0.0002053500000000 ] - [ 0.0001367900000000, -0.0000346400000000, -0.0002703200000000 ] - [ 0.0003328400000000, -0.0000030200000000, 0.0001487900000000 ] - [ -0.0004024000000000, 0.0002285900000000, 0.0011385400000000 ] - [ 0.0004330800000000, -0.0001455900000000, -0.0002747500000000 ] - [ 0.0003016900000000, -0.0001604700000000, -0.0002919100000000 ] - [ 0.0000922200000000, 0.0001645000000000, 0.0003078300000000 ] - [ -0.0001422300000000, 0.0003903600000000, -0.0001992500000000 ] - [ 0.0004561700000000, 0.0001252900000000, -0.0001414300000000 ] - [ 0.0019274200000000, 0.0049448000000000, 0.0041921200000000 ] - [ -0.0001018700000000, -0.0003720400000000, 0.0000304700000000 ] - [ -0.0003094000000000, -0.0000412100000000, -0.0004474200000000 ] - [ 0.0003064600000000, 0.0000039300000000, -0.0002864000000000 ] - [ 0.0024584800000000, -0.0015750300000000, -0.0039913200000000 ] - [ -0.0045449700000000, 0.0030276700000000, 0.0030477000000000 ] - [ -0.0000997500000000, 0.0004767100000000, 0.0001941000000000 ] - [ 0.0003507500000000, 0.0000205000000000, 0.0000134800000000 ] - [ 0.0003137900000000, -0.0000083800000000, -0.0002927900000000 ] - [ 0.0005770600000000, -0.0004845700000000, -0.0001455100000000 ] - [ -0.0006246100000000, -0.0025511200000000, -0.0018289700000000 ] - [ -0.0000716800000000, 0.0001223600000000, -0.0000173300000000 ] - [ 0.0001362500000000, -0.0001139400000000, -0.0004324000000000 ] - [ -0.0001888500000000, 0.0000773000000000, -0.0003006000000000 ] - [ -0.0004916500000000, 0.0003158200000000, 0.0015830000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000886100000000, 0.0000788400000000, -0.0007346400000000 ] - [ -0.0024786300000000, -0.0009243900000000, -0.0009419000000000 ] - [ -0.0000149400000000, -0.0001168800000000, -0.0000077700000000 ] - [ -0.0004360700000000, 0.0001268500000000, 0.0004675700000000 ] - [ 0.0000884000000000, 0.0001157000000000, -0.0003074500000000 ] - [ -0.0002635500000000, -0.0002541100000000, 0.0001745300000000 ] - [ 0.0000810200000000, -0.0001183300000000, -0.0002867400000000 ] - [ -0.0002623900000000, 0.0002532900000000, 0.0001839400000000 ] - [ -0.0002971200000000, 0.0001666900000000, -0.0001057500000000 ] - [ 0.0010547600000000, -0.0001615200000000, -0.0006274900000000 ] - [ 0.0015079200000000, -0.0060286000000000, -0.0179849500000000 ] - [ -0.0015437600000000, 0.0021324800000000, 0.0076211700000000 ] - [ 0.0005101100000000, 0.0002078800000000, -0.0002650500000000 ] - [ 0.0003574500000000, -0.0001491700000000, -0.0004083900000000 ] - [ 0.0002434100000000, 0.0002379500000000, 0.0000949500000000 ] - [ 0.0002473100000000, -0.0002364400000000, 0.0001081200000000 ] - [ -0.0003036200000000, -0.0002528600000000, 0.0016904800000000 ] - [ -0.0821766100000000, -0.1793568900000000, -0.0910632500000000 ] - [ -0.0002002300000000, 0.0007828400000000, 0.0041744100000000 ] - [ -0.0000355400000000, 0.0006327400000000, 0.0008359100000000 ] - [ 0.0016509400000000, 0.0005304700000000, -0.0007144200000000 ] - [ 0.0004612300000000, 0.0000211300000000, -0.0004662500000000 ] - [ 0.0000566700000000, -0.0001736500000000, -0.0005840600000000 ] - [ 0.0000128800000000, -0.0006537100000000, 0.0008425600000000 ] - [ -0.0015403600000000, 0.0008107300000000, 0.0000166900000000 ] - [ 0.0007315900000000, -0.0001942700000000, 0.0002098300000000 ] - [ 0.0003158200000000, 0.0003304100000000, -0.0001272600000000 ] - [ 0.0003037400000000, -0.0003434100000000, -0.0000257500000000 ] - [ 0.0008324100000000, -0.0004227600000000, 0.0006561600000000 ] - [ 0.0005143500000000, 0.0002233000000000, 0.0000909500000000 ] - [ 0.0002744000000000, -0.0007547200000000, -0.0012096600000000 ] - [ 0.0001536000000000, -0.0000783200000000, -0.0000088100000000 ] - [ 0.0002299800000000, -0.0000351200000000, -0.0000257300000000 ] - [ 0.0008678900000000, -0.0008288500000000, 0.0004350500000000 ] - [ 0.0008748500000000, 0.0008293200000000, 0.0004548800000000 ] - [ 0.0037492500000000, 0.0033436900000000, 0.0007700100000000 ] - [ 0.0007973700000000, 0.0000224400000000, -0.0001897400000000 ] - [ 0.0002460900000000, 0.0000901900000000, -0.0006615600000000 ] - [ 0.0005298600000000, -0.0000200000000000, -0.0000985600000000 ] - [ -0.0020410900000000, 0.0028675800000000, -0.0000414800000000 ] - [ 0.0008459300000000, -0.0000317200000000, -0.0001775900000000 ] - [ 0.0000687900000000, -0.0001783700000000, 0.0004758400000000 ] - [ -0.0025366700000000, -0.0002151400000000, -0.0031248000000000 ] - [ 0.0005607200000000, -0.0004658500000000, 0.0017683600000000 ] - [ 0.0003914700000000, -0.0000034000000000, -0.0000089700000000 ] - [ 0.0013094100000000, 0.0002513900000000, -0.0000967100000000 ] - [ 0.0002360000000000, 0.0000343200000000, -0.0000360100000000 ] - [ 0.0003224200000000, -0.0000875300000000, 0.0001388900000000 ] - [ -0.0017014500000000, -0.0009930300000000, -0.0010003200000000 ] - [ 0.0001526000000000, -0.0002260500000000, -0.0003282200000000 ] - [ -0.0003281900000000, -0.0001123200000000, -0.0001548400000000 ] - [ -0.0003115600000000, -0.0001157100000000, 0.0006025000000000 ] - [ -0.0000687400000000, 0.0003303400000000, 0.0002703300000000 ] - [ -0.0015406800000000, -0.0015797300000000, -0.0007075900000000 ] - [ -0.0002248300000000, -0.0001173000000000, 0.0000161100000000 ] - [ -0.0001505200000000, 0.0001013900000000, -0.0002038300000000 ] - [ 0.0012236800000000, 0.0011996900000000, -0.0039654200000000 ] - [ -0.0007109300000000, 0.0002375900000000, 0.0002965700000000 ] - [ 0.0002389200000000, -0.0009144800000000, -0.0020443300000000 ] - [ -0.0007108900000000, -0.0002310200000000, 0.0003127200000000 ] - [ 0.0856529500000000, 0.2266599800000000, 0.1194583200000000 ] - [ 0.0004001500000000, 0.0017850000000000, -0.0014867000000000 ] - [ 0.0001026500000000, 0.0000287800000000, -0.0006866900000000 ] - [ 0.0014712300000000, -0.0345974100000000, 0.0058864200000000 ] - [ 0.0001267400000000, -0.0001070200000000, 0.0001924100000000 ] - [ 0.0000127500000000, -0.0002936000000000, 0.0002466400000000 ] - [ 0.0000380400000000, 0.0004264700000000, -0.0000420200000000 ] - [ -0.0062704800000000, -0.0003870900000000, -0.0025238900000000 ] - [ -0.0003854900000000, -0.0001290700000000, -0.0006680600000000 ] - [ 0.0005176500000000, 0.0001859300000000, -0.0001255100000000 ] - [ 0.0000050100000000, -0.0003417300000000, -0.0005305100000000 ] - [ -0.0001742400000000, 0.0002630800000000, -0.0003642400000000 ] - [ -0.0000136200000000, 0.0003742400000000, -0.0002111200000000 ] - [ -0.0001067800000000, -0.0000771700000000, 0.0002506500000000 ] - [ 0.0020998800000000, -0.0026696200000000, -0.0152543400000000 ] - [ -0.0000837800000000, -0.0005562300000000, 0.0003706500000000 ] - [ 0.0000776200000000, -0.0000007200000000, -0.0000870300000000 ] - [ -0.0011533700000000, -0.0002502900000000, -0.0009119500000000 ] - [ -0.0001780100000000, 0.0001481400000000, -0.0000343300000000 ] - [ -0.0011855200000000, 0.0013799600000000, 0.0003110400000000 ] - [ 0.0002937500000000, 0.0000854100000000, -0.0003484300000000 ] - [ -0.0003328000000000, 0.0002852300000000, 0.0007405800000000 ] - [ -0.0004484300000000, -0.0005798800000000, 0.0002564700000000 ] - [ -0.0005106400000000, -0.0014948900000000, 0.0033305400000000 ] - [ 0.0003158200000000, 0.0001001000000000, -0.0008349000000000 ] - [ 0.0000280100000000, -0.0004262800000000, -0.0000364800000000 ] - [ -0.0003447300000000, -0.0002792800000000, 0.0007380800000000 ] - [ -0.0001623400000000, 0.0003953100000000, 0.0000818300000000 ] - [ 0.0017929100000000, -0.0002714600000000, -0.0005729000000000 ] - [ 0.0011465200000000, 0.0010117700000000, -0.0002810300000000 ] - [ 0.0001448500000000, -0.0002839700000000, -0.0003360700000000 ] - [ -0.0000761800000000, 0.0005548200000000, 0.0003856300000000 ] - [ -0.0000193400000000, 0.0000373100000000, 0.0000951900000000 ] - [ -0.0001348200000000, -0.0000721000000000, -0.0000869100000000 ] - [ -0.0009716600000000, -0.0008261700000000, 0.0002351900000000 ] - [ -0.0003279300000000, 0.0000871400000000, 0.0005525200000000 ] - [ -0.0006253100000000, 0.0001156300000000, -0.0003387400000000 ] - [ -0.0004399700000000, -0.0005535900000000, -0.0001315200000000 ] - [ -0.0002321400000000, -0.0001236300000000, -0.0000274400000000 ] - [ -0.0010670200000000, -0.0005633500000000, 0.0020282200000000 ] - [ 0.0005691200000000, -0.0001932100000000, 0.0002279600000000 ] - [ -0.0005280800000000, 0.0000127300000000, -0.0005264900000000 ] - [ 0.0001508100000000, 0.0000170600000000, 0.0003915000000000 ] - [ -0.0000511600000000, 0.0001511200000000, -0.0003608200000000 ] - [ 0.0001492800000000, 0.0000454000000000, 0.0001841500000000 ] - [ -0.0014208500000000, 0.0003962100000000, -0.0008689600000000 ] - [ -0.0001689600000000, 0.0000183100000000, -0.0004973800000000 ] - [ 0.0038217100000000, -0.0041673300000000, 0.0019829600000000 ] - [ 0.0002411200000000, -0.0006759100000000, 0.0004076000000000 ] - [ 0.0002389300000000, 0.0006814100000000, 0.0003966200000000 ] - [ -0.0000361200000000, 0.0000327300000000, -0.0002438100000000 ] - [ -0.0001675000000000, -0.0000208000000000, -0.0004884500000000 ] - [ 0.0000070700000000, -0.0002196500000000, 0.0002366300000000 ] - [ -0.0006719600000000, -0.0008169800000000, 0.0003682000000000 ] - [ -0.0005510600000000, -0.0001488300000000, -0.0013740800000000 ] - [ -0.0001141600000000, -0.0000249200000000, -0.0001207000000000 ] - [ -0.0006217200000000, -0.0001153000000000, -0.0003460500000000 ] - [ -0.0000810600000000, 0.0001444300000000, -0.0004061200000000 ] - [ -0.0005009700000000, 0.0000530800000000, -0.0002594500000000 ] - [ 0.0001957600000000, 0.0003668400000000, -0.0002728000000000 ] - [ 0.0000952400000000, 0.0002486600000000, -0.0001958000000000 ] - [ -0.0000703000000000, -0.0000515700000000, -0.0001623200000000 ] - [ 0.0001472300000000, -0.0000446000000000, 0.0001906100000000 ] - [ 0.0004626000000000, -0.0012390300000000, -0.0004371400000000 ] - [ 0.0001919400000000, -0.0000326200000000, -0.0001568900000000 ] - [ -0.0000180900000000, -0.0001255200000000, -0.0004136600000000 ] - [ -0.0001717300000000, 0.0002796500000000, -0.0004331500000000 ] - [ -0.0004252600000000, 0.0005460100000000, -0.0001226100000000 ] - [ 0.0001696000000000, 0.0000534900000000, -0.0002899900000000 ] - [ -0.0023117600000000, -0.0042695600000000, -0.0026872400000000 ] - [ -0.0002940400000000, -0.0005451700000000, 0.0002471500000000 ] - [ -0.0005314000000000, -0.0000129000000000, -0.0005266600000000 ] - [ 0.0000812200000000, -0.0000907600000000, -0.0002377100000000 ] - [ -0.0021183300000000, 0.0008495800000000, 0.0037870200000000 ] - [ 0.0041061700000000, -0.0036624100000000, -0.0014995200000000 ] - [ -0.0002957400000000, 0.0004410100000000, 0.0000833500000000 ] - [ -0.0001324100000000, 0.0000273300000000, -0.0001352400000000 ] - [ 0.0000737200000000, 0.0000954400000000, -0.0002317700000000 ] - [ -0.0002429800000000, -0.0001799200000000, -0.0004460900000000 ] - [ 0.0007562900000000, 0.0035367900000000, 0.0026259200000000 ] - [ -0.0002578700000000, 0.0001127700000000, -0.0000242200000000 ] - [ -0.0002637200000000, -0.0000065000000000, 0.0001175400000000 ] - [ -0.0004857600000000, -0.0000462500000000, -0.0002493400000000 ] - [ 0.0000169600000000, -0.0000436300000000, -0.0004455600000000 ]- atom: 61 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0005497500000000, -0.0000230700000000, 0.0006656800000000 ] - [ -0.0006226800000000, 0.0006538700000000, 0.0027196600000000 ] - [ -0.0001698000000000, -0.0001327500000000, -0.0009801100000000 ] - [ -0.0002721800000000, 0.0002778200000000, -0.0011916000000000 ] - [ -0.0000381300000000, 0.0001197600000000, -0.0002770400000000 ] - [ -0.0003479700000000, -0.0002587700000000, 0.0001763900000000 ] - [ -0.0000051700000000, -0.0001174200000000, -0.0003206800000000 ] - [ -0.0003482400000000, 0.0002601700000000, 0.0001544800000000 ] - [ 0.0014816500000000, 0.0001283300000000, -0.0009229400000000 ] - [ -0.0013508700000000, -0.0001723200000000, 0.0002452100000000 ] - [ -0.0022703300000000, 0.0152095600000000, 0.0275433000000000 ] - [ -0.0010634700000000, -0.0016936800000000, -0.0107255700000000 ] - [ -0.0000745000000000, 0.0000713500000000, -0.0005571900000000 ] - [ 0.0002598000000000, -0.0002293400000000, -0.0001366400000000 ] - [ -0.0001089700000000, 0.0002540300000000, 0.0001149400000000 ] - [ -0.0001212500000000, -0.0002573400000000, 0.0000861300000000 ] - [ -0.0009643800000000, -0.0002139800000000, -0.0043649400000000 ] - [ 0.0398990800000000, 0.0720008900000000, 0.0718504600000000 ] - [ -0.0001034700000000, 0.0003834100000000, -0.0065741300000000 ] - [ -0.0002561000000000, 0.0005904000000000, 0.0008368800000000 ] - [ -0.0034100500000000, -0.0003893500000000, -0.0003663400000000 ] - [ -0.0002198600000000, 0.0001355800000000, 0.0002378800000000 ] - [ 0.0011103900000000, 0.0002963500000000, 0.0008633400000000 ] - [ -0.0003481500000000, -0.0005482200000000, 0.0008287500000000 ] - [ 0.0040042800000000, -0.0001805700000000, -0.0023110200000000 ] - [ 0.0001158400000000, -0.0002519300000000, 0.0000813000000000 ] - [ 0.0000101200000000, 0.0003601500000000, 0.0000767600000000 ] - [ 0.0000258200000000, -0.0003338400000000, -0.0001164900000000 ] - [ -0.0006316900000000, 0.0006656500000000, -0.0012834700000000 ] - [ 0.0005424100000000, 0.0001987600000000, 0.0002853200000000 ] - [ 0.0014944700000000, -0.0028879700000000, 0.0046533300000000 ] - [ 0.0003179500000000, -0.0000403200000000, -0.0006806600000000 ] - [ -0.0000182700000000, -0.0000490900000000, -0.0000604100000000 ] - [ 0.0006200300000000, -0.0008064900000000, 0.0004325900000000 ] - [ 0.0006076200000000, 0.0008070400000000, 0.0003901000000000 ] - [ -0.0046416100000000, 0.0010601200000000, -0.0036031700000000 ] - [ 0.0004442600000000, -0.0000155000000000, -0.0001382700000000 ] - [ -0.0000792200000000, 0.0001650200000000, 0.0007129600000000 ] - [ -0.0000052200000000, -0.0000539100000000, -0.0000559900000000 ] - [ 0.0028850400000000, 0.0010398400000000, -0.0017282400000000 ] - [ 0.0003301300000000, 0.0000420900000000, -0.0001879900000000 ] - [ 0.0017108800000000, -0.0005784400000000, -0.0005679900000000 ] - [ 0.0006295100000000, 0.0014998400000000, 0.0053573400000000 ] - [ -0.0004594700000000, 0.0001951000000000, -0.0043048700000000 ] - [ 0.0003603600000000, 0.0001163500000000, -0.0001622000000000 ] - [ -0.0012721200000000, -0.0001661200000000, 0.0006434300000000 ] - [ -0.0000374000000000, 0.0000532400000000, -0.0000403500000000 ] - [ 0.0001625900000000, 0.0000552000000000, -0.0011107200000000 ] - [ -0.0040400500000000, -0.0009299600000000, -0.0007436600000000 ] - [ -0.0012407500000000, -0.0010669700000000, 0.0005810400000000 ] - [ 0.0001361000000000, -0.0000414000000000, 0.0002281700000000 ] - [ -0.0002482400000000, -0.0001127900000000, 0.0005285000000000 ] - [ 0.0002287300000000, 0.0001799300000000, 0.0001800300000000 ] - [ 0.0019063100000000, 0.0015211200000000, 0.0018234300000000 ] - [ 0.0000102400000000, -0.0002534000000000, -0.0001160900000000 ] - [ -0.0000431800000000, 0.0000333700000000, -0.0000490100000000 ] - [ -0.0006637200000000, -0.0008613300000000, 0.0058856200000000 ] - [ -0.0005158000000000, 0.0001802800000000, 0.0003709900000000 ] - [ 0.0005480200000000, 0.0018776400000000, 0.0027429600000000 ] - [ -0.0005189600000000, -0.0001925800000000, 0.0003389200000000 ] - [ -0.0324588100000000, -0.1154144200000000, -0.1319633500000000 ] - [ 0.0007220400000000, -0.0012530300000000, 0.0036540200000000 ] - [ -0.0001384100000000, 0.0000813700000000, 0.0006979500000000 ] - [ -0.0042032700000000, 0.0052868200000000, -0.0143400200000000 ] - [ 0.0000211100000000, -0.0004314700000000, -0.0003699900000000 ] - [ 0.0000733500000000, -0.0002495200000000, 0.0002290200000000 ] - [ 0.0001279700000000, 0.0004001100000000, -0.0000499400000000 ] - [ 0.0110203400000000, 0.0026488900000000, 0.0031997700000000 ] - [ 0.0000868000000000, -0.0004951900000000, 0.0006179300000000 ] - [ -0.0009339900000000, -0.0000362200000000, -0.0007506300000000 ] - [ -0.0013504700000000, 0.0005304200000000, 0.0006829600000000 ] - [ 0.0004930500000000, 0.0003559200000000, -0.0002664000000000 ] - [ 0.0003144500000000, -0.0000809300000000, 0.0003973600000000 ] - [ 0.0000480400000000, -0.0000098500000000, -0.0011623100000000 ] - [ 0.0032706500000000, 0.0200619500000000, 0.0245200000000000 ] - [ 0.0000471100000000, -0.0005035400000000, 0.0003738700000000 ] - [ 0.0004982100000000, -0.0001697500000000, -0.0005076200000000 ] - [ 0.0017425200000000, -0.0000861700000000, 0.0003700400000000 ] - [ -0.0000726700000000, 0.0001998900000000, -0.0000182900000000 ] - [ 0.0012011400000000, -0.0007165300000000, -0.0009566200000000 ] - [ 0.0001214700000000, 0.0000189800000000, 0.0000388300000000 ] - [ -0.0001844800000000, 0.0003480400000000, 0.0007598600000000 ] - [ 0.0000974800000000, -0.0002625700000000, -0.0000604200000000 ] - [ -0.0020945400000000, 0.0001269700000000, 0.0022819300000000 ] - [ 0.0006285000000000, 0.0002239500000000, 0.0005068300000000 ] - [ 0.0001472400000000, -0.0003991900000000, -0.0000617500000000 ] - [ -0.0001625000000000, -0.0003589200000000, 0.0007635300000000 ] - [ -0.0004665500000000, 0.0006273000000000, 0.0003256600000000 ] - [ -0.0011856300000000, -0.0001274400000000, 0.0012290300000000 ] - [ -0.0015248600000000, 0.0009470500000000, 0.0000411200000000 ] - [ -0.0001080800000000, -0.0003221600000000, -0.0003076000000000 ] - [ 0.0000321900000000, 0.0005073400000000, 0.0003461500000000 ] - [ -0.0005906900000000, 0.0002634400000000, -0.0002051600000000 ] - [ -0.0000795300000000, -0.0000846800000000, -0.0002672100000000 ] - [ 0.0012934200000000, 0.0013581600000000, -0.0013205000000000 ] - [ -0.0002154100000000, 0.0001676700000000, 0.0006225700000000 ] - [ -0.0005093000000000, 0.0001357200000000, -0.0003548800000000 ] - [ -0.0002610500000000, -0.0004544800000000, -0.0001490500000000 ] - [ -0.0001929300000000, -0.0001043900000000, -0.0000356500000000 ] - [ 0.0006152700000000, 0.0001648800000000, -0.0014006200000000 ] - [ -0.0016596100000000, 0.0014526800000000, 0.0004539600000000 ] - [ -0.0004193100000000, 0.0000276800000000, -0.0004855900000000 ] - [ 0.0000233600000000, -0.0008159500000000, -0.0011135500000000 ] - [ -0.0002991800000000, -0.0000240800000000, 0.0003556000000000 ] - [ 0.0002410500000000, 0.0000240300000000, 0.0001736300000000 ] - [ 0.0012085500000000, -0.0003161200000000, 0.0025707700000000 ] - [ -0.0000393400000000, 0.0000637400000000, -0.0004752000000000 ] - [ -0.0036971100000000, 0.0020101500000000, -0.0031509700000000 ] - [ 0.0003354800000000, -0.0006561800000000, 0.0003951100000000 ] - [ 0.0003402400000000, 0.0006454200000000, 0.0004179700000000 ] - [ -0.0000038000000000, 0.0000630200000000, -0.0001276800000000 ] - [ -0.0000414600000000, -0.0000581100000000, -0.0004944200000000 ] - [ 0.0002953400000000, -0.0001928600000000, -0.0004516700000000 ] - [ 0.0017862500000000, 0.0009298900000000, 0.0004529300000000 ] - [ 0.0008228200000000, 0.0007641700000000, 0.0022088100000000 ] - [ 0.0000989900000000, -0.0000246200000000, -0.0000737600000000 ] - [ -0.0005212200000000, -0.0001347500000000, -0.0003402900000000 ] - [ 0.0002403600000000, 0.0001241500000000, -0.0003454500000000 ] - [ -0.0003140600000000, -0.0000250700000000, -0.0002583000000000 ] - [ -0.0004939600000000, 0.0001227700000000, -0.0005441500000000 ] - [ 0.0000579100000000, 0.0001429800000000, 0.0004612800000000 ] - [ 0.0000839300000000, -0.0000241900000000, -0.0003039100000000 ] - [ 0.0002468400000000, -0.0000238800000000, 0.0001605900000000 ] - [ -0.0007682700000000, 0.0003820100000000, 0.0045742800000000 ] - [ 0.0003608700000000, -0.0001357000000000, -0.0003716000000000 ] - [ 0.0000657500000000, -0.0001653600000000, -0.0003525200000000 ] - [ -0.0002151900000000, -0.0002503400000000, 0.0010809200000000 ] - [ -0.0002884400000000, 0.0004721700000000, -0.0001764700000000 ] - [ 0.0002851100000000, 0.0000476900000000, -0.0000625600000000 ] - [ 0.0022926200000000, 0.0019148600000000, 0.0034051400000000 ] - [ -0.0001408000000000, -0.0003235700000000, -0.0000855900000000 ] - [ -0.0004112800000000, -0.0000269700000000, -0.0004825000000000 ] - [ 0.0001909900000000, -0.0000453500000000, -0.0002574200000000 ] - [ -0.0124833100000000, -0.0077051700000000, 0.0090112900000000 ] - [ -0.0031796300000000, 0.0015946500000000, 0.0039511300000000 ] - [ -0.0002529400000000, 0.0005777800000000, 0.0003542700000000 ] - [ 0.0001414200000000, 0.0000203100000000, -0.0000379400000000 ] - [ 0.0002098300000000, 0.0000357800000000, -0.0002698300000000 ] - [ 0.0007673800000000, -0.0005756900000000, -0.0000296300000000 ] - [ 0.0064740800000000, -0.0007989400000000, 0.0029477100000000 ] - [ -0.0001255900000000, 0.0001271200000000, -0.0000057000000000 ] - [ 0.0003266600000000, -0.0001022400000000, -0.0006247100000000 ] - [ -0.0003385300000000, 0.0000142300000000, -0.0002932500000000 ] - [ -0.0009521100000000, 0.0004000500000000, 0.0031707500000000 ]- atom: 61 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0005739200000000, 0.0002604600000000, -0.0012551200000000 ] - [ -0.0000293000000000, -0.0011790800000000, -0.0023602200000000 ] - [ 0.0001381100000000, -0.0001046500000000, 0.0003773700000000 ] - [ -0.0004146800000000, 0.0002396200000000, 0.0015121000000000 ] - [ 0.0000083400000000, 0.0001169900000000, -0.0003200800000000 ] - [ -0.0003380400000000, -0.0002597000000000, 0.0001560800000000 ] - [ -0.0000240400000000, -0.0001199300000000, -0.0002768400000000 ] - [ -0.0003376200000000, 0.0002576900000000, 0.0001780700000000 ] - [ -0.0012508800000000, 0.0001748800000000, 0.0002172900000000 ] - [ 0.0015611700000000, -0.0001306800000000, -0.0009411300000000 ] - [ 0.0020191000000000, -0.0136461900000000, -0.0262728600000000 ] - [ 0.0008871700000000, 0.0011919300000000, 0.0108659100000000 ] - [ 0.0002941200000000, 0.0002312800000000, -0.0001455300000000 ] - [ -0.0000381000000000, -0.0000744500000000, -0.0005616000000000 ] - [ -0.0000777500000000, 0.0002550200000000, 0.0000864700000000 ] - [ -0.0000655900000000, -0.0002520500000000, 0.0001150000000000 ] - [ 0.0009268800000000, 0.0001117100000000, 0.0042293500000000 ] - [ -0.0397374500000000, -0.0758264400000000, -0.0712985600000000 ] - [ 0.0013743400000000, 0.0012301900000000, 0.0073389400000000 ] - [ -0.0003126800000000, 0.0005583500000000, 0.0008303000000000 ] - [ 0.0042241900000000, 0.0003382400000000, 0.0000472200000000 ] - [ 0.0003270700000000, 0.0000319600000000, -0.0007017800000000 ] - [ -0.0007018000000000, -0.0004549800000000, -0.0010584000000000 ] - [ -0.0002216300000000, -0.0005999900000000, 0.0008378000000000 ] - [ -0.0031564300000000, 0.0002271200000000, 0.0019616800000000 ] - [ 0.0005794000000000, -0.0001890500000000, 0.0002965200000000 ] - [ 0.0000587700000000, 0.0003339600000000, -0.0001208100000000 ] - [ 0.0000429700000000, -0.0003598900000000, 0.0000715300000000 ] - [ 0.0010271700000000, -0.0005019400000000, 0.0010741100000000 ] - [ 0.0001560300000000, 0.0002417500000000, 0.0000935500000000 ] - [ -0.0013592800000000, 0.0030964700000000, -0.0048230400000000 ] - [ -0.0002070300000000, -0.0001266000000000, 0.0002097200000000 ] - [ -0.0000057800000000, -0.0000512300000000, -0.0000373600000000 ] - [ 0.0006385900000000, -0.0008089300000000, 0.0003947500000000 ] - [ 0.0006505600000000, 0.0008083100000000, 0.0004369500000000 ] - [ 0.0040287400000000, 0.0000692000000000, 0.0052188300000000 ] - [ 0.0003833700000000, -0.0000343200000000, -0.0001904500000000 ] - [ 0.0001842700000000, 0.0000044200000000, -0.0011723300000000 ] - [ 0.0004043000000000, -0.0001064400000000, -0.0001462200000000 ] - [ -0.0034793000000000, -0.0022248100000000, 0.0034234200000000 ] - [ 0.0004964600000000, 0.0000079700000000, -0.0001413100000000 ] - [ -0.0010028500000000, 0.0001362700000000, 0.0009439800000000 ] - [ -0.0005833700000000, -0.0008018900000000, -0.0053668400000000 ] - [ 0.0005311100000000, -0.0008852100000000, 0.0042246300000000 ] - [ 0.0000429800000000, 0.0000440900000000, -0.0000388900000000 ] - [ 0.0019555400000000, 0.0006043200000000, -0.0002656800000000 ] - [ 0.0000127900000000, 0.0000473700000000, -0.0000574800000000 ] - [ -0.0000502000000000, -0.0002202800000000, 0.0006355200000000 ] - [ 0.0029944600000000, 0.0012049100000000, 0.0000497100000000 ] - [ 0.0006673800000000, 0.0001280200000000, -0.0008962000000000 ] - [ -0.0004631600000000, -0.0001929400000000, -0.0002709800000000 ] - [ -0.0002260800000000, -0.0001615700000000, 0.0006206300000000 ] - [ 0.0000479800000000, 0.0002618000000000, 0.0002357500000000 ] - [ -0.0027131400000000, -0.0014407200000000, -0.0027791100000000 ] - [ -0.0000889500000000, -0.0001919200000000, -0.0000108500000000 ] - [ -0.0000868000000000, 0.0000899000000000, -0.0002674900000000 ] - [ 0.0011297600000000, 0.0008947200000000, -0.0054829400000000 ] - [ -0.0005409900000000, 0.0001977800000000, 0.0003335100000000 ] - [ -0.0006380100000000, -0.0017510200000000, -0.0036914800000000 ] - [ -0.0005381300000000, -0.0001851700000000, 0.0003654800000000 ] - [ 0.0342180300000000, 0.1154491400000000, 0.1323810600000000 ] - [ -0.0000566500000000, 0.0025430400000000, -0.0028144800000000 ] - [ 0.0002045700000000, 0.0000059800000000, -0.0011199300000000 ] - [ 0.0041041100000000, -0.0051913600000000, 0.0132965100000000 ] - [ 0.0003122700000000, 0.0000716300000000, 0.0003782300000000 ] - [ 0.0002023200000000, -0.0001926500000000, 0.0001871800000000 ] - [ 0.0001345100000000, 0.0004018700000000, -0.0000602300000000 ] - [ -0.0106995300000000, -0.0026747200000000, -0.0033163500000000 ] - [ -0.0011230200000000, 0.0002228100000000, -0.0013047400000000 ] - [ 0.0012089700000000, 0.0003196300000000, 0.0000405400000000 ] - [ 0.0006697800000000, -0.0005583900000000, -0.0012235900000000 ] - [ -0.0001605900000000, 0.0003105000000000, -0.0003260200000000 ] - [ 0.0000212000000000, 0.0004373300000000, -0.0003832100000000 ] - [ 0.0000185400000000, -0.0000763100000000, 0.0007265300000000 ] - [ -0.0027794000000000, -0.0205617400000000, -0.0246834900000000 ] - [ 0.0000177400000000, -0.0005130400000000, 0.0003483900000000 ] - [ 0.0001256300000000, -0.0000086100000000, 0.0000779100000000 ] - [ -0.0014506800000000, -0.0001982300000000, -0.0010729000000000 ] - [ -0.0000066400000000, 0.0002447500000000, -0.0001080600000000 ] - [ -0.0017539200000000, 0.0016405800000000, 0.0006282700000000 ] - [ 0.0004998100000000, 0.0001584200000000, -0.0004644500000000 ] - [ -0.0001824200000000, 0.0003503400000000, 0.0007614900000000 ] - [ -0.0004937800000000, -0.0006541000000000, 0.0003331600000000 ] - [ 0.0012406600000000, -0.0002024100000000, -0.0032371600000000 ] - [ -0.0002349500000000, -0.0003057600000000, -0.0010244700000000 ] - [ 0.0001154600000000, -0.0004027700000000, -0.0000484600000000 ] - [ -0.0002041000000000, -0.0003397200000000, 0.0007576700000000 ] - [ 0.0000655700000000, 0.0002920600000000, -0.0000501200000000 ] - [ 0.0013960000000000, 0.0001716600000000, -0.0013391400000000 ] - [ 0.0018817300000000, -0.0008617100000000, -0.0005571900000000 ] - [ 0.0004363500000000, -0.0003442900000000, -0.0002845700000000 ] - [ 0.0000325500000000, 0.0005094900000000, 0.0003755100000000 ] - [ 0.0002562300000000, -0.0000268300000000, 0.0001596600000000 ] - [ -0.0000507500000000, -0.0000388200000000, -0.0000506200000000 ] - [ -0.0019516300000000, -0.0013133800000000, 0.0007621600000000 ] - [ -0.0002586700000000, 0.0001068800000000, 0.0005270100000000 ] - [ -0.0005339200000000, 0.0001330900000000, -0.0003390200000000 ] - [ -0.0003068800000000, -0.0004816900000000, -0.0001721000000000 ] - [ -0.0001369100000000, -0.0001304700000000, -0.0000089200000000 ] - [ -0.0010791300000000, -0.0004346500000000, 0.0025367800000000 ] - [ 0.0019209600000000, -0.0009995400000000, -0.0000376900000000 ] - [ -0.0004248900000000, 0.0000253300000000, -0.0004878000000000 ] - [ -0.0000968300000000, 0.0003646400000000, 0.0009767600000000 ] - [ 0.0001665600000000, 0.0001476900000000, -0.0006699700000000 ] - [ 0.0002357000000000, 0.0000261700000000, 0.0001630300000000 ] - [ -0.0022606000000000, 0.0006890600000000, -0.0018468600000000 ] - [ -0.0000563300000000, 0.0000535400000000, -0.0004951200000000 ] - [ 0.0026341200000000, -0.0023810100000000, 0.0038096800000000 ] - [ 0.0003287900000000, -0.0006483600000000, 0.0004179000000000 ] - [ 0.0003242100000000, 0.0006590600000000, 0.0003950100000000 ] - [ 0.0000706500000000, 0.0000241800000000, -0.0003008000000000 ] - [ -0.0000541600000000, -0.0000589800000000, -0.0004761500000000 ] - [ 0.0000409600000000, -0.0001653200000000, 0.0004594700000000 ] - [ -0.0014980000000000, -0.0013638000000000, -0.0000335900000000 ] - [ -0.0005648500000000, 0.0000492800000000, -0.0022994300000000 ] - [ 0.0001117700000000, -0.0000208000000000, -0.0000468300000000 ] - [ -0.0005221500000000, -0.0001339800000000, -0.0003539900000000 ] - [ 0.0000428400000000, 0.0001603300000000, -0.0003615900000000 ] - [ -0.0003594000000000, -0.0000063000000000, -0.0002904200000000 ] - [ 0.0008176900000000, 0.0005412500000000, -0.0000514500000000 ] - [ 0.0002750600000000, 0.0002151300000000, -0.0004464900000000 ] - [ -0.0000164100000000, -0.0000624600000000, -0.0001253700000000 ] - [ 0.0002300600000000, -0.0000261500000000, 0.0001760100000000 ] - [ 0.0008235800000000, -0.0013937400000000, -0.0038240200000000 ] - [ 0.0002627400000000, -0.0000427300000000, -0.0000571500000000 ] - [ 0.0002150400000000, -0.0001193400000000, -0.0003551800000000 ] - [ 0.0001307400000000, 0.0006892000000000, -0.0011949800000000 ] - [ -0.0002796200000000, 0.0004640500000000, -0.0001450000000000 ] - [ 0.0003365200000000, 0.0001294900000000, -0.0003636700000000 ] - [ -0.0026479000000000, -0.0011957300000000, -0.0018374800000000 ] - [ -0.0002565900000000, -0.0005934000000000, 0.0003575300000000 ] - [ -0.0004330200000000, -0.0000257300000000, -0.0004908200000000 ] - [ 0.0001951900000000, -0.0000418400000000, -0.0002658600000000 ] - [ 0.0125873400000000, 0.0068445700000000, -0.0090582000000000 ] - [ 0.0027784400000000, -0.0022632900000000, -0.0023936900000000 ] - [ -0.0001468100000000, 0.0003414700000000, -0.0000778300000000 ] - [ 0.0000702900000000, 0.0000256300000000, -0.0000828300000000 ] - [ 0.0001763800000000, 0.0000512500000000, -0.0002539200000000 ] - [ -0.0004319700000000, -0.0000932500000000, -0.0005595400000000 ] - [ -0.0064318400000000, 0.0017815800000000, -0.0022030300000000 ] - [ -0.0002042100000000, 0.0001082400000000, -0.0000383400000000 ] - [ -0.0004533400000000, -0.0000201600000000, 0.0003063900000000 ] - [ -0.0003350400000000, 0.0000171700000000, -0.0002559200000000 ] - [ 0.0004697000000000, -0.0001246000000000, -0.0020002500000000 ]- atom: 63 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0009084900000000, 0.0001069700000000, 0.0001197100000000 ] - [ 0.0000314000000000, -0.0001973800000000, 0.0003356500000000 ] - [ 0.0016354800000000, -0.0003461000000000, -0.0015523900000000 ] - [ -0.0028287900000000, 0.0004745400000000, 0.0010264500000000 ] - [ -0.0003468400000000, 0.0001232700000000, -0.0003025700000000 ] - [ -0.0006047100000000, -0.0002778700000000, 0.0001297500000000 ] - [ -0.0003537700000000, -0.0001236200000000, -0.0003079900000000 ] - [ -0.0006156200000000, 0.0002794400000000, 0.0001128800000000 ] - [ 0.0097883200000000, 0.0027792500000000, 0.0103310500000000 ] - [ 0.0037755800000000, 0.0006615200000000, 0.0019607000000000 ] - [ -0.0003955100000000, 0.0000307700000000, -0.0003156900000000 ] - [ -0.0016908600000000, -0.0003826000000000, 0.0003873600000000 ] - [ -0.0009751600000000, 0.0000723300000000, -0.0003782900000000 ] - [ -0.0009778900000000, -0.0000716300000000, -0.0003806500000000 ] - [ -0.0012250900000000, 0.0002923900000000, 0.0002159600000000 ] - [ -0.0012245100000000, -0.0003372900000000, -0.0000278700000000 ] - [ -0.0012503700000000, -0.0004338400000000, -0.0010816100000000 ] - [ -0.0000033400000000, -0.0006975100000000, 0.0005769900000000 ] - [ -0.0005059800000000, 0.0006873400000000, 0.0000786300000000 ] - [ -0.0008550700000000, 0.0005394400000000, 0.0006317800000000 ] - [ 0.0045959000000000, 0.0010342400000000, -0.0028816400000000 ] - [ -0.0007164000000000, -0.0020053200000000, 0.0032020900000000 ] - [ 0.0044271500000000, 0.0009826000000000, 0.0015173300000000 ] - [ -0.0015550900000000, -0.0002535300000000, 0.0010146600000000 ] - [ 0.0007478300000000, -0.0001852900000000, 0.0011597000000000 ] - [ -0.0018499800000000, 0.0005523500000000, 0.0018904500000000 ] - [ -0.0006296700000000, 0.0004153700000000, 0.0005989300000000 ] - [ -0.0013339400000000, -0.0004829600000000, -0.0004956000000000 ] - [ 0.1180163700000000, 0.0015727900000000, -0.1259589700000000 ] - [ 0.0008111600000000, -0.0001943600000000, 0.0000692900000000 ] - [ -0.0004488100000000, 0.0001920600000000, 0.0008001600000000 ] - [ -0.0016189800000000, 0.0027342500000000, -0.0053136700000000 ] - [ -0.0008626300000000, -0.0001063200000000, -0.0001042000000000 ] - [ -0.0000725100000000, -0.0007389700000000, 0.0003935200000000 ] - [ -0.0002837400000000, 0.0007489000000000, 0.0002256500000000 ] - [ -0.0012387400000000, 0.0003539100000000, 0.0009510400000000 ] - [ -0.0009579800000000, -0.0001998100000000, -0.0000927200000000 ] - [ -0.0008296600000000, 0.0001971800000000, -0.0002401000000000 ] - [ -0.0006621400000000, -0.0003245700000000, -0.0002482700000000 ] - [ -0.0011794400000000, -0.0003397700000000, 0.0006642700000000 ] - [ -0.0009419900000000, 0.0002016200000000, -0.0001199400000000 ] - [ -0.0005889500000000, -0.0002468200000000, 0.0003125800000000 ] - [ -0.0008145500000000, 0.0003863700000000, 0.0001731900000000 ] - [ -0.0009629700000000, -0.0003666000000000, 0.0001624000000000 ] - [ -0.0006728800000000, 0.0003264800000000, -0.0002617200000000 ] - [ -0.0005763400000000, 0.0002405300000000, 0.0003649900000000 ] - [ -0.0007938000000000, 0.0001011700000000, -0.0001045400000000 ] - [ -0.0008630700000000, -0.0002125600000000, -0.0002328800000000 ] - [ -0.0007591900000000, 0.0000977400000000, -0.0010779400000000 ] - [ 0.0025618900000000, 0.0028325300000000, -0.0076606200000000 ] - [ -0.0092460100000000, -0.0006879500000000, 0.0027091200000000 ] - [ -0.0001202400000000, -0.0000992500000000, 0.0003617200000000 ] - [ 0.0010781300000000, -0.0005216800000000, -0.0004163800000000 ] - [ -0.0002901200000000, 0.0008061800000000, 0.0008411800000000 ] - [ 0.0003250900000000, -0.0003267400000000, -0.0005329100000000 ] - [ 0.0006438400000000, -0.0002460900000000, -0.0000815400000000 ] - [ 0.0006022100000000, -0.0001584600000000, 0.0003929100000000 ] - [ 0.0002287800000000, -0.0000589300000000, 0.0006679600000000 ] - [ 0.0006147700000000, 0.0002516900000000, -0.0004549500000000 ] - [ -0.0000750100000000, -0.0001196900000000, 0.0003683900000000 ] - [ 0.0004173900000000, -0.0007221500000000, 0.0002334200000000 ] - [ 0.0008018800000000, 0.0005109300000000, 0.0004287600000000 ] - [ -0.1168000000000000, -0.0131582600000000, 0.1148136000000000 ] - [ 0.0002114800000000, -0.0001371100000000, -0.0005351400000000 ] - [ -0.0005243200000000, -0.0009431400000000, -0.0017984400000000 ] - [ 0.0000990500000000, -0.0001909000000000, 0.0004324800000000 ] - [ 0.0003692200000000, 0.0003478800000000, -0.0000296900000000 ] - [ -0.0012264400000000, -0.0000689300000000, -0.0005440400000000 ] - [ 0.0007083800000000, -0.0009075100000000, 0.0008620000000000 ] - [ -0.0024076000000000, -0.0005864200000000, -0.0020514200000000 ] - [ 0.0005408900000000, -0.0023699400000000, -0.0032541400000000 ] - [ 0.0005984800000000, 0.0017932900000000, -0.0017587800000000 ] - [ 0.0053623000000000, -0.0037070800000000, -0.0005618900000000 ] - [ -0.0009063300000000, 0.0001043400000000, -0.0012974100000000 ] - [ 0.0005774700000000, 0.0000004200000000, -0.0001467100000000 ] - [ 0.0004910100000000, -0.0003267800000000, 0.0002876900000000 ] - [ -0.0007787200000000, 0.0004660800000000, -0.0008898100000000 ] - [ -0.0120960200000000, -0.0005394500000000, 0.0084620300000000 ] - [ 0.0004888200000000, 0.0004516300000000, 0.0001577200000000 ] - [ -0.0019870300000000, 0.0013719900000000, 0.0000510700000000 ] - [ 0.0017351300000000, 0.0076481800000000, 0.0033026400000000 ] - [ 0.0002343600000000, 0.0005220200000000, 0.0008702800000000 ] - [ 0.0005488500000000, -0.0000356800000000, -0.0038875300000000 ] - [ 0.0001645300000000, 0.0002239700000000, -0.0009459000000000 ] - [ 0.0011517000000000, 0.0001698900000000, 0.0014158400000000 ] - [ 0.0005324600000000, -0.0002684600000000, -0.0001964100000000 ] - [ 0.0004470600000000, -0.0006236500000000, 0.0008133800000000 ] - [ -0.0009286300000000, 0.0013617900000000, 0.0044239800000000 ] - [ 0.0015085600000000, 0.0001790600000000, -0.0000595600000000 ] - [ 0.0006100700000000, -0.0005648000000000, -0.0011772300000000 ] - [ -0.0014631700000000, -0.0004742800000000, 0.0000276800000000 ] - [ 0.0003173800000000, 0.0003518700000000, 0.0003414600000000 ] - [ -0.0015298800000000, 0.0011028600000000, -0.0012197900000000 ] - [ -0.0001516700000000, -0.0000099700000000, -0.0003861600000000 ] - [ -0.0020597400000000, -0.0008013600000000, -0.0001520900000000 ] - [ 0.0003153700000000, 0.0004286600000000, 0.0007301100000000 ] - [ -0.0001916600000000, 0.0001978800000000, -0.0003603100000000 ] - [ 0.0002097900000000, -0.0001999600000000, -0.0002702500000000 ] - [ 0.0001050900000000, -0.0001116200000000, -0.0000030800000000 ] - [ 0.0000247000000000, -0.0002411900000000, 0.0005226100000000 ] - [ 0.0006949400000000, -0.0000895600000000, 0.0000441300000000 ] - [ -0.0000430000000000, 0.0000740900000000, -0.0003649700000000 ] - [ 0.0004762300000000, -0.0005097600000000, -0.0002238800000000 ] - [ 0.0002048100000000, -0.0000300200000000, -0.0001890900000000 ] - [ 0.0005666100000000, -0.0000524300000000, 0.0001057200000000 ] - [ 0.0001791400000000, 0.0000229000000000, 0.0005145000000000 ] - [ 0.0003923600000000, 0.0002011900000000, -0.0004433500000000 ] - [ -0.0000349200000000, -0.0000285400000000, 0.0004975800000000 ] - [ 0.0006279300000000, -0.0005822400000000, 0.0003720400000000 ] - [ 0.0006573200000000, 0.0005479400000000, 0.0004601200000000 ] - [ 0.0003219700000000, 0.0000498600000000, -0.0002590000000000 ] - [ 0.0003238300000000, -0.0001689300000000, -0.0004930500000000 ] - [ 0.0005423900000000, -0.0000026400000000, 0.0000091000000000 ] - [ 0.0007005200000000, 0.0000895500000000, 0.0000157400000000 ] - [ 0.0005224300000000, 0.0002633900000000, -0.0001877600000000 ] - [ 0.0008784900000000, -0.0000168300000000, 0.0001519200000000 ] - [ -0.0001741900000000, -0.0002001600000000, -0.0003631600000000 ] - [ 0.0007707800000000, 0.0001725100000000, -0.0001638400000000 ] - [ 0.0001797600000000, -0.0002295900000000, -0.0003389800000000 ] - [ 0.0007431000000000, 0.0005149400000000, -0.0001120200000000 ] - [ 0.0005506200000000, 0.0000005800000000, 0.0000137400000000 ] - [ 0.0003195600000000, -0.0000491200000000, -0.0002635000000000 ] - [ 0.0005223400000000, 0.0000424800000000, 0.0001186400000000 ] - [ 0.0004671500000000, -0.0002713500000000, 0.0004049400000000 ] - [ 0.0007800800000000, -0.0002496000000000, -0.0001800900000000 ] - [ 0.0007768900000000, -0.0001746100000000, -0.0001611000000000 ] - [ 0.0005304500000000, 0.0005383500000000, -0.0002554000000000 ] - [ 0.0002118400000000, 0.0001980900000000, -0.0002762500000000 ] - [ 0.0007896000000000, 0.0002531000000000, -0.0001802700000000 ] - [ 0.0003611100000000, 0.0005742100000000, 0.0007364900000000 ] - [ 0.0001632400000000, -0.0003649100000000, 0.0000431000000000 ] - [ -0.0000688000000000, -0.0000779300000000, -0.0003461100000000 ] - [ 0.0005906400000000, 0.0001244000000000, -0.0003566600000000 ] - [ 0.0003861100000000, -0.0003833500000000, -0.0000398100000000 ] - [ 0.0003338000000000, -0.0005512700000000, 0.0009866500000000 ] - [ 0.0001695400000000, 0.0003634000000000, 0.0000374000000000 ] - [ 0.0008861400000000, 0.0000161200000000, 0.0001719900000000 ] - [ 0.0005701800000000, -0.0001170200000000, -0.0003499600000000 ] - [ 0.0007350800000000, -0.0005072400000000, -0.0001243900000000 ] - [ 0.0003524300000000, 0.0004174600000000, 0.0002047600000000 ] - [ 0.0001007700000000, 0.0001136200000000, -0.0000069000000000 ] - [ 0.0001927100000000, 0.0000148900000000, -0.0002119000000000 ] - [ 0.0001831800000000, 0.0002313300000000, -0.0003479000000000 ] - [ 0.0000505900000000, 0.0002568900000000, 0.0005769600000000 ]- atom: 63 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0009382800000000, 0.0001300400000000, -0.0007123400000000 ] - [ -0.0007173900000000, -0.0003208700000000, 0.0000001400000000 ] - [ -0.0016971400000000, 0.0000714400000000, 0.0009362400000000 ] - [ 0.0021412100000000, 0.0000456600000000, -0.0007065900000000 ] - [ 0.0003173600000000, 0.0001135200000000, -0.0002948100000000 ] - [ -0.0000805700000000, -0.0002407500000000, 0.0002025200000000 ] - [ 0.0003244600000000, -0.0001136500000000, -0.0002896000000000 ] - [ -0.0000697200000000, 0.0002387600000000, 0.0002191900000000 ] - [ -0.0096994100000000, -0.0025211100000000, -0.0110886700000000 ] - [ -0.0035501100000000, -0.0009569500000000, -0.0026560400000000 ] - [ 0.0002132900000000, 0.0004796400000000, 0.0005199000000000 ] - [ 0.0014977500000000, -0.0001269000000000, -0.0001921200000000 ] - [ 0.0011945100000000, 0.0002318700000000, -0.0003209600000000 ] - [ 0.0011975600000000, -0.0002319500000000, -0.0003184200000000 ] - [ 0.0010389200000000, 0.0002165400000000, -0.0000156900000000 ] - [ 0.0010395100000000, -0.0001720500000000, 0.0002265700000000 ] - [ 0.0012267800000000, 0.0003402200000000, 0.0009814200000000 ] - [ 0.0012609800000000, -0.0009186300000000, 0.0002537500000000 ] - [ 0.0017678400000000, 0.0009300700000000, 0.0007462400000000 ] - [ 0.0002872700000000, 0.0006125700000000, 0.0010335700000000 ] - [ -0.0037704900000000, -0.0010851800000000, 0.0025776500000000 ] - [ 0.0008179900000000, 0.0021571600000000, -0.0036337400000000 ] - [ -0.0039994200000000, -0.0011430600000000, -0.0016955400000000 ] - [ 0.0009790000000000, -0.0008961800000000, 0.0006498600000000 ] - [ 0.0000244000000000, 0.0002101500000000, -0.0014517900000000 ] - [ 0.0025286200000000, -0.0009721300000000, -0.0014978700000000 ] - [ 0.0006981900000000, 0.0002758300000000, -0.0006362700000000 ] - [ 0.0014019400000000, -0.0002065600000000, 0.0004407800000000 ] - [ -0.1159489000000000, -0.0011874900000000, 0.1214343000000000 ] - [ -0.0001041600000000, 0.0006292300000000, 0.0003150100000000 ] - [ 0.0004177400000000, -0.0000923000000000, -0.0008920500000000 ] - [ 0.0017859100000000, -0.0028765900000000, 0.0047675600000000 ] - [ 0.0008391400000000, 0.0000057000000000, 0.0000083600000000 ] - [ 0.0013325200000000, -0.0008777400000000, 0.0004356700000000 ] - [ 0.0015421300000000, 0.0008676400000000, 0.0006011300000000 ] - [ 0.0006657700000000, 0.0007959500000000, 0.0007134100000000 ] - [ 0.0017868300000000, 0.0001495600000000, -0.0002379800000000 ] - [ 0.0009387000000000, -0.0000275900000000, -0.0002260700000000 ] - [ 0.0010621000000000, 0.0001639500000000, 0.0000468200000000 ] - [ 0.0006095100000000, -0.0008117500000000, 0.0010011700000000 ] - [ 0.0017710000000000, -0.0001512200000000, -0.0002106800000000 ] - [ 0.0012833700000000, -0.0001890600000000, 0.0000655200000000 ] - [ 0.0008834200000000, 0.0003035300000000, -0.0002158200000000 ] - [ 0.0010318500000000, -0.0003228300000000, -0.0002066000000000 ] - [ 0.0010731000000000, -0.0001660000000000, 0.0000604600000000 ] - [ 0.0012700800000000, 0.0001954700000000, 0.0000131600000000 ] - [ 0.0007707300000000, -0.0000004400000000, 0.0000088200000000 ] - [ 0.0009723300000000, 0.0000431200000000, -0.0002339500000000 ] - [ -0.0002802600000000, 0.0001755200000000, 0.0003796200000000 ] - [ -0.0030979500000000, -0.0037454100000000, 0.0073729400000000 ] - [ 0.0087957800000000, 0.0004011800000000, -0.0026289400000000 ] - [ -0.0003553800000000, -0.0001705500000000, 0.0007801900000000 ] - [ -0.0007932700000000, 0.0009558700000000, 0.0008254800000000 ] - [ -0.0005543500000000, -0.0007572600000000, -0.0018232900000000 ] - [ -0.0004047500000000, -0.0001164700000000, 0.0004054800000000 ] - [ -0.0007720700000000, 0.0003562000000000, -0.0002229000000000 ] - [ -0.0001254000000000, 0.0002079300000000, -0.0000530700000000 ] - [ -0.0012853500000000, 0.0004326800000000, 0.0000382500000000 ] - [ -0.0007098900000000, -0.0001351100000000, -0.0005148300000000 ] - [ -0.0009818900000000, -0.0002547300000000, 0.0003356300000000 ] - [ 0.0002489000000000, -0.0005820500000000, 0.0005756100000000 ] - [ -0.0001356100000000, 0.0007911100000000, 0.0003864100000000 ] - [ 0.1155291400000000, 0.0130528900000000, -0.1109813400000000 ] - [ -0.0003042700000000, 0.0000204600000000, -0.0004408800000000 ] - [ 0.0008544000000000, 0.0005769100000000, 0.0017901300000000 ] - [ 0.0001772200000000, -0.0002500600000000, -0.0000188200000000 ] - [ -0.0001084900000000, 0.0004541300000000, -0.0000840200000000 ] - [ 0.0014381000000000, 0.0000207900000000, 0.0004154400000000 ] - [ -0.0017572800000000, 0.0006418700000000, -0.0015555600000000 ] - [ 0.0026792200000000, 0.0008461200000000, 0.0013221400000000 ] - [ -0.0012054300000000, 0.0023407200000000, 0.0027124900000000 ] - [ -0.0002657800000000, -0.0011119200000000, 0.0011578100000000 ] - [ -0.0049076800000000, 0.0039617300000000, 0.0005660600000000 ] - [ 0.0009699300000000, -0.0001889400000000, 0.0008527800000000 ] - [ -0.0000955900000000, -0.0000474500000000, 0.0004837100000000 ] - [ -0.0004257900000000, -0.0006877500000000, 0.0004385800000000 ] - [ 0.0013946800000000, -0.0006378700000000, 0.0004528700000000 ] - [ 0.0122348900000000, 0.0003405500000000, -0.0091349900000000 ] - [ -0.0005779000000000, -0.0000160600000000, -0.0002750200000000 ] - [ 0.0014213600000000, -0.0004366500000000, -0.0003767400000000 ] - [ -0.0011743600000000, -0.0073909100000000, -0.0036965900000000 ] - [ -0.0006013800000000, 0.0001765000000000, 0.0006555200000000 ] - [ -0.0009333700000000, -0.0008955400000000, 0.0041084000000000 ] - [ -0.0010023900000000, -0.0002775000000000, -0.0000284400000000 ] - [ -0.0007767400000000, -0.0002628300000000, -0.0019451600000000 ] - [ -0.0002701000000000, -0.0005329300000000, 0.0000819900000000 ] - [ -0.0008115400000000, -0.0000760400000000, 0.0007124000000000 ] - [ 0.0004980200000000, -0.0004309200000000, -0.0041299200000000 ] - [ -0.0012842400000000, -0.0001323200000000, -0.0000591700000000 ] - [ -0.0002210500000000, 0.0006519600000000, 0.0006511400000000 ] - [ 0.0017799100000000, -0.0001896900000000, -0.0006259300000000 ] - [ -0.0002532300000000, 0.0006634800000000, 0.0003822300000000 ] - [ 0.0011876900000000, -0.0008449800000000, 0.0011554000000000 ] - [ 0.0000199300000000, -0.0001122700000000, 0.0000670400000000 ] - [ 0.0013913300000000, 0.0008342900000000, -0.0004028200000000 ] - [ -0.0007872500000000, -0.0001547400000000, 0.0004187200000000 ] - [ -0.0008518900000000, 0.0000719100000000, -0.0003334100000000 ] - [ -0.0007787000000000, -0.0007370300000000, -0.0000512800000000 ] - [ -0.0004349600000000, -0.0001238200000000, -0.0000389400000000 ] - [ -0.0004991700000000, -0.0000301900000000, 0.0006219200000000 ] - [ -0.0004153800000000, 0.0005292800000000, 0.0003680500000000 ] - [ -0.0007988900000000, -0.0000198000000000, -0.0006096900000000 ] - [ -0.0005577600000000, 0.0000669300000000, 0.0000996700000000 ] - [ -0.0003349600000000, 0.0001510900000000, -0.0001244700000000 ] - [ -0.0000867500000000, 0.0001002400000000, 0.0002327500000000 ] - [ -0.0012353400000000, 0.0003515800000000, 0.0001912400000000 ] - [ -0.0004857400000000, -0.0000840500000000, -0.0005297900000000 ] - [ -0.0010218100000000, -0.0003451700000000, 0.0002067800000000 ] - [ 0.0000380100000000, -0.0007211500000000, 0.0004391400000000 ] - [ 0.0000089200000000, 0.0007552700000000, 0.0003515800000000 ] - [ -0.0002570700000000, 0.0000366800000000, -0.0001725100000000 ] - [ -0.0004173000000000, 0.0000522300000000, -0.0004805500000000 ] - [ -0.0002072400000000, -0.0003569200000000, -0.0000002100000000 ] - [ -0.0004201400000000, -0.0005284500000000, 0.0003966900000000 ] - [ -0.0002606500000000, 0.0005383800000000, 0.0000744900000000 ] - [ -0.0006649300000000, -0.0000304500000000, -0.0002749600000000 ] - [ -0.0008692600000000, -0.0000694900000000, -0.0003310700000000 ] - [ -0.0004899400000000, 0.0001128600000000, -0.0005431800000000 ] - [ -0.0008556200000000, 0.0001991000000000, -0.0002107000000000 ] - [ -0.0004130200000000, 0.0001487600000000, -0.0004813200000000 ] - [ -0.0002157300000000, 0.0003594900000000, -0.0000045000000000 ] - [ -0.0002548400000000, -0.0000369400000000, -0.0001675100000000 ] - [ -0.0000425400000000, -0.0000901000000000, 0.0002196300000000 ] - [ -0.0004026500000000, -0.0007439300000000, 0.0003202500000000 ] - [ -0.0001566700000000, 0.0000722700000000, -0.0002515800000000 ] - [ -0.0004963700000000, -0.0001106500000000, -0.0005458800000000 ] - [ -0.0006115900000000, -0.0000956500000000, 0.0001310600000000 ] - [ -0.0007806500000000, 0.0007389300000000, -0.0000453100000000 ] - [ -0.0001661200000000, -0.0000756100000000, -0.0002514700000000 ] - [ -0.0007252500000000, 0.0001255200000000, 0.0007894900000000 ] - [ -0.0005600000000000, -0.0005536700000000, 0.0002347500000000 ] - [ -0.0007735100000000, 0.0000240600000000, -0.0006284700000000 ] - [ -0.0002039500000000, -0.0002117300000000, -0.0001672200000000 ] - [ -0.0001249200000000, -0.0004184400000000, -0.0000748700000000 ] - [ -0.0007017300000000, -0.0001473100000000, 0.0005384400000000 ] - [ -0.0005666100000000, 0.0005553500000000, 0.0002404400000000 ] - [ -0.0006720000000000, 0.0000318600000000, -0.0002954400000000 ] - [ -0.0001838000000000, 0.0002045400000000, -0.0001743000000000 ] - [ -0.0004045400000000, -0.0001565400000000, -0.0004683800000000 ] - [ -0.0002872100000000, 0.0005975900000000, 0.0005196000000000 ] - [ -0.0004313800000000, 0.0001225100000000, -0.0000353700000000 ] - [ -0.0003226900000000, -0.0001357800000000, -0.0001015800000000 ] - [ -0.0008589900000000, -0.0002007800000000, -0.0002019000000000 ] - [ -0.0005253400000000, 0.0000146500000000, 0.0005683000000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000305700000000, 0.0001189600000000, -0.0004119700000000 ] - [ -0.0003292000000000, -0.0003008800000000, 0.0000990600000000 ] - [ -0.0007836200000000, -0.0041317900000000, 0.0002256100000000 ] - [ -0.0003674100000000, 0.0005861400000000, 0.0002806200000000 ] - [ -0.0000229600000000, 0.0001182700000000, -0.0003001700000000 ] - [ -0.0003486600000000, -0.0002601700000000, 0.0001623300000000 ] - [ -0.0000219200000000, -0.0001188200000000, -0.0002975300000000 ] - [ -0.0003494300000000, 0.0002591400000000, 0.0001678200000000 ] - [ 0.0026836900000000, 0.0081069900000000, 0.0125597300000000 ] - [ -0.0001296400000000, -0.0030775100000000, -0.0025658400000000 ] - [ -0.0001722100000000, 0.0002433900000000, 0.0000196200000000 ] - [ -0.0000329800000000, -0.0002485000000000, 0.0001658300000000 ] - [ 0.0000828700000000, 0.0001504600000000, -0.0003489500000000 ] - [ 0.0000864100000000, -0.0001497500000000, -0.0003521900000000 ] - [ -0.0000768900000000, 0.0002493400000000, 0.0000751200000000 ] - [ -0.0001670300000000, -0.0002641500000000, 0.0001097400000000 ] - [ -0.0004883500000000, -0.0009226600000000, 0.0001409600000000 ] - [ 0.0006434800000000, -0.0008174700000000, 0.0003759200000000 ] - [ 0.0005761500000000, 0.0007845300000000, 0.0004530800000000 ] - [ -0.0004484000000000, 0.0005238100000000, 0.0007313800000000 ] - [ 0.0015851200000000, 0.0013274400000000, -0.0000779000000000 ] - [ -0.0000753100000000, -0.0002615600000000, -0.0005670600000000 ] - [ -0.0002914700000000, 0.0002992900000000, -0.0007867600000000 ] - [ -0.0000806700000000, -0.0006149100000000, 0.0009212400000000 ] - [ 0.0005530600000000, -0.0022300200000000, -0.0001135200000000 ] - [ 0.0014392100000000, -0.0008313000000000, -0.0003503900000000 ] - [ 0.0001291200000000, 0.0002920000000000, -0.0003131300000000 ] - [ -0.0000743400000000, -0.0003033800000000, 0.0007420300000000 ] - [ 0.0094030900000000, 0.0274300900000000, -0.0168438900000000 ] - [ -0.0001199600000000, 0.0004088800000000, -0.0003834500000000 ] - [ 0.0000691900000000, 0.0000311700000000, -0.0000367700000000 ] - [ -0.0004317200000000, -0.0062052900000000, 0.0041723200000000 ] - [ -0.0000194900000000, -0.0000495800000000, -0.0000371900000000 ] - [ 0.0005971000000000, -0.0008016100000000, 0.0003557400000000 ] - [ 0.0006246600000000, 0.0008114100000000, 0.0004757600000000 ] - [ -0.0002843600000000, 0.0005870700000000, 0.0008444600000000 ] - [ 0.0003901200000000, -0.0000292000000000, -0.0001645400000000 ] - [ 0.0000354600000000, 0.0000870300000000, -0.0002374600000000 ] - [ 0.0001798700000000, -0.0000865200000000, -0.0001060200000000 ] - [ -0.0003306400000000, -0.0005558400000000, 0.0008220700000000 ] - [ 0.0003772100000000, 0.0000301600000000, -0.0001628400000000 ] - [ 0.0003208200000000, -0.0002163200000000, 0.0001939800000000 ] - [ 0.0000147200000000, 0.0003414400000000, -0.0000330200000000 ] - [ 0.0000104600000000, -0.0003477600000000, -0.0000018000000000 ] - [ 0.0001810300000000, 0.0000849500000000, -0.0001027900000000 ] - [ 0.0003309600000000, 0.0002184300000000, 0.0001909200000000 ] - [ -0.0000397800000000, 0.0000528100000000, -0.0000582500000000 ] - [ 0.0000334400000000, -0.0000883400000000, -0.0002288400000000 ] - [ -0.0005488500000000, 0.0001996900000000, -0.0004000300000000 ] - [ 0.0031804800000000, 0.0003569300000000, -0.0054887300000000 ] - [ -0.0096112600000000, 0.0056583000000000, 0.0249379400000000 ] - [ -0.0002209800000000, -0.0002056900000000, 0.0007269800000000 ] - [ -0.0001396500000000, 0.0004756000000000, 0.0003038100000000 ] - [ -0.0003423800000000, 0.0001524600000000, -0.0004143200000000 ] - [ -0.0001768100000000, -0.0001497400000000, 0.0000825100000000 ] - [ -0.0002517500000000, 0.0004206100000000, -0.0005983600000000 ] - [ 0.0003023600000000, 0.0000190300000000, 0.0001415000000000 ] - [ -0.0004382700000000, 0.0001738400000000, 0.0003197300000000 ] - [ -0.0000210300000000, 0.0000781700000000, -0.0005471100000000 ] - [ -0.0005395900000000, -0.0001737900000000, 0.0003921700000000 ] - [ 0.0003324200000000, -0.0006366500000000, 0.0004435500000000 ] - [ 0.0003312900000000, 0.0006856500000000, 0.0003721300000000 ] - [ -0.0128231900000000, -0.0515782700000000, -0.0170727500000000 ] - [ -0.0000585100000000, -0.0000602400000000, -0.0004427700000000 ] - [ 0.0002198400000000, 0.0000436700000000, 0.0005082000000000 ] - [ 0.0002975100000000, -0.0002033100000000, 0.0003007500000000 ] - [ 0.0001642800000000, 0.0004034100000000, -0.0000570800000000 ] - [ 0.0001292300000000, -0.0000798700000000, -0.0000601000000000 ] - [ -0.0010709400000000, 0.0003914500000000, -0.0005494900000000 ] - [ 0.0000804600000000, 0.0005287800000000, -0.0001074400000000 ] - [ -0.0026966400000000, 0.0024834600000000, 0.0016856500000000 ] - [ -0.0002814400000000, 0.0005382700000000, -0.0001025700000000 ] - [ -0.0050162800000000, 0.0031203000000000, -0.0000108200000000 ] - [ -0.0001158100000000, -0.0003830300000000, 0.0007370100000000 ] - [ 0.0002131900000000, -0.0000329100000000, 0.0001843200000000 ] - [ 0.0000371200000000, -0.0005133400000000, 0.0002279300000000 ] - [ 0.0001124400000000, 0.0002829100000000, -0.0000331200000000 ] - [ 0.0044463700000000, -0.0005264700000000, -0.0092851200000000 ] - [ 0.0007229700000000, 0.0010297200000000, -0.0004346300000000 ] - [ 0.0001088300000000, -0.0000943200000000, 0.0001567100000000 ] - [ 0.0123542600000000, 0.0160087600000000, 0.0036075900000000 ] - [ -0.0001290300000000, 0.0003720900000000, 0.0007862500000000 ] - [ -0.0005144700000000, -0.0010267600000000, 0.0001863900000000 ] - [ -0.0004405000000000, 0.0000054400000000, -0.0004882900000000 ] - [ 0.0012308000000000, 0.0003868100000000, 0.0000790500000000 ] - [ 0.0001004800000000, -0.0004010600000000, -0.0000635400000000 ] - [ -0.0002399800000000, -0.0003312300000000, 0.0007454700000000 ] - [ -0.0018140400000000, 0.0030189900000000, -0.0007085100000000 ] - [ 0.0000209400000000, 0.0002410600000000, -0.0001663900000000 ] - [ 0.0000755100000000, 0.0002228600000000, -0.0002106400000000 ] - [ 0.0008865400000000, -0.0002760900000000, 0.0001394400000000 ] - [ 0.0000573300000000, 0.0004972100000000, 0.0004324500000000 ] - [ 0.0000938700000000, -0.0016158800000000, 0.0013401000000000 ] - [ -0.0000422500000000, 0.0000143900000000, 0.0002197500000000 ] - [ -0.0008531600000000, 0.0003095800000000, -0.0005881500000000 ] - [ -0.0003900900000000, -0.0000396900000000, 0.0003412700000000 ] - [ -0.0005116000000000, 0.0001381800000000, -0.0003453500000000 ] - [ -0.0002713500000000, -0.0004612900000000, -0.0001644900000000 ] - [ -0.0001596500000000, -0.0001181300000000, -0.0000204700000000 ] - [ -0.0002343900000000, -0.0001391100000000, 0.0005784700000000 ] - [ 0.0001586800000000, 0.0002075700000000, 0.0002022000000000 ] - [ -0.0004210500000000, 0.0000264700000000, -0.0004874500000000 ] - [ -0.0000303400000000, -0.0002259500000000, -0.0000616400000000 ] - [ -0.0000581700000000, 0.0000584300000000, -0.0001587300000000 ] - [ 0.0002459000000000, 0.0000290600000000, 0.0001502600000000 ] - [ -0.0005191600000000, 0.0001819000000000, 0.0003438200000000 ] - [ -0.0000351000000000, 0.0000505700000000, -0.0005042600000000 ] - [ -0.0005095400000000, -0.0001843200000000, 0.0003687400000000 ] - [ 0.0003416700000000, -0.0006407100000000, 0.0004252800000000 ] - [ 0.0003388600000000, 0.0006599500000000, 0.0003863200000000 ] - [ 0.0000386000000000, 0.0000429600000000, -0.0002186100000000 ] - [ -0.0000353800000000, -0.0000700200000000, -0.0004707000000000 ] - [ 0.0001753200000000, -0.0001756500000000, 0.0000067900000000 ] - [ 0.0001464200000000, -0.0002177200000000, 0.0002016700000000 ] - [ 0.0001354100000000, 0.0003972700000000, -0.0000732200000000 ] - [ 0.0001184600000000, -0.0000231700000000, -0.0000548900000000 ] - [ -0.0005162700000000, -0.0001353000000000, -0.0003489700000000 ] - [ 0.0001555500000000, 0.0001432500000000, -0.0003486500000000 ] - [ -0.0003251200000000, -0.0000212000000000, -0.0002784600000000 ] - [ 0.0001796200000000, 0.0003363700000000, -0.0002914900000000 ] - [ 0.0001760200000000, 0.0001763700000000, 0.0000025000000000 ] - [ 0.0000378700000000, -0.0000434000000000, -0.0002150200000000 ] - [ 0.0002483300000000, -0.0000175400000000, 0.0001846200000000 ] - [ 0.0000489600000000, -0.0005013500000000, 0.0003576500000000 ] - [ 0.0003213900000000, -0.0000920900000000, -0.0002146900000000 ] - [ 0.0001529000000000, -0.0001430800000000, -0.0003499600000000 ] - [ -0.0000270800000000, 0.0002301200000000, -0.0000702900000000 ] - [ -0.0002752100000000, 0.0004631800000000, -0.0001622300000000 ] - [ 0.0003225900000000, 0.0000924900000000, -0.0002167200000000 ] - [ -0.0002033100000000, 0.0003463800000000, 0.0007577900000000 ] - [ -0.0001909700000000, -0.0004581200000000, 0.0001385700000000 ] - [ -0.0004059200000000, -0.0000303600000000, -0.0004819200000000 ] - [ 0.0001991300000000, -0.0000416800000000, -0.0002642500000000 ] - [ 0.0001405600000000, -0.0003998500000000, -0.0000455200000000 ] - [ -0.0001423300000000, -0.0003676200000000, 0.0007740700000000 ] - [ -0.0001895800000000, 0.0004562600000000, 0.0001360800000000 ] - [ 0.0001306700000000, 0.0000245200000000, -0.0000587700000000 ] - [ 0.0002042500000000, 0.0000383100000000, -0.0002638400000000 ] - [ 0.0001760200000000, -0.0003347300000000, -0.0002935700000000 ] - [ 0.0000320500000000, 0.0005065100000000, 0.0003636200000000 ] - [ -0.0001590900000000, 0.0001176300000000, -0.0000201900000000 ] - [ -0.0000605200000000, -0.0000585300000000, -0.0001558100000000 ] - [ -0.0003288300000000, 0.0000189900000000, -0.0002750900000000 ] - [ -0.0002282500000000, 0.0001372100000000, 0.0005650600000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000595800000000, 0.0001175300000000, -0.0001880100000000 ] - [ -0.0003570900000000, -0.0002180200000000, 0.0002321700000000 ] - [ 0.0007080100000000, 0.0037312400000000, -0.0008468000000000 ] - [ -0.0003155500000000, -0.0000689200000000, 0.0000515300000000 ] - [ -0.0000068700000000, 0.0001182900000000, -0.0002972600000000 ] - [ -0.0003370600000000, -0.0002587100000000, 0.0001699400000000 ] - [ -0.0000078500000000, -0.0001187500000000, -0.0002999900000000 ] - [ -0.0003363800000000, 0.0002587400000000, 0.0001644200000000 ] - [ -0.0024745000000000, -0.0079336200000000, -0.0131712900000000 ] - [ 0.0003449800000000, 0.0027780000000000, 0.0018349500000000 ] - [ -0.0000165000000000, 0.0002666100000000, 0.0001811300000000 ] - [ -0.0001518600000000, -0.0002606800000000, 0.0000336700000000 ] - [ 0.0001356700000000, 0.0001531300000000, -0.0003514100000000 ] - [ 0.0001324400000000, -0.0001537100000000, -0.0003481200000000 ] - [ -0.0001081000000000, 0.0002591200000000, 0.0001250200000000 ] - [ -0.0000201300000000, -0.0002456800000000, 0.0000896100000000 ] - [ 0.0004662600000000, 0.0008208700000000, -0.0002337200000000 ] - [ 0.0006145400000000, -0.0007992300000000, 0.0004506600000000 ] - [ 0.0006823700000000, 0.0008315100000000, 0.0003751800000000 ] - [ -0.0001243500000000, 0.0006260800000000, 0.0009308700000000 ] - [ -0.0007714700000000, -0.0013841600000000, -0.0002555500000000 ] - [ 0.0002044300000000, 0.0004425600000000, 0.0000768800000000 ] - [ 0.0006961700000000, -0.0004614800000000, 0.0005675000000000 ] - [ -0.0004880800000000, -0.0005365600000000, 0.0007477300000000 ] - [ 0.0002770700000000, 0.0022623800000000, -0.0002142200000000 ] - [ -0.0007262200000000, 0.0004010600000000, 0.0007485500000000 ] - [ -0.0000559700000000, 0.0003971900000000, 0.0002638000000000 ] - [ 0.0001363200000000, -0.0003893500000000, -0.0007746500000000 ] - [ -0.0096878500000000, -0.0274677900000000, 0.0176364500000000 ] - [ 0.0008123500000000, 0.0000279000000000, 0.0007472200000000 ] - [ -0.0000938600000000, 0.0000701900000000, -0.0000623500000000 ] - [ 0.0005315300000000, 0.0060429400000000, -0.0046167100000000 ] - [ -0.0000047100000000, -0.0000511600000000, -0.0000590500000000 ] - [ 0.0006612600000000, -0.0008148200000000, 0.0004710400000000 ] - [ 0.0006328200000000, 0.0008049300000000, 0.0003527500000000 ] - [ -0.0002869300000000, 0.0005630100000000, 0.0008208200000000 ] - [ 0.0004376700000000, -0.0000214300000000, -0.0001651200000000 ] - [ 0.0000733900000000, 0.0000814800000000, -0.0002293900000000 ] - [ 0.0002203400000000, -0.0000743900000000, -0.0000960800000000 ] - [ -0.0002412000000000, -0.0005943500000000, 0.0008438300000000 ] - [ 0.0004503400000000, 0.0000200900000000, -0.0001668600000000 ] - [ 0.0003736300000000, -0.0002208400000000, 0.0001844900000000 ] - [ 0.0000532300000000, 0.0003490300000000, -0.0000109800000000 ] - [ 0.0000578700000000, -0.0003431500000000, -0.0000417300000000 ] - [ 0.0002194000000000, 0.0000753500000000, -0.0000988800000000 ] - [ 0.0003635300000000, 0.0002183900000000, 0.0001870300000000 ] - [ 0.0000154800000000, 0.0000475500000000, -0.0000385700000000 ] - [ 0.0000755400000000, -0.0000807500000000, -0.0002381000000000 ] - [ -0.0004940000000000, 0.0000703400000000, -0.0002923300000000 ] - [ -0.0037518300000000, -0.0012682000000000, 0.0051707000000000 ] - [ 0.0092844800000000, -0.0060302100000000, -0.0253099900000000 ] - [ -0.0002541800000000, -0.0000678500000000, 0.0004220800000000 ] - [ 0.0004146600000000, -0.0000345200000000, 0.0001090300000000 ] - [ -0.0004998200000000, -0.0001004200000000, -0.0005631700000000 ] - [ 0.0000909600000000, -0.0002911600000000, -0.0002054700000000 ] - [ 0.0001192800000000, -0.0002994300000000, 0.0002709800000000 ] - [ 0.0001763800000000, 0.0000295200000000, 0.0001953400000000 ] - [ -0.0006148600000000, 0.0002004800000000, 0.0003851800000000 ] - [ -0.0000736900000000, 0.0000390600000000, -0.0004254700000000 ] - [ -0.0005187000000000, -0.0002016200000000, 0.0003127700000000 ] - [ 0.0003335500000000, -0.0006663800000000, 0.0003690200000000 ] - [ 0.0003336600000000, 0.0006179800000000, 0.0004393400000000 ] - [ 0.0133956300000000, 0.0520764100000000, 0.0158805000000000 ] - [ -0.0000355500000000, -0.0000576900000000, -0.0005292600000000 ] - [ 0.0001128500000000, -0.0004014600000000, -0.0004871600000000 ] - [ -0.0000185500000000, -0.0002379500000000, 0.0001160700000000 ] - [ 0.0000976200000000, 0.0003985100000000, -0.0000556100000000 ] - [ 0.0000885600000000, 0.0000335300000000, -0.0000584600000000 ] - [ 0.0000222000000000, -0.0006621200000000, -0.0001488300000000 ] - [ 0.0001981900000000, -0.0002452200000000, -0.0005981600000000 ] - [ 0.0020051300000000, -0.0025112000000000, -0.0022162500000000 ] - [ 0.0005913400000000, 0.0001115800000000, -0.0004869600000000 ] - [ 0.0054004600000000, -0.0027433900000000, -0.0000146100000000 ] - [ 0.0001788500000000, 0.0002964200000000, -0.0011561700000000 ] - [ 0.0002650700000000, -0.0000156700000000, 0.0001542200000000 ] - [ 0.0000280600000000, -0.0005021100000000, 0.0004928900000000 ] - [ 0.0005081400000000, -0.0004613700000000, -0.0003928200000000 ] - [ -0.0041662200000000, 0.0002124000000000, 0.0084657000000000 ] - [ -0.0007882300000000, -0.0005718800000000, 0.0003069400000000 ] - [ -0.0006757500000000, 0.0010297700000000, -0.0004773200000000 ] - [ -0.0115293900000000, -0.0156413700000000, -0.0039255200000000 ] - [ -0.0002368800000000, 0.0003267200000000, 0.0007391000000000 ] - [ 0.0001062200000000, 0.0001012400000000, 0.0001135300000000 ] - [ -0.0004035800000000, -0.0000603000000000, -0.0004848600000000 ] - [ -0.0008451000000000, -0.0004705600000000, -0.0006082700000000 ] - [ 0.0001610900000000, -0.0004004400000000, -0.0000503000000000 ] - [ -0.0001268500000000, -0.0003679500000000, 0.0007782800000000 ] - [ 0.0014168700000000, -0.0020633900000000, 0.0010126300000000 ] - [ 0.0001910300000000, -0.0001918200000000, 0.0000432000000000 ] - [ 0.0003105000000000, -0.0001356500000000, -0.0003129300000000 ] - [ -0.0005514800000000, -0.0003892500000000, -0.0007258200000000 ] - [ 0.0000074000000000, 0.0005180800000000, 0.0002929100000000 ] - [ -0.0004254300000000, 0.0018501200000000, -0.0013768900000000 ] - [ -0.0000897000000000, -0.0001348000000000, -0.0005261900000000 ] - [ 0.0001810400000000, -0.0002764300000000, 0.0000409300000000 ] - [ -0.0000845800000000, 0.0003090100000000, 0.0007991500000000 ] - [ -0.0005315000000000, 0.0001316000000000, -0.0003483400000000 ] - [ -0.0002970500000000, -0.0004753800000000, -0.0001571600000000 ] - [ -0.0001700500000000, -0.0001175000000000, -0.0000223300000000 ] - [ -0.0002402200000000, -0.0001335000000000, 0.0005676600000000 ] - [ 0.0001202200000000, 0.0002322200000000, 0.0002108800000000 ] - [ -0.0004217600000000, 0.0000271300000000, -0.0004873400000000 ] - [ -0.0000504500000000, -0.0002179100000000, -0.0000633000000000 ] - [ -0.0000721000000000, 0.0000631700000000, -0.0001559800000000 ] - [ 0.0002329100000000, 0.0000194000000000, 0.0001867800000000 ] - [ -0.0005377600000000, 0.0001932000000000, 0.0003608300000000 ] - [ -0.0000587300000000, 0.0000667100000000, -0.0004685300000000 ] - [ -0.0005463900000000, -0.0001906800000000, 0.0003363200000000 ] - [ 0.0003236500000000, -0.0006626700000000, 0.0003869100000000 ] - [ 0.0003267000000000, 0.0006433200000000, 0.0004252200000000 ] - [ 0.0000269100000000, 0.0000434600000000, -0.0002119400000000 ] - [ -0.0000586900000000, -0.0000479800000000, -0.0005014200000000 ] - [ 0.0001594100000000, -0.0001835300000000, 0.0000028900000000 ] - [ 0.0001324500000000, -0.0002224700000000, 0.0002117000000000 ] - [ 0.0001261600000000, 0.0004044300000000, -0.0000398600000000 ] - [ 0.0000937200000000, -0.0000237100000000, -0.0000673600000000 ] - [ -0.0005268600000000, -0.0001346900000000, -0.0003453800000000 ] - [ 0.0001258000000000, 0.0001414000000000, -0.0003586900000000 ] - [ -0.0003500400000000, -0.0000100900000000, -0.0002713300000000 ] - [ 0.0001504600000000, 0.0003280100000000, -0.0003016000000000 ] - [ 0.0001585100000000, 0.0001828000000000, 0.0000073400000000 ] - [ 0.0000273800000000, -0.0000431300000000, -0.0002149200000000 ] - [ 0.0002303900000000, -0.0000309200000000, 0.0001534300000000 ] - [ 0.0000160300000000, -0.0005147800000000, 0.0003658300000000 ] - [ 0.0003014600000000, -0.0000855300000000, -0.0002160000000000 ] - [ 0.0001279900000000, -0.0001419900000000, -0.0003573900000000 ] - [ -0.0000534000000000, 0.0002132300000000, -0.0000551900000000 ] - [ -0.0002932300000000, 0.0004730000000000, -0.0001593800000000 ] - [ 0.0003003300000000, 0.0000847700000000, -0.0002141300000000 ] - [ -0.0001632400000000, 0.0003523700000000, 0.0007672200000000 ] - [ -0.0002062200000000, -0.0004609400000000, 0.0001382400000000 ] - [ -0.0004368200000000, -0.0000234600000000, -0.0004925800000000 ] - [ 0.0001872100000000, -0.0000455700000000, -0.0002596100000000 ] - [ 0.0001213600000000, -0.0004020700000000, -0.0000677100000000 ] - [ -0.0002237400000000, -0.0003317300000000, 0.0007500300000000 ] - [ -0.0002079800000000, 0.0004620700000000, 0.0001406900000000 ] - [ 0.0000825700000000, 0.0000225600000000, -0.0000640000000000 ] - [ 0.0001819400000000, 0.0000484700000000, -0.0002603800000000 ] - [ 0.0001542300000000, -0.0003301700000000, -0.0002990400000000 ] - [ 0.0000328400000000, 0.0005086600000000, 0.0003602200000000 ] - [ -0.0001713000000000, 0.0001181200000000, -0.0000228600000000 ] - [ -0.0000696900000000, -0.0000633500000000, -0.0001585500000000 ] - [ -0.0003464300000000, 0.0000118200000000, -0.0002746900000000 ] - [ -0.0002463300000000, 0.0001348900000000, 0.0005806900000000 ]- atom: 63 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0000091700000000, -0.0000157700000000, -0.0027061200000000 ] - [ -0.0009428900000000, -0.0003599300000000, -0.0012564000000000 ] - [ -0.0005101500000000, 0.0001399300000000, 0.0060735400000000 ] - [ 0.0014756000000000, 0.0000754100000000, 0.0017421100000000 ] - [ 0.0000403100000000, 0.0001174500000000, -0.0003047400000000 ] - [ -0.0002957600000000, -0.0002571200000000, 0.0001606600000000 ] - [ 0.0000458200000000, -0.0001177700000000, -0.0002907400000000 ] - [ -0.0002973500000000, 0.0002547200000000, 0.0001865600000000 ] - [ 0.0059939200000000, 0.0100687300000000, 0.0310975000000000 ] - [ 0.0015032400000000, 0.0012990100000000, -0.0156422100000000 ] - [ -0.0022104500000000, 0.0004600200000000, -0.0004761300000000 ] - [ 0.0026174600000000, 0.0000059300000000, 0.0006851300000000 ] - [ 0.0002989200000000, 0.0001696900000000, -0.0003330200000000 ] - [ 0.0002944300000000, -0.0001618400000000, -0.0003556700000000 ] - [ 0.0002859100000000, 0.0002228400000000, 0.0000083800000000 ] - [ -0.0000898400000000, -0.0002687600000000, 0.0001781000000000 ] - [ -0.0014304200000000, -0.0006630600000000, 0.0018948600000000 ] - [ 0.0009683800000000, -0.0009617500000000, -0.0007017800000000 ] - [ 0.0005603700000000, 0.0006760800000000, 0.0016000000000000 ] - [ -0.0008897400000000, 0.0002928100000000, 0.0004561000000000 ] - [ -0.0109612400000000, -0.0023519200000000, -0.0026752900000000 ] - [ 0.0046399100000000, 0.0019742400000000, -0.0079153400000000 ] - [ -0.0050672600000000, -0.0004879600000000, -0.0107042500000000 ] - [ 0.0007151700000000, -0.0009760900000000, 0.0012024100000000 ] - [ 0.0057920800000000, -0.0005007400000000, -0.0023155400000000 ] - [ 0.0053029100000000, 0.0006136500000000, 0.0036681300000000 ] - [ 0.0008705300000000, -0.0000418600000000, -0.0017926000000000 ] - [ -0.0005681300000000, -0.0007501800000000, 0.0020752100000000 ] - [ -0.0972815000000000, -0.0072188600000000, 0.1864781600000000 ] - [ -0.0031497000000000, 0.0010587500000000, -0.0033613100000000 ] - [ 0.0014565000000000, -0.0003594500000000, -0.0022151700000000 ] - [ -0.0103155300000000, -0.0001083400000000, 0.0084764200000000 ] - [ 0.0001738800000000, -0.0000354500000000, 0.0000069800000000 ] - [ 0.0006915000000000, -0.0007863900000000, 0.0001679600000000 ] - [ 0.0008480000000000, 0.0008586300000000, 0.0007053500000000 ] - [ 0.0003391800000000, 0.0008506500000000, 0.0007556400000000 ] - [ 0.0006750600000000, 0.0000064100000000, -0.0001818800000000 ] - [ 0.0001967000000000, 0.0000658400000000, -0.0002844200000000 ] - [ 0.0003502800000000, -0.0000429300000000, -0.0000895800000000 ] - [ -0.0005973100000000, -0.0003804300000000, 0.0009054400000000 ] - [ 0.0006249100000000, -0.0000038800000000, -0.0001703800000000 ] - [ 0.0004295800000000, -0.0001946200000000, 0.0002368800000000 ] - [ 0.0000852000000000, 0.0002690800000000, -0.0003226000000000 ] - [ 0.0003071200000000, -0.0004179600000000, 0.0002208500000000 ] - [ 0.0003476400000000, 0.0000331200000000, -0.0000589600000000 ] - [ 0.0005827500000000, 0.0002297900000000, 0.0000899600000000 ] - [ 0.0000868800000000, 0.0000469800000000, -0.0000802000000000 ] - [ 0.0002239300000000, -0.0000618100000000, -0.0001800000000000 ] - [ -0.0006556100000000, 0.0001175500000000, 0.0015486400000000 ] - [ -0.0098506000000000, -0.0077775200000000, 0.0077733300000000 ] - [ -0.0081508800000000, 0.0161512300000000, 0.0240029100000000 ] - [ -0.0001421000000000, -0.0005556100000000, 0.0014794300000000 ] - [ -0.0012134300000000, 0.0007619900000000, 0.0003534500000000 ] - [ 0.0005460700000000, -0.0001233600000000, -0.0007131400000000 ] - [ -0.0012515000000000, 0.0004808300000000, 0.0007150300000000 ] - [ -0.0004079400000000, 0.0004289000000000, -0.0030279200000000 ] - [ 0.0008874200000000, -0.0001117100000000, -0.0006133600000000 ] - [ -0.0003685700000000, 0.0002548900000000, 0.0001396300000000 ] - [ -0.0000999300000000, -0.0000362800000000, -0.0014437500000000 ] - [ -0.0008284700000000, -0.0001635900000000, 0.0005047800000000 ] - [ 0.0005678000000000, -0.0001792400000000, 0.0013224800000000 ] - [ 0.0000282500000000, 0.0011242000000000, -0.0005475500000000 ] - [ 0.1108357300000000, -0.0168390800000000, -0.2733887900000000 ] - [ -0.0001114200000000, -0.0001325900000000, 0.0003600900000000 ] - [ 0.0009486200000000, 0.0019297500000000, 0.0051112300000000 ] - [ 0.0011686200000000, 0.0000548500000000, 0.0001707600000000 ] - [ 0.0002238600000000, 0.0004422900000000, -0.0000588000000000 ] - [ 0.0036769300000000, 0.0002760500000000, 0.0023479300000000 ] - [ 0.0000849300000000, -0.0001278900000000, -0.0021075700000000 ] - [ 0.0020016600000000, 0.0064246500000000, 0.0058514200000000 ] - [ -0.0055351700000000, 0.0047283700000000, 0.0013741400000000 ] - [ -0.0050762900000000, -0.0015863300000000, 0.0002503600000000 ] - [ -0.0008665600000000, 0.0052583900000000, -0.0106006900000000 ] - [ -0.0010296100000000, -0.0009942900000000, 0.0083273600000000 ] - [ -0.0004592400000000, -0.0001279000000000, 0.0010100300000000 ] - [ -0.0001179200000000, -0.0005577400000000, -0.0000319400000000 ] - [ -0.0009030600000000, 0.0003739000000000, 0.0027198200000000 ] - [ -0.0007360900000000, -0.0090110400000000, 0.0150595100000000 ] - [ 0.0014883000000000, 0.0013459700000000, -0.0009970000000000 ] - [ 0.0020527000000000, -0.0002864600000000, 0.0013850700000000 ] - [ 0.0078243300000000, 0.0074125400000000, -0.0044285200000000 ] - [ -0.0000592600000000, 0.0004018800000000, 0.0008284700000000 ] - [ -0.0044658100000000, -0.0029047500000000, 0.0063572600000000 ] - [ -0.0017962800000000, -0.0004606100000000, 0.0000453100000000 ] - [ 0.0020973400000000, 0.0011529400000000, -0.0018589100000000 ] - [ -0.0000844700000000, -0.0003909900000000, -0.0000345200000000 ] - [ -0.0005096900000000, -0.0002120700000000, 0.0006697900000000 ] - [ 0.0074287500000000, -0.0046341700000000, 0.0031296200000000 ] - [ -0.0044758100000000, 0.0000138100000000, -0.0017655600000000 ] - [ -0.0012597300000000, 0.0013009000000000, 0.0016724400000000 ] - [ 0.0056825700000000, -0.0001075600000000, 0.0017512300000000 ] - [ 0.0000553600000000, 0.0005069400000000, 0.0007192900000000 ] - [ 0.0019094600000000, -0.0058707900000000, 0.0070901700000000 ] - [ -0.0000598500000000, 0.0003807500000000, 0.0023760500000000 ] - [ 0.0029659000000000, 0.0005060600000000, 0.0019666200000000 ] - [ -0.0005016100000000, -0.0004351800000000, -0.0004860500000000 ] - [ -0.0005699000000000, 0.0001305000000000, -0.0003371000000000 ] - [ -0.0003627400000000, -0.0005107900000000, -0.0001465700000000 ] - [ -0.0002126700000000, -0.0001207800000000, -0.0000260100000000 ] - [ -0.0003111000000000, -0.0001422300000000, 0.0007371700000000 ] - [ 0.0001545700000000, 0.0001891000000000, 0.0002140200000000 ] - [ -0.0005156800000000, 0.0000113600000000, -0.0005212400000000 ] - [ -0.0001091000000000, -0.0001583600000000, 0.0000081600000000 ] - [ -0.0001016100000000, 0.0000899500000000, -0.0001920300000000 ] - [ 0.0001793600000000, 0.0000577700000000, 0.0001061900000000 ] - [ -0.0009310000000000, 0.0001977700000000, 0.0000899900000000 ] - [ -0.0001188100000000, -0.0000079700000000, -0.0005661000000000 ] - [ -0.0003597600000000, -0.0002259200000000, 0.0005439800000000 ] - [ 0.0002868300000000, -0.0006262800000000, 0.0004923000000000 ] - [ 0.0002728700000000, 0.0007084500000000, 0.0003138100000000 ] - [ -0.0000154000000000, 0.0000402800000000, -0.0002204400000000 ] - [ -0.0001096700000000, -0.0000774300000000, -0.0004175500000000 ] - [ 0.0001001400000000, -0.0002072500000000, 0.0000352800000000 ] - [ -0.0000638200000000, -0.0003542100000000, 0.0002579100000000 ] - [ -0.0001083500000000, 0.0005201800000000, -0.0001309800000000 ] - [ -0.0000496300000000, -0.0000225600000000, -0.0000913800000000 ] - [ -0.0005905800000000, -0.0001176400000000, -0.0003516600000000 ] - [ 0.0000342200000000, 0.0001399200000000, -0.0003820600000000 ] - [ -0.0004216200000000, 0.0000184600000000, -0.0002709000000000 ] - [ 0.0000959900000000, 0.0003100100000000, -0.0003198500000000 ] - [ 0.0001042100000000, 0.0002144800000000, -0.0000298200000000 ] - [ -0.0000202500000000, -0.0000434100000000, -0.0001969500000000 ] - [ 0.0001962000000000, -0.0000153700000000, 0.0002515400000000 ] - [ 0.0000130300000000, -0.0006246900000000, 0.0001356700000000 ] - [ 0.0002329400000000, -0.0000598400000000, -0.0002127000000000 ] - [ 0.0000274600000000, -0.0001347900000000, -0.0003908500000000 ] - [ -0.0001631900000000, 0.0001795400000000, -0.0000692300000000 ] - [ -0.0003772000000000, 0.0005193600000000, -0.0001365000000000 ] - [ 0.0002275200000000, 0.0000616300000000, -0.0002328500000000 ] - [ -0.0008012900000000, 0.0001429400000000, 0.0008907900000000 ] - [ -0.0002613300000000, -0.0004828000000000, 0.0001667700000000 ] - [ -0.0004528000000000, -0.0000266800000000, -0.0004995000000000 ] - [ 0.0001151800000000, -0.0000783000000000, -0.0002478100000000 ] - [ 0.0002481200000000, -0.0003236400000000, 0.0000390300000000 ] - [ 0.0002572100000000, -0.0004711800000000, 0.0006457900000000 ] - [ -0.0002611200000000, 0.0004683400000000, 0.0001462900000000 ] - [ -0.0000015100000000, 0.0000286200000000, -0.0001102200000000 ] - [ 0.0001377600000000, 0.0000659000000000, -0.0002450800000000 ] - [ 0.0000373900000000, -0.0002910500000000, -0.0003347000000000 ] - [ -0.0000721400000000, 0.0004394000000000, 0.0006108200000000 ] - [ -0.0002104400000000, 0.0001167400000000, -0.0000204900000000 ] - [ -0.0001194000000000, -0.0000589700000000, -0.0001055800000000 ] - [ -0.0004350300000000, -0.0000254800000000, -0.0002560200000000 ] - [ -0.0002592400000000, 0.0000892000000000, 0.0004090300000000 ]- atom: 63 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0000152900000000, 0.0002517100000000, 0.0020963800000000 ] - [ 0.0002609900000000, -0.0001587900000000, 0.0015814900000000 ] - [ 0.0004411900000000, -0.0003967600000000, -0.0066524600000000 ] - [ -0.0021684200000000, 0.0004454400000000, -0.0013864000000000 ] - [ -0.0000689300000000, 0.0001191000000000, -0.0002928600000000 ] - [ -0.0003889000000000, -0.0002616200000000, 0.0001713600000000 ] - [ -0.0000742400000000, -0.0001195700000000, -0.0003068700000000 ] - [ -0.0003869700000000, 0.0002632400000000, 0.0001457200000000 ] - [ -0.0055093400000000, -0.0089582000000000, -0.0294905900000000 ] - [ -0.0013137900000000, -0.0016240000000000, 0.0149193200000000 ] - [ 0.0020219000000000, 0.0000470400000000, 0.0006648600000000 ] - [ -0.0027853300000000, -0.0005139400000000, -0.0004775100000000 ] - [ -0.0000759000000000, 0.0001343400000000, -0.0003660300000000 ] - [ -0.0000714200000000, -0.0001423300000000, -0.0003437200000000 ] - [ -0.0004685300000000, 0.0002867300000000, 0.0001879400000000 ] - [ -0.0000919000000000, -0.0002401400000000, 0.0000240700000000 ] - [ 0.0013836900000000, 0.0005553500000000, -0.0019898700000000 ] - [ 0.0002963400000000, -0.0006556700000000, 0.0015243100000000 ] - [ 0.0006944500000000, 0.0009389300000000, -0.0007657200000000 ] - [ 0.0003124400000000, 0.0008539000000000, 0.0012134300000000 ] - [ 0.0118216600000000, 0.0023132400000000, 0.0023054900000000 ] - [ -0.0045294500000000, -0.0017889400000000, 0.0074067100000000 ] - [ 0.0053984400000000, 0.0003297400000000, 0.0104600400000000 ] - [ -0.0012788700000000, -0.0001776500000000, 0.0004560200000000 ] - [ -0.0049659900000000, 0.0004736900000000, 0.0020437600000000 ] - [ -0.0045897100000000, -0.0010607400000000, -0.0033328300000000 ] - [ -0.0008055600000000, 0.0007299100000000, 0.0017403700000000 ] - [ 0.0006524900000000, 0.0000648200000000, -0.0021116200000000 ] - [ 0.1049671800000000, 0.0081100500000000, -0.1958479300000000 ] - [ 0.0038086700000000, -0.0006137100000000, 0.0037397000000000 ] - [ -0.0014664600000000, 0.0004574400000000, 0.0021144900000000 ] - [ 0.0104889400000000, -0.0000802800000000, -0.0087939300000000 ] - [ -0.0001942200000000, -0.0000651200000000, -0.0001024900000000 ] - [ 0.0005676600000000, -0.0008308100000000, 0.0006585800000000 ] - [ 0.0004159800000000, 0.0007578500000000, 0.0001242100000000 ] - [ -0.0009052300000000, 0.0003031500000000, 0.0009102400000000 ] - [ 0.0001584300000000, -0.0000564400000000, -0.0001496600000000 ] - [ -0.0000839800000000, 0.0001034200000000, -0.0001825900000000 ] - [ 0.0000524900000000, -0.0001169800000000, -0.0001116900000000 ] - [ 0.0000244000000000, -0.0007695900000000, 0.0007576200000000 ] - [ 0.0002082400000000, 0.0000536400000000, -0.0001603400000000 ] - [ 0.0002666700000000, -0.0002402700000000, 0.0001407400000000 ] - [ -0.0000135300000000, 0.0004194900000000, 0.0002763700000000 ] - [ -0.0002357900000000, -0.0002717500000000, -0.0002624700000000 ] - [ 0.0000552900000000, 0.0001262500000000, -0.0001419800000000 ] - [ 0.0001149200000000, 0.0002052300000000, 0.0002870100000000 ] - [ -0.0001089100000000, 0.0000534300000000, -0.0000152700000000 ] - [ -0.0001111900000000, -0.0001078900000000, -0.0002860300000000 ] - [ -0.0003920100000000, 0.0001547500000000, -0.0022354600000000 ] - [ 0.0091771800000000, 0.0067852900000000, -0.0080406400000000 ] - [ 0.0079726300000000, -0.0167055900000000, -0.0243775100000000 ] - [ -0.0003300900000000, 0.0002816700000000, -0.0003320300000000 ] - [ 0.0014857100000000, -0.0003143400000000, 0.0000674400000000 ] - [ -0.0013842900000000, 0.0001862600000000, -0.0002476600000000 ] - [ 0.0011718400000000, -0.0009258300000000, -0.0008328300000000 ] - [ 0.0002676900000000, -0.0003039400000000, 0.0027234300000000 ] - [ -0.0004012800000000, 0.0001560900000000, 0.0009496600000000 ] - [ -0.0006941800000000, 0.0001211500000000, 0.0005613900000000 ] - [ 0.0000094000000000, 0.0001531600000000, 0.0004620400000000 ] - [ -0.0002257700000000, -0.0002079800000000, 0.0002030500000000 ] - [ 0.0000970300000000, -0.0011225100000000, -0.0005070300000000 ] - [ 0.0006378700000000, 0.0001818700000000, 0.0013508400000000 ] - [ -0.1183099000000000, 0.0157256200000000, 0.2803067700000000 ] - [ 0.0000154400000000, 0.0000154800000000, -0.0013283600000000 ] - [ -0.0005986900000000, -0.0022784600000000, -0.0050845000000000 ] - [ -0.0008720200000000, -0.0004875700000000, 0.0002294300000000 ] - [ 0.0000386200000000, 0.0003590400000000, -0.0000583500000000 ] - [ -0.0034701800000000, -0.0003241200000000, -0.0024674800000000 ] - [ -0.0011046700000000, -0.0001510100000000, 0.0014176800000000 ] - [ -0.0017254400000000, -0.0060535000000000, -0.0065007900000000 ] - [ 0.0048041100000000, -0.0047039900000000, -0.0019440000000000 ] - [ 0.0054134500000000, 0.0022471200000000, -0.0008207700000000 ] - [ 0.0010671700000000, -0.0048007600000000, 0.0105886200000000 ] - [ 0.0010885400000000, 0.0009041700000000, -0.0087099400000000 ] - [ 0.0009341400000000, 0.0000796200000000, -0.0006678500000000 ] - [ 0.0001793600000000, -0.0004580100000000, 0.0007591900000000 ] - [ 0.0015372500000000, -0.0005582400000000, -0.0031397100000000 ] - [ 0.0011139100000000, 0.0088760200000000, -0.0160626500000000 ] - [ -0.0015828700000000, -0.0009140100000000, 0.0008669300000000 ] - [ -0.0026301400000000, 0.0012268300000000, -0.0016986700000000 ] - [ -0.0072847200000000, -0.0073123000000000, 0.0038703700000000 ] - [ -0.0003061100000000, 0.0002971400000000, 0.0006973700000000 ] - [ 0.0040714000000000, 0.0019691500000000, -0.0060641800000000 ] - [ 0.0009442100000000, 0.0004041900000000, -0.0010243400000000 ] - [ -0.0016871300000000, -0.0012338300000000, 0.0013472700000000 ] - [ 0.0003434900000000, -0.0004122700000000, -0.0000784000000000 ] - [ 0.0001402100000000, -0.0004853300000000, 0.0008575200000000 ] - [ -0.0077432400000000, 0.0054680700000000, -0.0028885900000000 ] - [ 0.0046525500000000, 0.0000385700000000, 0.0016208800000000 ] - [ 0.0016352700000000, -0.0012074000000000, -0.0021901000000000 ] - [ -0.0052901500000000, -0.0005468900000000, -0.0023436700000000 ] - [ 0.0000102300000000, 0.0005085400000000, 0.0000040800000000 ] - [ -0.0022186300000000, 0.0060356200000000, -0.0070644700000000 ] - [ -0.0000644800000000, -0.0004997500000000, -0.0026814400000000 ] - [ -0.0036625900000000, -0.0004799100000000, -0.0025174500000000 ] - [ 0.0000201700000000, 0.0007029500000000, 0.0016285200000000 ] - [ -0.0004743900000000, 0.0001399800000000, -0.0003563800000000 ] - [ -0.0002078300000000, -0.0004270600000000, -0.0001751500000000 ] - [ -0.0001185400000000, -0.0001148100000000, -0.0000156100000000 ] - [ -0.0001650600000000, -0.0001286100000000, 0.0004076000000000 ] - [ 0.0001248700000000, 0.0002501500000000, 0.0001979200000000 ] - [ -0.0003274500000000, 0.0000430100000000, -0.0004543600000000 ] - [ 0.0000249600000000, -0.0002827900000000, -0.0001306800000000 ] - [ -0.0000294100000000, 0.0000306800000000, -0.0001208900000000 ] - [ 0.0002992600000000, -0.0000104600000000, 0.0002328500000000 ] - [ -0.0001287700000000, 0.0001759800000000, 0.0006123800000000 ] - [ 0.0000233800000000, 0.0001242500000000, -0.0004086100000000 ] - [ -0.0006979700000000, -0.0001478300000000, 0.0001620800000000 ] - [ 0.0003789000000000, -0.0006768100000000, 0.0003196000000000 ] - [ 0.0003922900000000, 0.0005952700000000, 0.0004958100000000 ] - [ 0.0000784800000000, 0.0000458600000000, -0.0002117700000000 ] - [ 0.0000162300000000, -0.0000397600000000, -0.0005559700000000 ] - [ 0.0002334500000000, -0.0001532400000000, -0.0000264800000000 ] - [ 0.0003415900000000, -0.0000865200000000, 0.0001542500000000 ] - [ 0.0003680900000000, 0.0002819400000000, 0.0000144200000000 ] - [ 0.0002609400000000, -0.0000252400000000, -0.0000328100000000 ] - [ -0.0004540900000000, -0.0001529700000000, -0.0003422800000000 ] - [ 0.0002438100000000, 0.0001448400000000, -0.0003260600000000 ] - [ -0.0002572100000000, -0.0000482200000000, -0.0002795300000000 ] - [ 0.0002324900000000, 0.0003524200000000, -0.0002742600000000 ] - [ 0.0002293200000000, 0.0001462700000000, 0.0000382600000000 ] - [ 0.0000830500000000, -0.0000426400000000, -0.0002344900000000 ] - [ 0.0002837000000000, -0.0000317600000000, 0.0000870000000000 ] - [ 0.0000516100000000, -0.0003906000000000, 0.0005886500000000 ] - [ 0.0003884300000000, -0.0001169100000000, -0.0002200800000000 ] - [ 0.0002502800000000, -0.0001501200000000, -0.0003171800000000 ] - [ 0.0000798900000000, 0.0002620000000000, -0.0000549900000000 ] - [ -0.0001934000000000, 0.0004182800000000, -0.0001849800000000 ] - [ 0.0003940200000000, 0.0001151200000000, -0.0002002900000000 ] - [ 0.0004296800000000, 0.0005536000000000, 0.0006356000000000 ] - [ -0.0001367700000000, -0.0004364100000000, 0.0001123900000000 ] - [ -0.0003899900000000, -0.0000274800000000, -0.0004765900000000 ] - [ 0.0002697500000000, -0.0000096700000000, -0.0002763000000000 ] - [ 0.0000126100000000, -0.0004787900000000, -0.0001520700000000 ] - [ -0.0006206500000000, -0.0002279000000000, 0.0008816900000000 ] - [ -0.0001370900000000, 0.0004505100000000, 0.0001324400000000 ] - [ 0.0002132000000000, 0.0000196200000000, -0.0000151000000000 ] - [ 0.0002475700000000, 0.0000215800000000, -0.0002793500000000 ] - [ 0.0002907000000000, -0.0003713900000000, -0.0002592600000000 ] - [ 0.0001344800000000, 0.0005762000000000, 0.0001143700000000 ] - [ -0.0001214700000000, 0.0001192700000000, -0.0000214400000000 ] - [ -0.0000118800000000, -0.0000617200000000, -0.0002067300000000 ] - [ -0.0002438700000000, 0.0000549800000000, -0.0002942000000000 ] - [ -0.0002160800000000, 0.0001811600000000, 0.0007336500000000 ]- atom: 65 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0012268900000000, 0.0005809200000000, 0.0004957100000000 ] - [ -0.0008807100000000, -0.0002835000000000, 0.0004505200000000 ] - [ 0.0004752200000000, -0.0001602900000000, -0.0006134900000000 ] - [ -0.0005888900000000, 0.0002922100000000, -0.0001373100000000 ] - [ -0.0004669700000000, 0.0001252500000000, -0.0003135300000000 ] - [ -0.0007231800000000, -0.0002886400000000, 0.0000786100000000 ] - [ -0.0004442100000000, -0.0001246500000000, -0.0003010200000000 ] - [ -0.0006648200000000, 0.0002809600000000, 0.0001363700000000 ] - [ 0.0045498100000000, 0.0011900600000000, -0.0058165100000000 ] - [ 0.0028224800000000, -0.0010607400000000, 0.0064818200000000 ] - [ -0.0012816900000000, 0.0003162100000000, 0.0002628900000000 ] - [ -0.0018404100000000, -0.0003284400000000, -0.0000869400000000 ] - [ -0.0013221100000000, 0.0000467000000000, -0.0003822000000000 ] - [ -0.0013131100000000, -0.0000468500000000, -0.0003960900000000 ] - [ -0.0018134600000000, 0.0004831400000000, -0.0004413900000000 ] - [ -0.0013334900000000, -0.0002065800000000, 0.0006421100000000 ] - [ -0.0006728000000000, -0.0000772000000000, -0.0002511600000000 ] - [ -0.0005369400000000, -0.0006809100000000, 0.0004251800000000 ] - [ -0.0003357000000000, 0.0007487600000000, 0.0001369000000000 ] - [ -0.0022569000000000, 0.0007218200000000, 0.0025536500000000 ] - [ 0.0002081800000000, 0.0002633300000000, 0.0007175400000000 ] - [ 0.0404391400000000, 0.0108392700000000, 0.0126132900000000 ] - [ 0.0079744300000000, -0.0035743100000000, -0.0059754500000000 ] - [ -0.0005901400000000, -0.0009289000000000, -0.0006199800000000 ] - [ -0.0031685400000000, 0.0007128400000000, -0.0020364400000000 ] - [ 0.0029372700000000, -0.0011015000000000, -0.0034364900000000 ] - [ -0.0052970900000000, 0.0032265500000000, -0.0011313100000000 ] - [ 0.0009340500000000, -0.0002346400000000, 0.0004009200000000 ] - [ 0.0029325800000000, 0.0002966900000000, 0.0004804100000000 ] - [ 0.0102413600000000, -0.0024676800000000, 0.0074313500000000 ] - [ -0.0015505100000000, 0.0002085100000000, -0.0000280800000000 ] - [ 0.0051109300000000, -0.0008818000000000, -0.0013042300000000 ] - [ -0.0009576300000000, -0.0001153700000000, -0.0001796900000000 ] - [ -0.0009054500000000, -0.0008738100000000, 0.0001765600000000 ] - [ 0.0000253400000000, 0.0006591100000000, 0.0003720400000000 ] - [ -0.0015650800000000, 0.0002376900000000, 0.0007819500000000 ] - [ -0.0013703900000000, -0.0002631700000000, -0.0001594700000000 ] - [ -0.0011308600000000, 0.0002443200000000, -0.0002310800000000 ] - [ -0.0009481800000000, -0.0004017900000000, -0.0003028900000000 ] - [ -0.0014176400000000, -0.0003214700000000, 0.0008204300000000 ] - [ -0.0013873900000000, 0.0002482000000000, -0.0000158600000000 ] - [ -0.0008587300000000, -0.0002556500000000, 0.0003777500000000 ] - [ -0.0011810900000000, 0.0003922000000000, 0.0002692400000000 ] - [ -0.0011843500000000, -0.0003722700000000, 0.0001797300000000 ] - [ -0.0009289600000000, 0.0004025300000000, -0.0003045100000000 ] - [ -0.0008891400000000, 0.0002503000000000, 0.0003915600000000 ] - [ -0.0012118700000000, 0.0001287300000000, -0.0000709000000000 ] - [ -0.0011254600000000, -0.0002410400000000, -0.0002446800000000 ] - [ 0.0002439900000000, 0.0002711100000000, -0.0004670400000000 ] - [ 0.0001804100000000, -0.0003741800000000, 0.0008278800000000 ] - [ -0.0008935500000000, -0.0003456100000000, -0.0007824800000000 ] - [ 0.0036567500000000, -0.0008849000000000, -0.0004415800000000 ] - [ -0.0006159000000000, 0.0010641400000000, 0.0022749100000000 ] - [ -0.0000943500000000, 0.0000578900000000, -0.0004252400000000 ] - [ 0.0041206700000000, -0.0008201700000000, 0.0059329400000000 ] - [ -0.0010609700000000, 0.0000455300000000, 0.0010761600000000 ] - [ 0.0005199600000000, -0.0000316300000000, 0.0001761200000000 ] - [ -0.0008414500000000, 0.0004173200000000, -0.0000236900000000 ] - [ 0.0004348300000000, 0.0002257900000000, -0.0003215100000000 ] - [ 0.0013137900000000, 0.0003665900000000, 0.0011023000000000 ] - [ 0.0007256900000000, -0.0006109300000000, 0.0002664900000000 ] - [ 0.0007527500000000, 0.0004707100000000, 0.0005578000000000 ] - [ -0.0006528900000000, 0.0000954300000000, 0.0005373900000000 ] - [ 0.0005465000000000, -0.0002277300000000, -0.0006161900000000 ] - [ -0.0589632800000000, -0.0151186900000000, -0.0078911800000000 ] - [ 0.0010029000000000, 0.0022804100000000, -0.0013347600000000 ] - [ 0.0007514300000000, -0.0000718500000000, -0.0005377200000000 ] - [ 0.0006550900000000, -0.0000952100000000, -0.0002167100000000 ] - [ -0.0003451300000000, -0.0001907900000000, -0.0002570200000000 ] - [ 0.0050542200000000, 0.0034794500000000, 0.0039652800000000 ] - [ 0.0000059500000000, 0.0001422900000000, 0.0008023300000000 ] - [ -0.0030050000000000, 0.0025929300000000, 0.0022171900000000 ] - [ -0.0016009500000000, 0.0008687200000000, 0.0010071300000000 ] - [ 0.0050985000000000, 0.0050999000000000, -0.0010837200000000 ] - [ 0.0007697400000000, 0.0001117300000000, 0.0000174800000000 ] - [ 0.0001732400000000, -0.0002706900000000, 0.0009309400000000 ] - [ -0.0055594600000000, -0.0100075600000000, -0.0142953100000000 ] - [ -0.0011564000000000, 0.0000936300000000, -0.0009553100000000 ] - [ -0.0012341700000000, -0.0007312400000000, -0.0008441300000000 ] - [ 0.0000859100000000, 0.0000558500000000, -0.0008761000000000 ] - [ -0.0019096600000000, -0.0006727700000000, 0.0000071200000000 ] - [ 0.0008181900000000, 0.0007496800000000, 0.0005501700000000 ] - [ -0.0065771500000000, -0.0060332900000000, -0.0078219000000000 ] - [ 0.0001833300000000, -0.0001607100000000, -0.0001135600000000 ] - [ 0.0004032100000000, 0.0000836600000000, -0.0003187000000000 ] - [ 0.0002987600000000, -0.0004816100000000, 0.0002920100000000 ] - [ 0.0002281500000000, -0.0004940900000000, 0.0010914500000000 ] - [ -0.0032812100000000, 0.0011758700000000, 0.0026451000000000 ] - [ 0.0014234300000000, -0.0000486100000000, 0.0007540900000000 ] - [ 0.0011031000000000, -0.0002862400000000, -0.0004058400000000 ] - [ -0.0068285300000000, 0.0028914800000000, -0.0010729500000000 ] - [ 0.0007314800000000, 0.0000752500000000, -0.0002254800000000 ] - [ 0.0045119400000000, 0.0005632700000000, 0.0075529000000000 ] - [ 0.0011317500000000, 0.0067199400000000, -0.0037791500000000 ] - [ -0.0001608000000000, 0.0003085800000000, -0.0010225100000000 ] - [ -0.0005544800000000, -0.0000633600000000, 0.0005216100000000 ] - [ -0.0000431800000000, 0.0002175000000000, -0.0003816500000000 ] - [ 0.0003631700000000, -0.0001146800000000, -0.0003208500000000 ] - [ 0.0001823200000000, -0.0001115500000000, 0.0000014600000000 ] - [ 0.0001327900000000, -0.0002823700000000, 0.0005254200000000 ] - [ 0.0008515200000000, -0.0001697800000000, -0.0000230600000000 ] - [ 0.0000301900000000, 0.0001124700000000, -0.0002485300000000 ] - [ 0.0006777300000000, -0.0006249900000000, -0.0003069800000000 ] - [ 0.0002780200000000, -0.0000488400000000, -0.0002103900000000 ] - [ 0.0005318600000000, -0.0000699000000000, 0.0002198100000000 ] - [ 0.0002969200000000, -0.0000184400000000, 0.0005977200000000 ] - [ 0.0003104500000000, 0.0001944600000000, -0.0004992400000000 ] - [ 0.0002502700000000, 0.0000255500000000, 0.0005257300000000 ] - [ 0.0008078700000000, -0.0004908900000000, 0.0005406300000000 ] - [ 0.0006661100000000, 0.0005798900000000, 0.0003010600000000 ] - [ 0.0004073400000000, 0.0000513200000000, -0.0002768900000000 ] - [ 0.0006609800000000, -0.0002591000000000, -0.0004222500000000 ] - [ 0.0006677500000000, 0.0000558100000000, 0.0000107400000000 ] - [ 0.0008884200000000, 0.0001985900000000, -0.0000246800000000 ] - [ 0.0005734000000000, 0.0002886500000000, -0.0001022400000000 ] - [ 0.0011772100000000, -0.0000146200000000, 0.0002767500000000 ] - [ -0.0001090400000000, -0.0002211300000000, -0.0003511000000000 ] - [ 0.0009745300000000, 0.0001846700000000, -0.0001064800000000 ] - [ 0.0003467500000000, -0.0002992200000000, -0.0003830400000000 ] - [ 0.0009116700000000, 0.0005653700000000, -0.0000643100000000 ] - [ 0.0006621800000000, -0.0000536400000000, 0.0000175500000000 ] - [ 0.0004156100000000, -0.0000519700000000, -0.0002722700000000 ] - [ 0.0007456500000000, 0.0000777800000000, -0.0000392100000000 ] - [ 0.0005081500000000, -0.0002951900000000, 0.0003111000000000 ] - [ 0.0009342200000000, -0.0003031800000000, -0.0001684200000000 ] - [ 0.0009702200000000, -0.0001812900000000, -0.0000994300000000 ] - [ 0.0006741900000000, 0.0006142900000000, -0.0002872600000000 ] - [ 0.0003700600000000, 0.0001130700000000, -0.0002965100000000 ] - [ 0.0009310800000000, 0.0003016200000000, -0.0001686300000000 ] - [ 0.0005883500000000, 0.0006680400000000, 0.0008776900000000 ] - [ 0.0002804500000000, -0.0003335300000000, 0.0000085600000000 ] - [ 0.0000910100000000, -0.0000710200000000, -0.0003778100000000 ] - [ 0.0006621900000000, 0.0001605700000000, -0.0003612400000000 ] - [ 0.0005423800000000, -0.0002956700000000, -0.0001644900000000 ] - [ 0.0004120900000000, -0.0006180100000000, 0.0008639700000000 ] - [ 0.0002809100000000, 0.0003348000000000, 0.0000087200000000 ] - [ 0.0010739500000000, 0.0000132400000000, 0.0001879200000000 ] - [ 0.0007409300000000, -0.0001847500000000, -0.0004020600000000 ] - [ 0.0009256300000000, -0.0005707300000000, -0.0000600600000000 ] - [ 0.0005485100000000, 0.0002943200000000, 0.0002728100000000 ] - [ 0.0001916600000000, 0.0001100900000000, -0.0000024500000000 ] - [ 0.0002844700000000, 0.0000471200000000, -0.0002196800000000 ] - [ 0.0003431200000000, 0.0002973600000000, -0.0003475900000000 ] - [ 0.0001176300000000, 0.0002875300000000, 0.0005683300000000 ]- atom: 65 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0011993600000000, -0.0003506600000000, -0.0011024300000000 ] - [ 0.0001985200000000, -0.0002350600000000, -0.0001218800000000 ] - [ -0.0005077600000000, -0.0000777200000000, 0.0000205500000000 ] - [ -0.0000964700000000, 0.0002256200000000, 0.0004715000000000 ] - [ 0.0004378300000000, 0.0001114300000000, -0.0002840800000000 ] - [ 0.0000381900000000, -0.0002300900000000, 0.0002532700000000 ] - [ 0.0004153000000000, -0.0001126200000000, -0.0002965400000000 ] - [ -0.0000199400000000, 0.0002371600000000, 0.0001959500000000 ] - [ -0.0043404700000000, -0.0008956100000000, 0.0051558700000000 ] - [ -0.0026600200000000, 0.0007691100000000, -0.0072126100000000 ] - [ 0.0010947800000000, 0.0001931200000000, -0.0000645100000000 ] - [ 0.0016580100000000, -0.0001805200000000, 0.0002880200000000 ] - [ 0.0015424100000000, 0.0002570100000000, -0.0003166000000000 ] - [ 0.0015332700000000, -0.0002564200000000, -0.0003032800000000 ] - [ 0.0016297800000000, 0.0000259000000000, 0.0006377700000000 ] - [ 0.0011487700000000, -0.0003022000000000, -0.0004391800000000 ] - [ 0.0006475800000000, -0.0000237300000000, 0.0001562500000000 ] - [ 0.0017989400000000, -0.0009356900000000, 0.0004018000000000 ] - [ 0.0015961300000000, 0.0008675000000000, 0.0006923300000000 ] - [ 0.0016776900000000, 0.0004349900000000, -0.0008795800000000 ] - [ 0.0006065900000000, -0.0003175400000000, -0.0010474100000000 ] - [ -0.0404592700000000, -0.0111987600000000, -0.0137555800000000 ] - [ -0.0077066100000000, 0.0033111700000000, 0.0056999900000000 ] - [ 0.0000314000000000, -0.0002311300000000, 0.0022812800000000 ] - [ 0.0040128200000000, -0.0006616800000000, 0.0017153000000000 ] - [ -0.0021984700000000, 0.0006797900000000, 0.0038397100000000 ] - [ 0.0053618000000000, -0.0025139900000000, 0.0010715400000000 ] - [ -0.0008611500000000, -0.0004588300000000, -0.0004330600000000 ] - [ -0.0025446100000000, -0.0001288800000000, -0.0006398100000000 ] - [ -0.0095466700000000, 0.0028832200000000, -0.0070991600000000 ] - [ 0.0015317800000000, -0.0001092300000000, -0.0000692900000000 ] - [ -0.0050071900000000, 0.0007179900000000, 0.0008637800000000 ] - [ 0.0009365400000000, 0.0000149000000000, 0.0000836800000000 ] - [ 0.0021631300000000, -0.0007438500000000, 0.0006488600000000 ] - [ 0.0012384100000000, 0.0009574400000000, 0.0004588100000000 ] - [ 0.0009962400000000, 0.0009133600000000, 0.0008835200000000 ] - [ 0.0022016000000000, 0.0002129800000000, -0.0001722200000000 ] - [ 0.0012400200000000, -0.0000754700000000, -0.0002359800000000 ] - [ 0.0013479900000000, 0.0002418200000000, 0.0001010900000000 ] - [ 0.0008474000000000, -0.0008289800000000, 0.0008447700000000 ] - [ 0.0022178200000000, -0.0001980000000000, -0.0003148200000000 ] - [ 0.0015534700000000, -0.0001810000000000, 0.0000004300000000 ] - [ 0.0012511800000000, 0.0002982000000000, -0.0003135500000000 ] - [ 0.0012544000000000, -0.0003184400000000, -0.0002228500000000 ] - [ 0.0013291500000000, -0.0002428000000000, 0.0001030200000000 ] - [ 0.0015841500000000, 0.0001864100000000, -0.0000137300000000 ] - [ 0.0011886600000000, -0.0000280900000000, -0.0000254200000000 ] - [ 0.0012347200000000, 0.0000722200000000, -0.0002222500000000 ] - [ -0.0012902800000000, -0.0000024100000000, -0.0002262200000000 ] - [ -0.0007534700000000, -0.0005655400000000, -0.0011565900000000 ] - [ 0.0005722600000000, 0.0001072600000000, 0.0007264000000000 ] - [ -0.0040557500000000, 0.0005907100000000, 0.0015727300000000 ] - [ 0.0008793100000000, -0.0006267100000000, -0.0018648900000000 ] - [ -0.0007467000000000, -0.0000030800000000, -0.0005482800000000 ] - [ -0.0041285300000000, 0.0003474100000000, -0.0059286400000000 ] - [ 0.0009280300000000, 0.0000791800000000, -0.0014042000000000 ] - [ -0.0000405200000000, 0.0000797300000000, 0.0001630400000000 ] - [ -0.0002193400000000, -0.0000403000000000, 0.0007243100000000 ] - [ -0.0005291700000000, -0.0001099400000000, -0.0006535800000000 ] - [ -0.0023664800000000, -0.0007399100000000, -0.0003941200000000 ] - [ -0.0000607100000000, -0.0006933200000000, 0.0005452800000000 ] - [ -0.0000877000000000, 0.0008345700000000, 0.0002516900000000 ] - [ 0.0007253400000000, -0.0000117500000000, -0.0009890400000000 ] - [ -0.0006416000000000, 0.0001117300000000, -0.0003565000000000 ] - [ 0.0596739900000000, 0.0153709000000000, 0.0087364000000000 ] - [ -0.0007015000000000, -0.0026934300000000, 0.0017404200000000 ] - [ -0.0004878200000000, 0.0008717800000000, 0.0004221300000000 ] - [ -0.0004373000000000, 0.0000484700000000, 0.0000967000000000 ] - [ -0.0006971200000000, -0.0000784000000000, -0.0004382300000000 ] - [ -0.0048265800000000, -0.0032427000000000, -0.0047181400000000 ] - [ -0.0006833900000000, -0.0001723800000000, -0.0013563400000000 ] - [ 0.0033236000000000, -0.0019500500000000, -0.0028407500000000 ] - [ 0.0019331200000000, -0.0005028200000000, -0.0010134900000000 ] - [ -0.0051711100000000, -0.0053176800000000, 0.0006948100000000 ] - [ -0.0002923500000000, -0.0001602400000000, 0.0003231700000000 ] - [ -0.0001112600000000, -0.0007444200000000, -0.0002068700000000 ] - [ 0.0061787400000000, 0.0099571400000000, 0.0138930200000000 ] - [ 0.0014460800000000, -0.0003793100000000, 0.0002461500000000 ] - [ 0.0011538500000000, 0.0011730800000000, 0.0007126800000000 ] - [ -0.0006488500000000, 0.0008824400000000, 0.0005596100000000 ] - [ 0.0025357300000000, 0.0008515300000000, -0.0004473900000000 ] - [ -0.0011815600000000, -0.0000503800000000, 0.0009738600000000 ] - [ 0.0062193600000000, 0.0050964600000000, 0.0081221600000000 ] - [ -0.0010268300000000, 0.0001071400000000, -0.0008621300000000 ] - [ -0.0000149500000000, -0.0001707000000000, -0.0002058000000000 ] - [ -0.0000403300000000, -0.0003214300000000, -0.0004034500000000 ] - [ -0.0005989900000000, -0.0002025900000000, 0.0004343400000000 ] - [ 0.0028900100000000, -0.0002644400000000, -0.0023818600000000 ] - [ -0.0012132700000000, 0.0000963500000000, -0.0008805600000000 ] - [ -0.0007206000000000, 0.0003744000000000, -0.0001183600000000 ] - [ 0.0071442100000000, -0.0035393400000000, 0.0004816600000000 ] - [ -0.0006664100000000, 0.0009369300000000, 0.0009506900000000 ] - [ -0.0049563900000000, -0.0003262300000000, -0.0077435300000000 ] - [ -0.0012709700000000, -0.0067276100000000, 0.0034534600000000 ] - [ -0.0005067500000000, -0.0002785100000000, 0.0004766500000000 ] - [ 0.0000764400000000, 0.0003310800000000, 0.0006171400000000 ] - [ -0.0010005500000000, 0.0000516500000000, -0.0003123700000000 ] - [ -0.0009329000000000, -0.0008232200000000, -0.0000000900000000 ] - [ -0.0005120600000000, -0.0001226500000000, -0.0000431300000000 ] - [ -0.0006076100000000, 0.0000103800000000, 0.0006209300000000 ] - [ -0.0005728100000000, 0.0006098100000000, 0.0004361600000000 ] - [ -0.0008729300000000, -0.0000577600000000, -0.0007253500000000 ] - [ -0.0007595500000000, 0.0001822200000000, 0.0001824200000000 ] - [ -0.0004085800000000, 0.0001706600000000, -0.0001042600000000 ] - [ -0.0000539500000000, 0.0001183900000000, 0.0001198500000000 ] - [ -0.0013555000000000, 0.0003933900000000, 0.0001061200000000 ] - [ -0.0004058900000000, -0.0000790300000000, -0.0004757200000000 ] - [ -0.0013080200000000, -0.0004000900000000, 0.0001789600000000 ] - [ -0.0001425500000000, -0.0008130900000000, 0.0002714200000000 ] - [ -0.0000014900000000, 0.0007254400000000, 0.0005079300000000 ] - [ -0.0003418000000000, 0.0000350900000000, -0.0001557300000000 ] - [ -0.0007543200000000, 0.0001424500000000, -0.0005508300000000 ] - [ -0.0003334400000000, -0.0004150300000000, -0.0000012200000000 ] - [ -0.0006099400000000, -0.0006388100000000, 0.0004380200000000 ] - [ -0.0003129100000000, 0.0005140500000000, -0.0000113100000000 ] - [ -0.0009642400000000, -0.0000323900000000, -0.0003992400000000 ] - [ -0.0009352800000000, -0.0000477800000000, -0.0003434600000000 ] - [ -0.0006940900000000, 0.0001013100000000, -0.0006005500000000 ] - [ -0.0010231100000000, 0.0002695300000000, -0.0001664800000000 ] - [ -0.0005815100000000, 0.0000985100000000, -0.0005287200000000 ] - [ -0.0003280400000000, 0.0004132800000000, -0.0000079800000000 ] - [ -0.0003502500000000, -0.0000341700000000, -0.0001595900000000 ] - [ -0.0002660700000000, -0.0001255700000000, 0.0003790600000000 ] - [ -0.0004434100000000, -0.0007206500000000, 0.0004127800000000 ] - [ -0.0003107800000000, 0.0001251100000000, -0.0002631300000000 ] - [ -0.0006902800000000, -0.0001046700000000, -0.0006075700000000 ] - [ -0.0007555400000000, -0.0001714700000000, 0.0001619700000000 ] - [ -0.0009398600000000, 0.0008249900000000, -0.0000245300000000 ] - [ -0.0003075500000000, -0.0001234600000000, -0.0002631900000000 ] - [ -0.0009565800000000, 0.0000298900000000, 0.0006480500000000 ] - [ -0.0006774100000000, -0.0005844800000000, 0.0002688200000000 ] - [ -0.0009329700000000, 0.0000166400000000, -0.0005964500000000 ] - [ -0.0002766200000000, -0.0002485300000000, -0.0001625200000000 ] - [ -0.0002816300000000, -0.0005070700000000, 0.0000515100000000 ] - [ -0.0007788300000000, -0.0000804300000000, 0.0006614900000000 ] - [ -0.0006780300000000, 0.0005831300000000, 0.0002684800000000 ] - [ -0.0008602700000000, 0.0000344000000000, -0.0003114900000000 ] - [ -0.0003549200000000, 0.0002724200000000, -0.0001223000000000 ] - [ -0.0005951600000000, -0.0000934700000000, -0.0005324500000000 ] - [ -0.0004841500000000, 0.0007215000000000, 0.0004512200000000 ] - [ -0.0005220400000000, 0.0001246000000000, -0.0000395000000000 ] - [ -0.0004150600000000, -0.0001688400000000, -0.0000946200000000 ] - [ -0.0010196600000000, -0.0002677800000000, -0.0002016400000000 ] - [ -0.0005924700000000, -0.0000154400000000, 0.0005773200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006222500000000, 0.0004745600000000, 0.0012912200000000 ] - [ -0.0004802600000000, -0.0002571600000000, 0.0006461600000000 ] - [ 0.0004566700000000, -0.0000684700000000, -0.0010000400000000 ] - [ -0.0005199600000000, 0.0002726600000000, -0.0002647100000000 ] - [ -0.0002218300000000, 0.0001214200000000, -0.0003012200000000 ] - [ -0.0005114900000000, -0.0002715200000000, 0.0001407100000000 ] - [ -0.0002217100000000, -0.0001217000000000, -0.0003050500000000 ] - [ -0.0005046500000000, 0.0002708500000000, 0.0001358900000000 ] - [ 0.0031704900000000, -0.0004920500000000, -0.0055153400000000 ] - [ 0.0051796400000000, -0.0036251800000000, 0.0017304300000000 ] - [ -0.0001788100000000, 0.0002352200000000, 0.0002870000000000 ] - [ -0.0013955700000000, -0.0003484600000000, -0.0000828900000000 ] - [ -0.0005583700000000, 0.0001018000000000, -0.0003714600000000 ] - [ -0.0005594700000000, -0.0001036000000000, -0.0003657900000000 ] - [ -0.0008685900000000, 0.0003038500000000, 0.0001095900000000 ] - [ -0.0006786200000000, -0.0002643400000000, 0.0001291200000000 ] - [ -0.0000142200000000, 0.0000321500000000, -0.0005628800000000 ] - [ 0.0000404700000000, -0.0007195900000000, 0.0006421300000000 ] - [ 0.0002276400000000, 0.0008167600000000, 0.0000618000000000 ] - [ -0.0006439300000000, 0.0000717300000000, 0.0011214100000000 ] - [ 0.0022063700000000, 0.0005414300000000, -0.0006323700000000 ] - [ 0.0142717800000000, 0.0890135900000000, 0.0905289500000000 ] - [ -0.0108726700000000, -0.0023338200000000, -0.0028008700000000 ] - [ -0.0012782000000000, 0.0000307600000000, 0.0005331900000000 ] - [ -0.0039995600000000, 0.0018861100000000, -0.0023148200000000 ] - [ -0.0022309100000000, -0.0016846600000000, -0.0032039000000000 ] - [ 0.0016032800000000, -0.0025739000000000, 0.0006614800000000 ] - [ 0.0002529600000000, 0.0000542500000000, -0.0007257200000000 ] - [ 0.0015197600000000, -0.0000650400000000, -0.0028368900000000 ] - [ 0.0047905600000000, 0.0077928600000000, 0.0080257200000000 ] - [ -0.0010274800000000, 0.0001670300000000, 0.0003400800000000 ] - [ 0.0036205900000000, -0.0015662500000000, -0.0036217700000000 ] - [ -0.0005259300000000, -0.0000853800000000, -0.0001098000000000 ] - [ 0.0001124100000000, -0.0007015200000000, 0.0004251600000000 ] - [ 0.0001385300000000, 0.0007340800000000, 0.0002234400000000 ] - [ -0.0009742200000000, 0.0003717700000000, 0.0008237800000000 ] - [ -0.0004356800000000, -0.0001330900000000, -0.0001299300000000 ] - [ -0.0004998200000000, 0.0001586800000000, -0.0002213800000000 ] - [ -0.0003343200000000, -0.0002292300000000, -0.0001920900000000 ] - [ -0.0007260600000000, -0.0005005100000000, 0.0008106800000000 ] - [ -0.0004172900000000, 0.0001317100000000, -0.0001218500000000 ] - [ -0.0002035100000000, -0.0002410900000000, 0.0002634300000000 ] - [ -0.0005136000000000, 0.0003834600000000, 0.0001664100000000 ] - [ -0.0005596800000000, -0.0003452900000000, 0.0000207200000000 ] - [ -0.0003332600000000, 0.0002324500000000, -0.0002003800000000 ] - [ -0.0002459900000000, 0.0002320700000000, 0.0002983500000000 ] - [ -0.0005117200000000, 0.0000807000000000, -0.0000604700000000 ] - [ -0.0005027400000000, -0.0001567000000000, -0.0002509000000000 ] - [ -0.0000415500000000, 0.0002168100000000, -0.0007575600000000 ] - [ -0.0001193600000000, -0.0006824100000000, 0.0005899600000000 ] - [ -0.0005579600000000, 0.0008265300000000, 0.0012730600000000 ] - [ -0.0013259300000000, 0.0003332200000000, 0.0002463000000000 ] - [ 0.0012556700000000, 0.0005674200000000, 0.0011963700000000 ] - [ -0.0005087900000000, 0.0000810600000000, -0.0003590800000000 ] - [ -0.0015230700000000, -0.0020191700000000, -0.0027186800000000 ] - [ -0.0002574900000000, -0.0003112600000000, 0.0018259600000000 ] - [ 0.0002365200000000, 0.0000227500000000, 0.0003313000000000 ] - [ -0.0004306300000000, 0.0001205500000000, 0.0004651700000000 ] - [ 0.0001680000000000, 0.0001535000000000, -0.0002399600000000 ] - [ -0.0002139700000000, 0.0002121200000000, 0.0004164800000000 ] - [ 0.0004633300000000, -0.0007251800000000, 0.0001567300000000 ] - [ 0.0005961100000000, 0.0004580100000000, 0.0006688200000000 ] - [ -0.0007231200000000, 0.0002661300000000, 0.0018746400000000 ] - [ 0.0002354000000000, -0.0001204600000000, -0.0007219400000000 ] - [ -0.0153024100000000, -0.1098915500000000, -0.0971845100000000 ] - [ -0.0002033400000000, -0.0007475600000000, -0.0007438600000000 ] - [ 0.0002365200000000, 0.0003642300000000, -0.0001309000000000 ] - [ -0.0004716200000000, -0.0001014400000000, -0.0004387000000000 ] - [ -0.0005191100000000, -0.0001796600000000, 0.0000058000000000 ] - [ 0.0114041100000000, 0.0053761400000000, 0.0058643500000000 ] - [ 0.0004389200000000, 0.0001025600000000, 0.0012967100000000 ] - [ 0.0002266100000000, 0.0039265000000000, 0.0044843200000000 ] - [ -0.0005157600000000, 0.0000869100000000, 0.0020000100000000 ] - [ 0.0038444200000000, 0.0028957200000000, -0.0051748500000000 ] - [ 0.0006168700000000, 0.0000642200000000, -0.0000593100000000 ] - [ 0.0002827200000000, -0.0004618900000000, 0.0005688000000000 ] - [ -0.0079882300000000, 0.0119213700000000, 0.0081363900000000 ] - [ -0.0007917000000000, -0.0005381300000000, 0.0001868000000000 ] - [ -0.0008121500000000, -0.0002688400000000, 0.0000701600000000 ] - [ -0.0010493700000000, 0.0006538600000000, -0.0006110100000000 ] - [ -0.0009550600000000, -0.0001538500000000, 0.0006050700000000 ] - [ 0.0000594100000000, 0.0005042200000000, 0.0007934300000000 ] - [ -0.0046511300000000, -0.0104152800000000, -0.0054407000000000 ] - [ 0.0000604100000000, -0.0000319100000000, -0.0003674900000000 ] - [ -0.0000147600000000, -0.0001863800000000, 0.0000072600000000 ] - [ 0.0003952200000000, -0.0004101000000000, -0.0000366300000000 ] - [ 0.0002491700000000, -0.0005385400000000, 0.0008733200000000 ] - [ -0.0026036500000000, 0.0012132000000000, 0.0035148700000000 ] - [ 0.0015450500000000, -0.0001339500000000, 0.0010573700000000 ] - [ 0.0008613000000000, -0.0003453600000000, -0.0006727600000000 ] - [ -0.0038961800000000, 0.0021506500000000, -0.0011753500000000 ] - [ 0.0004361800000000, 0.0005546200000000, 0.0000058200000000 ] - [ 0.0008578800000000, -0.0035029000000000, 0.0006972400000000 ] - [ 0.0074809500000000, 0.0109257500000000, -0.0054501800000000 ] - [ -0.0016898000000000, -0.0003609200000000, -0.0003365400000000 ] - [ -0.0001091200000000, 0.0003993300000000, 0.0010777100000000 ] - [ -0.0003133600000000, 0.0001707900000000, -0.0003610900000000 ] - [ 0.0000175800000000, -0.0003039200000000, -0.0002294000000000 ] - [ 0.0000006100000000, -0.0001140000000000, -0.0000120400000000 ] - [ -0.0000588000000000, -0.0002008100000000, 0.0005207000000000 ] - [ 0.0004513700000000, 0.0000537900000000, 0.0001043800000000 ] - [ -0.0001848100000000, 0.0000600000000000, -0.0003963800000000 ] - [ 0.0002916400000000, -0.0004136700000000, -0.0001857800000000 ] - [ 0.0000943800000000, 0.0000075900000000, -0.0001756800000000 ] - [ 0.0004216600000000, -0.0000286400000000, 0.0001770600000000 ] - [ -0.0000881700000000, 0.0000952000000000, 0.0005087900000000 ] - [ 0.0001808500000000, 0.0001540400000000, -0.0004421000000000 ] - [ -0.0002199700000000, -0.0000862600000000, 0.0003890400000000 ] - [ 0.0005266000000000, -0.0006122800000000, 0.0003950200000000 ] - [ 0.0005208400000000, 0.0005837600000000, 0.0004452600000000 ] - [ 0.0002105300000000, 0.0000478400000000, -0.0002387000000000 ] - [ 0.0002150200000000, -0.0001291100000000, -0.0004984600000000 ] - [ 0.0004017400000000, -0.0000701700000000, 0.0000006000000000 ] - [ 0.0005099100000000, -0.0000089900000000, 0.0000952900000000 ] - [ 0.0003728200000000, 0.0003294300000000, -0.0000608400000000 ] - [ 0.0005901500000000, -0.0000182600000000, 0.0000790900000000 ] - [ -0.0003113200000000, -0.0001770800000000, -0.0003521000000000 ] - [ 0.0005300000000000, 0.0001608800000000, -0.0002383600000000 ] - [ -0.0000189900000000, -0.0001470200000000, -0.0003156500000000 ] - [ 0.0005105000000000, 0.0004410200000000, -0.0001891400000000 ] - [ 0.0003997400000000, 0.0000684000000000, 0.0000183500000000 ] - [ 0.0002126100000000, -0.0000468600000000, -0.0002454900000000 ] - [ 0.0004354100000000, 0.0000067800000000, 0.0000971800000000 ] - [ 0.0002485900000000, -0.0003890200000000, 0.0003852500000000 ] - [ 0.0006025000000000, -0.0001896400000000, -0.0001943400000000 ] - [ 0.0005326200000000, -0.0001620700000000, -0.0002348200000000 ] - [ 0.0003007500000000, 0.0004047600000000, -0.0001618100000000 ] - [ 0.0000236800000000, 0.0003006100000000, -0.0002313600000000 ] - [ 0.0006025300000000, 0.0001886100000000, -0.0001887000000000 ] - [ 0.0002785800000000, 0.0005299400000000, 0.0007910300000000 ] - [ 0.0000261500000000, -0.0003984000000000, 0.0000726900000000 ] - [ -0.0002090300000000, -0.0000507200000000, -0.0004185200000000 ] - [ 0.0004332600000000, 0.0000594800000000, -0.0003163100000000 ] - [ 0.0002886300000000, -0.0003717500000000, -0.0001209700000000 ] - [ -0.0000075300000000, -0.0004444200000000, 0.0008348400000000 ] - [ 0.0000248900000000, 0.0004026600000000, 0.0000787700000000 ] - [ 0.0005654800000000, 0.0000167100000000, 0.0000771000000000 ] - [ 0.0004310200000000, -0.0000559600000000, -0.0003209800000000 ] - [ 0.0005269100000000, -0.0004470300000000, -0.0001836900000000 ] - [ 0.0002823300000000, 0.0004259600000000, 0.0002731200000000 ] - [ -0.0000001200000000, 0.0001153300000000, -0.0000140200000000 ] - [ 0.0001003900000000, -0.0000143900000000, -0.0001967500000000 ] - [ -0.0000135000000000, 0.0001494400000000, -0.0003183400000000 ] - [ -0.0000754200000000, 0.0002134400000000, 0.0006037200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006573500000000, -0.0002352700000000, -0.0018917800000000 ] - [ -0.0002026600000000, -0.0002614700000000, -0.0003152200000000 ] - [ -0.0004886900000000, -0.0001695700000000, 0.0004044400000000 ] - [ -0.0001653100000000, 0.0002453000000000, 0.0005980500000000 ] - [ 0.0001938900000000, 0.0001152100000000, -0.0002964400000000 ] - [ -0.0001727800000000, -0.0002471400000000, 0.0001917100000000 ] - [ 0.0001937800000000, -0.0001156600000000, -0.0002927700000000 ] - [ -0.0001798300000000, 0.0002471600000000, 0.0001962100000000 ] - [ -0.0029644500000000, 0.0008032300000000, 0.0048335400000000 ] - [ -0.0049740400000000, 0.0033075100000000, -0.0024692100000000 ] - [ -0.0000025100000000, 0.0002737400000000, -0.0000877500000000 ] - [ 0.0012163500000000, -0.0001603200000000, 0.0002833600000000 ] - [ 0.0007847100000000, 0.0002024900000000, -0.0003287100000000 ] - [ 0.0007853600000000, -0.0002004200000000, -0.0003347100000000 ] - [ 0.0006886200000000, 0.0002041700000000, 0.0000924800000000 ] - [ 0.0004980100000000, -0.0002448800000000, 0.0000683800000000 ] - [ -0.0000067700000000, -0.0001328100000000, 0.0004661800000000 ] - [ 0.0012241500000000, -0.0008966700000000, 0.0001854200000000 ] - [ 0.0010358500000000, 0.0007992400000000, 0.0007667600000000 ] - [ 0.0000850500000000, 0.0010734300000000, 0.0005458200000000 ] - [ -0.0013780900000000, -0.0005902100000000, 0.0002959500000000 ] - [ -0.0138531200000000, -0.0869871200000000, -0.0871090800000000 ] - [ 0.0114749200000000, 0.0021622400000000, 0.0026323700000000 ] - [ 0.0007080300000000, -0.0011746200000000, 0.0011362300000000 ] - [ 0.0048510300000000, -0.0018481400000000, 0.0020016000000000 ] - [ 0.0029046100000000, 0.0012332700000000, 0.0035867000000000 ] - [ -0.0015183100000000, 0.0032091300000000, -0.0007378600000000 ] - [ -0.0001850000000000, -0.0007444500000000, 0.0006757600000000 ] - [ -0.0011368300000000, 0.0002346000000000, 0.0026519200000000 ] - [ -0.0039788900000000, -0.0071551900000000, -0.0077420500000000 ] - [ 0.0010102500000000, -0.0000662700000000, -0.0004373600000000 ] - [ -0.0035349700000000, 0.0014072900000000, 0.0031680000000000 ] - [ 0.0005066400000000, -0.0000152800000000, 0.0000129200000000 ] - [ 0.0011520100000000, -0.0009130300000000, 0.0004040400000000 ] - [ 0.0011236000000000, 0.0008821900000000, 0.0006034400000000 ] - [ 0.0004102600000000, 0.0007786900000000, 0.0008426200000000 ] - [ 0.0012709000000000, 0.0000838800000000, -0.0002009900000000 ] - [ 0.0006125500000000, 0.0000081000000000, -0.0002462300000000 ] - [ 0.0007385500000000, 0.0000700400000000, -0.0000091000000000 ] - [ 0.0001613300000000, -0.0006497000000000, 0.0008555700000000 ] - [ 0.0012528200000000, -0.0000826200000000, -0.0002094200000000 ] - [ 0.0009041500000000, -0.0001988600000000, 0.0001138200000000 ] - [ 0.0005875500000000, 0.0003097700000000, -0.0002122100000000 ] - [ 0.0006336700000000, -0.0003481700000000, -0.0000660100000000 ] - [ 0.0007376500000000, -0.0000735700000000, -0.0000005600000000 ] - [ 0.0009466200000000, 0.0002077900000000, 0.0000786300000000 ] - [ 0.0004935300000000, 0.0000196500000000, -0.0000364400000000 ] - [ 0.0006156500000000, -0.0000103600000000, -0.0002168300000000 ] - [ -0.0010060500000000, 0.0000508700000000, 0.0000640400000000 ] - [ -0.0004480000000000, -0.0002523900000000, -0.0009128600000000 ] - [ 0.0002380000000000, -0.0010559700000000, -0.0013180100000000 ] - [ 0.0008348800000000, -0.0005936100000000, 0.0009066500000000 ] - [ -0.0009627300000000, -0.0001233000000000, -0.0007832400000000 ] - [ -0.0003364800000000, -0.0000270100000000, -0.0006145300000000 ] - [ 0.0013820600000000, 0.0016045300000000, 0.0025481200000000 ] - [ 0.0001315200000000, 0.0004341200000000, -0.0021427200000000 ] - [ 0.0002394400000000, 0.0000272000000000, 0.0000062200000000 ] - [ -0.0006260600000000, 0.0002554300000000, 0.0002406900000000 ] - [ -0.0002654400000000, -0.0000379300000000, -0.0007326000000000 ] - [ -0.0008543800000000, -0.0005853300000000, 0.0002866200000000 ] - [ 0.0001990200000000, -0.0005802500000000, 0.0006551700000000 ] - [ 0.0000663800000000, 0.0008478400000000, 0.0001419800000000 ] - [ 0.0007948100000000, -0.0001804000000000, -0.0023138000000000 ] - [ -0.0003333800000000, 0.0000047400000000, -0.0002494600000000 ] - [ 0.0152237900000000, 0.1073843800000000, 0.0934726900000000 ] - [ 0.0004660100000000, 0.0002596900000000, 0.0011576300000000 ] - [ 0.0000218400000000, 0.0004408100000000, 0.0000215200000000 ] - [ 0.0006800100000000, 0.0000545900000000, 0.0003184000000000 ] - [ -0.0005252700000000, -0.0000884800000000, -0.0007002100000000 ] - [ -0.0112696400000000, -0.0051815700000000, -0.0066690900000000 ] - [ -0.0011171100000000, -0.0001351300000000, -0.0018558600000000 ] - [ 0.0001105200000000, -0.0032237600000000, -0.0050321300000000 ] - [ 0.0008541600000000, 0.0002733500000000, -0.0019966900000000 ] - [ -0.0038223600000000, -0.0029663200000000, 0.0047704100000000 ] - [ -0.0001419700000000, -0.0001144300000000, 0.0003975500000000 ] - [ -0.0002182400000000, -0.0005559800000000, 0.0001517800000000 ] - [ 0.0085065000000000, -0.0119873600000000, -0.0083827600000000 ] - [ 0.0010805300000000, 0.0002486200000000, -0.0008880900000000 ] - [ 0.0007339700000000, 0.0007164000000000, -0.0001888700000000 ] - [ 0.0004785600000000, 0.0002865900000000, 0.0002939100000000 ] - [ 0.0015837200000000, 0.0003315400000000, -0.0010367500000000 ] - [ -0.0004333500000000, 0.0001916800000000, 0.0007287800000000 ] - [ 0.0041859400000000, 0.0093713900000000, 0.0056326800000000 ] - [ -0.0009065100000000, -0.0000214900000000, -0.0006079000000000 ] - [ 0.0003999800000000, 0.0000980400000000, -0.0005305300000000 ] - [ -0.0001341200000000, -0.0003929900000000, -0.0000747000000000 ] - [ -0.0006178300000000, -0.0001595800000000, 0.0006483500000000 ] - [ 0.0022149200000000, -0.0002970200000000, -0.0032639300000000 ] - [ -0.0013412600000000, 0.0001819100000000, -0.0011855200000000 ] - [ -0.0004782500000000, 0.0004338100000000, 0.0001488000000000 ] - [ 0.0042435700000000, -0.0028441300000000, 0.0005750600000000 ] - [ -0.0003710100000000, 0.0004657200000000, 0.0007146800000000 ] - [ -0.0011654800000000, 0.0037967600000000, -0.0007170000000000 ] - [ -0.0073990400000000, -0.0108686200000000, 0.0050398300000000 ] - [ 0.0010105200000000, 0.0003883700000000, -0.0002077400000000 ] - [ -0.0003643700000000, -0.0001242200000000, 0.0000731600000000 ] - [ -0.0007328700000000, 0.0000970900000000, -0.0003327200000000 ] - [ -0.0005894100000000, -0.0006349400000000, -0.0000909600000000 ] - [ -0.0003314300000000, -0.0001199500000000, -0.0000314400000000 ] - [ -0.0004168800000000, -0.0000729800000000, 0.0006285600000000 ] - [ -0.0001777200000000, 0.0003892500000000, 0.0003121500000000 ] - [ -0.0006606500000000, -0.0000063400000000, -0.0005784600000000 ] - [ -0.0003743500000000, -0.0000294500000000, 0.0000594300000000 ] - [ -0.0002262200000000, 0.0001166400000000, -0.0001417300000000 ] - [ 0.0000541800000000, 0.0000787200000000, 0.0001604300000000 ] - [ -0.0009732500000000, 0.0002828700000000, 0.0001938200000000 ] - [ -0.0002778200000000, -0.0000382400000000, -0.0005296000000000 ] - [ -0.0008409800000000, -0.0002915000000000, 0.0003141100000000 ] - [ 0.0001356500000000, -0.0006934700000000, 0.0004160300000000 ] - [ 0.0001419300000000, 0.0007214200000000, 0.0003667700000000 ] - [ -0.0001450900000000, 0.0000385500000000, -0.0001920700000000 ] - [ -0.0003128600000000, 0.0000132600000000, -0.0004737500000000 ] - [ -0.0000697700000000, -0.0002889000000000, 0.0000102000000000 ] - [ -0.0002363500000000, -0.0004341800000000, 0.0003214400000000 ] - [ -0.0001133300000000, 0.0004737200000000, -0.0000496700000000 ] - [ -0.0003834100000000, -0.0000284700000000, -0.0002014100000000 ] - [ -0.0007345900000000, -0.0000908800000000, -0.0003422800000000 ] - [ -0.0002514000000000, 0.0001246400000000, -0.0004700800000000 ] - [ -0.0006580900000000, 0.0001176300000000, -0.0002327800000000 ] - [ -0.0001826900000000, 0.0002238000000000, -0.0004044100000000 ] - [ -0.0000678900000000, 0.0002909100000000, -0.0000073900000000 ] - [ -0.0001473600000000, -0.0000393500000000, -0.0001848900000000 ] - [ 0.0000401700000000, -0.0000571400000000, 0.0002408000000000 ] - [ -0.0001856600000000, -0.0006286700000000, 0.0003368200000000 ] - [ 0.0000181400000000, 0.0000118600000000, -0.0002347400000000 ] - [ -0.0002544200000000, -0.0001236400000000, -0.0004735700000000 ] - [ -0.0003831200000000, 0.0000381800000000, 0.0000348800000000 ] - [ -0.0005954800000000, 0.0006381900000000, -0.0000894400000000 ] - [ 0.0000181600000000, -0.0000109200000000, -0.0002404800000000 ] - [ -0.0006492500000000, 0.0001668100000000, 0.0007311300000000 ] - [ -0.0004257900000000, -0.0005197100000000, 0.0002020600000000 ] - [ -0.0006370800000000, -0.0000028500000000, -0.0005559200000000 ] - [ -0.0000495600000000, -0.0001481100000000, -0.0002073000000000 ] - [ -0.0000290800000000, -0.0004315700000000, 0.0000108300000000 ] - [ -0.0003624400000000, -0.0002527200000000, 0.0006870600000000 ] - [ -0.0004248400000000, 0.0005153400000000, 0.0001958900000000 ] - [ -0.0003579200000000, 0.0000304700000000, -0.0001996300000000 ] - [ -0.0000478500000000, 0.0001445700000000, -0.0002029100000000 ] - [ -0.0001988400000000, -0.0002182700000000, -0.0004093200000000 ] - [ -0.0002195900000000, 0.0005916000000000, 0.0004489200000000 ] - [ -0.0003314400000000, 0.0001189600000000, -0.0000297000000000 ] - [ -0.0002322600000000, -0.0001098400000000, -0.0001203200000000 ] - [ -0.0006635900000000, -0.0001201700000000, -0.0002302500000000 ] - [ -0.0004003700000000, 0.0000603300000000, 0.0005449900000000 ]- atom: 65 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0007068900000000, 0.0005044500000000, 0.0022388200000000 ] - [ -0.0000655000000000, -0.0002160200000000, 0.0008185900000000 ] - [ 0.0005250800000000, 0.0001196700000000, -0.0016705100000000 ] - [ -0.0004502500000000, 0.0002838500000000, -0.0004738400000000 ] - [ 0.0000004500000000, 0.0001169500000000, -0.0002681000000000 ] - [ -0.0003469100000000, -0.0002542100000000, 0.0002337500000000 ] - [ -0.0000336100000000, -0.0001197200000000, -0.0003284100000000 ] - [ -0.0003522000000000, 0.0002655100000000, 0.0000937700000000 ] - [ -0.0005307800000000, -0.0009223200000000, -0.0089476000000000 ] - [ 0.0098022500000000, 0.0003393800000000, 0.0000347400000000 ] - [ 0.0008330100000000, 0.0001708000000000, 0.0003600300000000 ] - [ -0.0010538700000000, -0.0003615000000000, -0.0001379300000000 ] - [ 0.0001473800000000, 0.0001498600000000, -0.0003733300000000 ] - [ 0.0000607400000000, -0.0001525300000000, -0.0003266900000000 ] - [ -0.0010873600000000, 0.0004041300000000, 0.0004869700000000 ] - [ 0.0006727300000000, -0.0001748500000000, -0.0006620500000000 ] - [ 0.0006831000000000, 0.0001506400000000, -0.0008172100000000 ] - [ 0.0005210200000000, -0.0007455100000000, 0.0008621300000000 ] - [ 0.0007462800000000, 0.0008834900000000, -0.0000347600000000 ] - [ 0.0044983200000000, 0.0021711100000000, 0.0026183500000000 ] - [ 0.0042543000000000, 0.0005291200000000, -0.0009713000000000 ] - [ 0.0089369100000000, 0.0845796100000000, 0.1520896800000000 ] - [ -0.0152814100000000, -0.0062374000000000, 0.0092714500000000 ] - [ -0.0033723500000000, 0.0003374800000000, -0.0006442300000000 ] - [ -0.0048180400000000, 0.0016926100000000, -0.0019780800000000 ] - [ -0.0071983200000000, -0.0009609200000000, -0.0079045900000000 ] - [ -0.0046717000000000, 0.0033808600000000, 0.0120045500000000 ] - [ 0.0014122300000000, 0.0004502800000000, -0.0058367500000000 ] - [ 0.0030014800000000, -0.0014390200000000, -0.0118093500000000 ] - [ 0.0064088300000000, 0.0131631200000000, 0.0006814100000000 ] - [ -0.0006968800000000, 0.0002661000000000, 0.0006878400000000 ] - [ 0.0011994700000000, 0.0000550900000000, -0.0098942800000000 ] - [ -0.0002476300000000, -0.0000794700000000, -0.0002294900000000 ] - [ 0.0010288300000000, -0.0009577200000000, 0.0018908300000000 ] - [ 0.0001535800000000, 0.0007102500000000, -0.0008026700000000 ] - [ -0.0004755300000000, 0.0004798200000000, 0.0008531000000000 ] - [ 0.0002569300000000, -0.0000377800000000, -0.0001275100000000 ] - [ 0.0000465100000000, 0.0000855800000000, -0.0001986500000000 ] - [ 0.0002222800000000, -0.0000701800000000, -0.0000661000000000 ] - [ -0.0001061300000000, -0.0006686000000000, 0.0008110400000000 ] - [ 0.0005427100000000, 0.0000267000000000, -0.0002174300000000 ] - [ 0.0003674500000000, -0.0002273700000000, 0.0001599900000000 ] - [ 0.0000679200000000, 0.0003767300000000, 0.0000906000000000 ] - [ -0.0000115000000000, -0.0003175100000000, -0.0001318600000000 ] - [ 0.0001695900000000, 0.0000943800000000, -0.0001372000000000 ] - [ 0.0003177900000000, 0.0002125200000000, 0.0002202800000000 ] - [ 0.0002686600000000, 0.0000140200000000, 0.0001862400000000 ] - [ 0.0000528400000000, -0.0000838900000000, -0.0002683400000000 ] - [ -0.0003029500000000, 0.0000989200000000, -0.0010262300000000 ] - [ 0.0003882200000000, -0.0004097600000000, 0.0011115700000000 ] - [ -0.0020084700000000, 0.0005271200000000, 0.0037779400000000 ] - [ -0.0019710600000000, 0.0020917400000000, -0.0044565200000000 ] - [ 0.0029975500000000, -0.0004053100000000, 0.0011049900000000 ] - [ -0.0008839300000000, 0.0000791600000000, -0.0003838200000000 ] - [ 0.0101783500000000, -0.0050684700000000, -0.0007388600000000 ] - [ 0.0003806500000000, -0.0012552800000000, 0.0042150800000000 ] - [ -0.0000399500000000, 0.0000799400000000, 0.0004799900000000 ] - [ -0.0005003300000000, -0.0001136200000000, 0.0012789700000000 ] - [ -0.0000791800000000, 0.0000879600000000, -0.0001313500000000 ] - [ 0.0010350700000000, -0.0003206500000000, -0.0006818600000000 ] - [ 0.0002357700000000, -0.0008404200000000, 0.0000330000000000 ] - [ 0.0004532500000000, 0.0004378300000000, 0.0007962700000000 ] - [ -0.0017590500000000, 0.0005394900000000, 0.0048560700000000 ] - [ -0.0000228200000000, -0.0000302500000000, -0.0008523400000000 ] - [ -0.0075510200000000, -0.0982026900000000, -0.1761230900000000 ] - [ -0.0060257400000000, -0.0090851700000000, 0.0034839800000000 ] - [ -0.0006372700000000, 0.0004657100000000, 0.0000742400000000 ] - [ -0.0014790300000000, -0.0000957800000000, -0.0007977200000000 ] - [ -0.0007654600000000, -0.0001518700000000, 0.0002559800000000 ] - [ 0.0121441100000000, 0.0048348200000000, 0.0048983800000000 ] - [ 0.0008348700000000, -0.0000278900000000, 0.0013867600000000 ] - [ 0.0026256500000000, 0.0050419500000000, 0.0072878400000000 ] - [ 0.0012041500000000, -0.0018285600000000, 0.0050450700000000 ] - [ -0.0005744400000000, -0.0000656900000000, -0.0107793200000000 ] - [ 0.0005177100000000, 0.0000327800000000, -0.0001399600000000 ] - [ 0.0005566000000000, -0.0002944600000000, 0.0016045200000000 ] - [ -0.0080109400000000, 0.0073525800000000, -0.0040476900000000 ] - [ -0.0012592700000000, -0.0005039600000000, 0.0006814000000000 ] - [ -0.0016508600000000, -0.0001505200000000, 0.0032569700000000 ] - [ -0.0019776900000000, 0.0010124000000000, -0.0004167500000000 ] - [ 0.0004436400000000, -0.0000027800000000, 0.0024810100000000 ] - [ -0.0018162900000000, -0.0002950200000000, 0.0003342300000000 ] - [ -0.0046032700000000, 0.0017240700000000, 0.0179536800000000 ] - [ -0.0000129900000000, 0.0000539100000000, -0.0005516800000000 ] - [ -0.0004961200000000, -0.0004420000000000, 0.0002975800000000 ] - [ 0.0007335400000000, -0.0003935800000000, -0.0001635500000000 ] - [ 0.0007628800000000, -0.0007789400000000, 0.0010712600000000 ] - [ -0.0016625200000000, 0.0020824300000000, 0.0039061700000000 ] - [ 0.0017325500000000, -0.0001469100000000, 0.0012146800000000 ] - [ 0.0009004200000000, -0.0004133000000000, -0.0009198800000000 ] - [ 0.0000799500000000, -0.0016300900000000, 0.0021878100000000 ] - [ -0.0003394800000000, 0.0007567600000000, -0.0014897600000000 ] - [ 0.0065997800000000, 0.0010249500000000, 0.0034028900000000 ] - [ -0.0013059200000000, -0.0040008500000000, -0.0084847400000000 ] - [ -0.0025286100000000, -0.0007918100000000, -0.0001861800000000 ] - [ 0.0001845400000000, 0.0014598200000000, 0.0035350500000000 ] - [ -0.0005824100000000, 0.0000975400000000, -0.0003800700000000 ] - [ -0.0003203400000000, -0.0004898300000000, -0.0001336200000000 ] - [ -0.0001500800000000, -0.0001131700000000, -0.0000142700000000 ] - [ -0.0002246000000000, -0.0001262500000000, 0.0005079300000000 ] - [ 0.0001008000000000, 0.0002507900000000, 0.0002132500000000 ] - [ -0.0002687200000000, 0.0000632300000000, -0.0004450000000000 ] - [ -0.0000447300000000, -0.0002299500000000, -0.0000816400000000 ] - [ -0.0000666800000000, 0.0000540700000000, -0.0001382000000000 ] - [ 0.0003109800000000, -0.0000655000000000, 0.0004719000000000 ] - [ -0.0004190300000000, 0.0001928200000000, 0.0004427800000000 ] - [ 0.0000746700000000, 0.0002417400000000, -0.0001428400000000 ] - [ -0.0006328000000000, -0.0001806800000000, 0.0002619400000000 ] - [ 0.0002960300000000, -0.0008861500000000, -0.0000509800000000 ] - [ 0.0003922500000000, 0.0004522400000000, 0.0008620400000000 ] - [ 0.0000315700000000, 0.0000455400000000, -0.0001828500000000 ] - [ -0.0000471000000000, 0.0001829400000000, -0.0008977300000000 ] - [ 0.0001664700000000, -0.0001870700000000, -0.0000189700000000 ] - [ 0.0001835400000000, -0.0001865300000000, 0.0001990600000000 ] - [ 0.0001998000000000, 0.0003645700000000, -0.0000177600000000 ] - [ 0.0002411300000000, -0.0000387900000000, -0.0001130400000000 ] - [ -0.0004591800000000, -0.0001631600000000, -0.0003203700000000 ] - [ 0.0001109600000000, 0.0001368300000000, -0.0003672000000000 ] - [ -0.0003753100000000, 0.0000016800000000, -0.0002340400000000 ] - [ 0.0001650500000000, 0.0003296700000000, -0.0002986800000000 ] - [ 0.0001732100000000, 0.0001695500000000, 0.0000295100000000 ] - [ 0.0000357900000000, -0.0000411100000000, -0.0002473900000000 ] - [ 0.0001789700000000, -0.0001781900000000, -0.0001910000000000 ] - [ 0.0000149200000000, -0.0004732300000000, 0.0004530800000000 ] - [ 0.0003183000000000, -0.0000919600000000, -0.0002273400000000 ] - [ 0.0001778700000000, -0.0001475100000000, -0.0003374300000000 ] - [ -0.0000288400000000, 0.0002177900000000, -0.0000458500000000 ] - [ -0.0002376400000000, 0.0004402400000000, -0.0001879100000000 ] - [ 0.0003095100000000, 0.0000868200000000, -0.0002026300000000 ] - [ 0.0000303000000000, 0.0004165600000000, 0.0007228100000000 ] - [ -0.0001880000000000, -0.0004504900000000, 0.0001272900000000 ] - [ -0.0006115800000000, 0.0000041400000000, -0.0005178200000000 ] - [ 0.0002622200000000, -0.0000089200000000, -0.0002611600000000 ] - [ 0.0000654700000000, -0.0004366300000000, -0.0000959400000000 ] - [ -0.0003942300000000, -0.0002864200000000, 0.0008064700000000 ] - [ -0.0002054300000000, 0.0004671000000000, 0.0001479900000000 ] - [ 0.0000152500000000, 0.0000108700000000, -0.0000072000000000 ] - [ 0.0001218800000000, 0.0000819300000000, -0.0002610300000000 ] - [ 0.0001721300000000, -0.0003373800000000, -0.0002923100000000 ] - [ 0.0000556000000000, 0.0005391400000000, 0.0002714800000000 ] - [ -0.0001783500000000, 0.0001242500000000, -0.0000284100000000 ] - [ -0.0000599500000000, -0.0000668700000000, -0.0001774100000000 ] - [ -0.0002937200000000, 0.0000396200000000, -0.0003157300000000 ] - [ -0.0002460800000000, 0.0001477900000000, 0.0006383200000000 ]- atom: 65 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0007522200000000, -0.0002620400000000, -0.0028374400000000 ] - [ -0.0006254000000000, -0.0003027200000000, -0.0004843300000000 ] - [ -0.0005502100000000, -0.0003561500000000, 0.0010710500000000 ] - [ -0.0002342400000000, 0.0002338600000000, 0.0008059600000000 ] - [ -0.0000306400000000, 0.0001196900000000, -0.0003293400000000 ] - [ -0.0003390600000000, -0.0002643600000000, 0.0000986000000000 ] - [ 0.0000035300000000, -0.0001175600000000, -0.0002689600000000 ] - [ -0.0003340900000000, 0.0002524500000000, 0.0002388000000000 ] - [ 0.0007609500000000, 0.0012315700000000, 0.0082299600000000 ] - [ -0.0095815800000000, -0.0006294600000000, -0.0006477200000000 ] - [ -0.0010214100000000, 0.0003389100000000, -0.0001590900000000 ] - [ 0.0008674500000000, -0.0001471000000000, 0.0003364100000000 ] - [ 0.0000716800000000, 0.0001541000000000, -0.0003256200000000 ] - [ 0.0001583600000000, -0.0001511500000000, -0.0003727000000000 ] - [ 0.0009046300000000, 0.0001037500000000, -0.0002861200000000 ] - [ -0.0008643100000000, -0.0003354300000000, 0.0008629200000000 ] - [ -0.0007073800000000, -0.0002506000000000, 0.0007236500000000 ] - [ 0.0007352800000000, -0.0008703900000000, -0.0000349500000000 ] - [ 0.0005113700000000, 0.0007326100000000, 0.0008625900000000 ] - [ -0.0051005700000000, -0.0010400700000000, -0.0009883700000000 ] - [ -0.0034211300000000, -0.0005781400000000, 0.0006547500000000 ] - [ -0.0081904000000000, -0.0785517000000000, -0.1453454400000000 ] - [ 0.0157182300000000, 0.0059095900000000, -0.0097295200000000 ] - [ 0.0027989900000000, -0.0014875400000000, 0.0023192800000000 ] - [ 0.0056574700000000, -0.0016477500000000, 0.0016474000000000 ] - [ 0.0078767900000000, 0.0005430700000000, 0.0082988500000000 ] - [ 0.0048097600000000, -0.0027053600000000, -0.0120120500000000 ] - [ -0.0013547600000000, -0.0011376600000000, 0.0058125300000000 ] - [ -0.0025480300000000, 0.0015679400000000, 0.0115337300000000 ] - [ -0.0056686200000000, -0.0128290800000000, -0.0005722400000000 ] - [ 0.0006683400000000, -0.0001659900000000, -0.0007858600000000 ] - [ -0.0010738100000000, -0.0002375400000000, 0.0094332700000000 ] - [ 0.0002221600000000, -0.0000211800000000, 0.0001347000000000 ] - [ 0.0002317200000000, -0.0006587300000000, -0.0010680500000000 ] - [ 0.0011028700000000, 0.0009062200000000, 0.0016344100000000 ] - [ -0.0000974100000000, 0.0006702300000000, 0.0008119700000000 ] - [ 0.0005699700000000, -0.0000128100000000, -0.0002018900000000 ] - [ 0.0000622800000000, 0.0000838100000000, -0.0002677600000000 ] - [ 0.0001776600000000, -0.0000907900000000, -0.0001353300000000 ] - [ -0.0004669700000000, -0.0004816100000000, 0.0008548500000000 ] - [ 0.0002830900000000, 0.0000239300000000, -0.0001121600000000 ] - [ 0.0003265300000000, -0.0002092100000000, 0.0002187100000000 ] - [ -0.0000007000000000, 0.0003137900000000, -0.0001341300000000 ] - [ 0.0000790200000000, -0.0003731700000000, 0.0000885700000000 ] - [ 0.0002308000000000, 0.0000662300000000, -0.0000636600000000 ] - [ 0.0003761400000000, 0.0002240500000000, 0.0001580200000000 ] - [ -0.0002952700000000, 0.0000868300000000, -0.0002834700000000 ] - [ 0.0000561000000000, -0.0000855800000000, -0.0001982500000000 ] - [ -0.0007362200000000, 0.0001738400000000, 0.0003354500000000 ] - [ -0.0009582400000000, -0.0005277100000000, -0.0014311500000000 ] - [ 0.0016430400000000, -0.0007875000000000, -0.0037969400000000 ] - [ 0.0014650800000000, -0.0023583400000000, 0.0056211400000000 ] - [ -0.0027080000000000, 0.0008407100000000, -0.0007023800000000 ] - [ 0.0000420900000000, -0.0000259000000000, -0.0005934000000000 ] - [ -0.0102161300000000, 0.0046230300000000, 0.0006176800000000 ] - [ -0.0005104800000000, 0.0013754400000000, -0.0045321500000000 ] - [ 0.0005196700000000, -0.0000322100000000, -0.0001426900000000 ] - [ -0.0005522800000000, 0.0004863000000000, -0.0005742200000000 ] - [ -0.0000144200000000, 0.0000290200000000, -0.0008412900000000 ] - [ -0.0020925300000000, -0.0000571300000000, 0.0013842700000000 ] - [ 0.0004309200000000, -0.0004623000000000, 0.0007787300000000 ] - [ 0.0002127600000000, 0.0008651400000000, 0.0000155400000000 ] - [ 0.0018061300000000, -0.0004551700000000, -0.0052660100000000 ] - [ -0.0000696500000000, -0.0000871000000000, -0.0001206200000000 ] - [ 0.0074130300000000, 0.0920555000000000, 0.1690048200000000 ] - [ 0.0063951900000000, 0.0087773500000000, -0.0031182900000000 ] - [ 0.0009033000000000, 0.0003380000000000, -0.0001867400000000 ] - [ 0.0016936600000000, 0.0000479500000000, 0.0006727900000000 ] - [ -0.0002790200000000, -0.0001194900000000, -0.0009507700000000 ] - [ -0.0119529300000000, -0.0045853200000000, -0.0056657400000000 ] - [ -0.0015168900000000, -0.0000042500000000, -0.0019408000000000 ] - [ -0.0022987600000000, -0.0043529300000000, -0.0078568100000000 ] - [ -0.0008706300000000, 0.0021896800000000, -0.0050371800000000 ] - [ 0.0007067100000000, 0.0000923400000000, 0.0103984500000000 ] - [ -0.0000376200000000, -0.0000798200000000, 0.0004785100000000 ] - [ -0.0004921000000000, -0.0007210200000000, -0.0008860700000000 ] - [ 0.0085640300000000, -0.0075289200000000, 0.0034796800000000 ] - [ 0.0015239700000000, 0.0002323100000000, -0.0013985500000000 ] - [ 0.0015733900000000, 0.0005892200000000, -0.0033939700000000 ] - [ 0.0014102500000000, -0.0000825400000000, 0.0000854300000000 ] - [ 0.0001722800000000, 0.0001793900000000, -0.0029119100000000 ] - [ 0.0014623200000000, 0.0009991500000000, 0.0011982600000000 ] - [ 0.0040976300000000, -0.0025623100000000, -0.0172607900000000 ] - [ -0.0008292400000000, -0.0001093400000000, -0.0004207800000000 ] - [ 0.0008820900000000, 0.0003568000000000, -0.0008230800000000 ] - [ -0.0004718600000000, -0.0004066900000000, 0.0000467400000000 ] - [ -0.0011295000000000, 0.0000801100000000, 0.0004522000000000 ] - [ 0.0012519100000000, -0.0011645500000000, -0.0036132200000000 ] - [ -0.0015242800000000, 0.0001953200000000, -0.0013413200000000 ] - [ -0.0005124300000000, 0.0005001100000000, 0.0003989200000000 ] - [ 0.0002427000000000, 0.0009929000000000, -0.0027924900000000 ] - [ 0.0004015000000000, 0.0002580800000000, 0.0022271100000000 ] - [ -0.0070179700000000, -0.0007910400000000, -0.0034387800000000 ] - [ 0.0010880600000000, 0.0037937900000000, 0.0082842700000000 ] - [ 0.0018548200000000, 0.0008299300000000, -0.0003734100000000 ] - [ -0.0006584400000000, -0.0011916800000000, -0.0023997200000000 ] - [ -0.0004602400000000, 0.0001738000000000, -0.0003126300000000 ] - [ -0.0002479700000000, -0.0004458700000000, -0.0001884400000000 ] - [ -0.0001807200000000, -0.0001234500000000, -0.0000277500000000 ] - [ -0.0002496900000000, -0.0001455200000000, 0.0006375100000000 ] - [ 0.0001788300000000, 0.0001886600000000, 0.0001991500000000 ] - [ -0.0005737600000000, -0.0000091400000000, -0.0005306300000000 ] - [ -0.0000360700000000, -0.0002134700000000, -0.0000425600000000 ] - [ -0.0000632100000000, 0.0000670000000000, -0.0001754400000000 ] - [ 0.0001690900000000, 0.0001132400000000, -0.0001359600000000 ] - [ -0.0006374400000000, 0.0001816600000000, 0.0002625400000000 ] - [ -0.0001674900000000, -0.0001250000000000, -0.0008311700000000 ] - [ -0.0004227900000000, -0.0001932700000000, 0.0004436000000000 ] - [ 0.0003699100000000, -0.0004159700000000, 0.0008640300000000 ] - [ 0.0002743700000000, 0.0008509500000000, -0.0000516400000000 ] - [ 0.0000325100000000, 0.0000408600000000, -0.0002482000000000 ] - [ -0.0000467000000000, -0.0003003900000000, -0.0000739000000000 ] - [ 0.0001689300000000, -0.0001721000000000, 0.0000284800000000 ] - [ 0.0000961600000000, -0.0002528500000000, 0.0002136800000000 ] - [ 0.0000621000000000, 0.0004369100000000, -0.0000959400000000 ] - [ -0.0000283300000000, -0.0000086300000000, -0.0000099000000000 ] - [ -0.0005836400000000, -0.0001078200000000, -0.0003732400000000 ] - [ 0.0001700900000000, 0.0001479200000000, -0.0003397400000000 ] - [ -0.0003002800000000, -0.0000335600000000, -0.0003166900000000 ] - [ 0.0001653400000000, 0.0003342200000000, -0.0002945100000000 ] - [ 0.0001619400000000, 0.0001900400000000, -0.0000199100000000 ] - [ 0.0000280500000000, -0.0000450300000000, -0.0001828500000000 ] - [ 0.0003009100000000, 0.0001321300000000, 0.0005313600000000 ] - [ 0.0000495200000000, -0.0005420800000000, 0.0002710000000000 ] - [ 0.0003046500000000, -0.0000852000000000, -0.0002039400000000 ] - [ 0.0001025200000000, -0.0001372100000000, -0.0003696500000000 ] - [ -0.0000515900000000, 0.0002255300000000, -0.0000788700000000 ] - [ -0.0003308200000000, 0.0004955700000000, -0.0001342700000000 ] - [ 0.0003135800000000, 0.0000904000000000, -0.0002288500000000 ] - [ -0.0003957800000000, 0.0002824300000000, 0.0008034000000000 ] - [ -0.0002092100000000, -0.0004682500000000, 0.0001505500000000 ] - [ -0.0002299100000000, -0.0000584200000000, -0.0004568800000000 ] - [ 0.0001248600000000, -0.0000775600000000, -0.0002627200000000 ] - [ 0.0001966700000000, -0.0003646800000000, -0.0000181200000000 ] - [ 0.0000286400000000, -0.0004126300000000, 0.0007187400000000 ] - [ -0.0001919800000000, 0.0004515700000000, 0.0001297000000000 ] - [ 0.0001995700000000, 0.0000372500000000, -0.0001162400000000 ] - [ 0.0002652200000000, 0.0000042700000000, -0.0002630800000000 ] - [ 0.0001587100000000, -0.0003269200000000, -0.0003002700000000 ] - [ 0.0000091800000000, 0.0004757900000000, 0.0004528200000000 ] - [ -0.0001530800000000, 0.0001128700000000, -0.0000138100000000 ] - [ -0.0000698800000000, -0.0000541000000000, -0.0001359100000000 ] - [ -0.0003822000000000, -0.0000079400000000, -0.0002348600000000 ] - [ -0.0002284400000000, 0.0001240900000000, 0.0005067400000000 ]- atom: 67 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0004223300000000, 0.0001270500000000, -0.0002657300000000 ] - [ -0.0006456400000000, -0.0002801000000000, 0.0001333900000000 ] - [ -0.0003504500000000, -0.0001248200000000, -0.0003385300000000 ] - [ -0.0006435000000000, 0.0002825200000000, 0.0000970200000000 ] - [ -0.0003435000000000, 0.0001285000000000, -0.0004157200000000 ] - [ -0.0001957300000000, -0.0002581400000000, 0.0000281900000000 ] - [ -0.0004304200000000, -0.0001159700000000, -0.0001763000000000 ] - [ -0.0011113800000000, 0.0001169200000000, 0.0003557200000000 ] - [ -0.0014552000000000, -0.0001291700000000, -0.0008727400000000 ] - [ -0.0008663600000000, -0.0001998100000000, -0.0000363500000000 ] - [ -0.0013481600000000, 0.0003190200000000, 0.0000994800000000 ] - [ -0.0013994400000000, -0.0003232400000000, 0.0000837300000000 ] - [ -0.0014291500000000, 0.0000515300000000, -0.0003679100000000 ] - [ -0.0008193900000000, -0.0000643900000000, -0.0004025300000000 ] - [ 0.0032991700000000, -0.0004062300000000, 0.0021676200000000 ] - [ 0.0029828200000000, 0.0050371300000000, -0.0010490600000000 ] - [ -0.0009074900000000, -0.0001068500000000, -0.0001264500000000 ] - [ -0.0002872600000000, -0.0007298100000000, 0.0003064200000000 ] - [ -0.0002755900000000, 0.0007343700000000, 0.0002895100000000 ] - [ 0.0993513700000000, -0.0786713800000000, -0.0644301400000000 ] - [ -0.0010208800000000, -0.0001981800000000, -0.0000528000000000 ] - [ -0.0011391600000000, 0.0004171000000000, 0.0012712200000000 ] - [ -0.0010839600000000, -0.0002615900000000, -0.0001784500000000 ] - [ 0.0033758200000000, -0.0008986900000000, 0.0027738000000000 ] - [ -0.0012333600000000, 0.0002479400000000, -0.0001542800000000 ] - [ 0.0012266800000000, -0.0004291400000000, 0.0002672600000000 ] - [ 0.0031107000000000, -0.0026225700000000, 0.0070305100000000 ] - [ 0.0058596700000000, -0.0008947200000000, -0.0033892800000000 ] - [ -0.0004222100000000, 0.0003773400000000, -0.0002730900000000 ] - [ -0.0031387600000000, -0.0016939900000000, 0.0024319700000000 ] - [ -0.0009570200000000, 0.0001147100000000, -0.0000975400000000 ] - [ -0.0001727900000000, 0.0004489500000000, -0.0017674000000000 ] - [ -0.0011726300000000, 0.0004031800000000, 0.0020148600000000 ] - [ 0.0097044000000000, -0.0017584400000000, -0.0037926200000000 ] - [ 0.0055275300000000, -0.0022097900000000, 0.0118356400000000 ] - [ -0.0013339900000000, 0.0003153900000000, 0.0008016700000000 ] - [ -0.0002514000000000, -0.0000975900000000, 0.0004617600000000 ] - [ -0.0008935700000000, 0.0002017200000000, -0.0003031400000000 ] - [ -0.0008776000000000, -0.0004598100000000, -0.0005255200000000 ] - [ -0.0013089200000000, -0.0003274300000000, 0.0008093200000000 ] - [ -0.0024027800000000, 0.0004075200000000, -0.0010157400000000 ] - [ -0.0006659500000000, -0.0002417900000000, 0.0003892900000000 ] - [ -0.0010057000000000, 0.0003736500000000, 0.0001743400000000 ] - [ -0.0010188600000000, -0.0003789400000000, 0.0002053300000000 ] - [ -0.0006737300000000, 0.0002590800000000, -0.0000253700000000 ] - [ -0.0007400600000000, 0.0002554700000000, 0.0003246900000000 ] - [ 0.0005695100000000, -0.0002535900000000, -0.0033532000000000 ] - [ -0.0010362600000000, -0.0002407700000000, -0.0001695800000000 ] - [ -0.0001266700000000, 0.0002086700000000, -0.0003768400000000 ] - [ 0.0002985700000000, -0.0001412500000000, -0.0002621600000000 ] - [ 0.0000744600000000, -0.0001006500000000, -0.0000562500000000 ] - [ 0.0010419300000000, 0.0002803700000000, -0.0088353100000000 ] - [ -0.0009838100000000, 0.0010829500000000, -0.0001088400000000 ] - [ -0.0000209400000000, 0.0000818200000000, -0.0003421600000000 ] - [ 0.0003838400000000, -0.0002244100000000, -0.0019827800000000 ] - [ -0.0003296200000000, 0.0002013200000000, 0.0000373000000000 ] - [ 0.0005746900000000, -0.0000527400000000, 0.0001120200000000 ] - [ -0.0066572600000000, -0.0015977100000000, 0.0004261200000000 ] - [ 0.0004075200000000, 0.0002008000000000, -0.0004568900000000 ] - [ -0.0041862400000000, -0.0012981700000000, -0.0018655600000000 ] - [ 0.0006801400000000, -0.0005598300000000, 0.0004071900000000 ] - [ 0.0006847500000000, 0.0005498900000000, 0.0004263400000000 ] - [ 0.0002720600000000, 0.0000768800000000, -0.0001208300000000 ] - [ 0.0004117400000000, -0.0002004800000000, -0.0004753000000000 ] - [ 0.0007859600000000, -0.0000719200000000, -0.0007531700000000 ] - [ 0.0066057400000000, 0.0026173600000000, -0.0030014200000000 ] - [ -0.0990908000000000, 0.0836889800000000, 0.0700590100000000 ] - [ 0.0009439900000000, -0.0000186700000000, 0.0001610600000000 ] - [ -0.0001534900000000, -0.0002052300000000, -0.0003518800000000 ] - [ 0.0010405200000000, 0.0001140500000000, -0.0001334600000000 ] - [ 0.0002646600000000, -0.0002695500000000, -0.0003146300000000 ] - [ -0.0000775600000000, 0.0001128100000000, -0.0005935600000000 ] - [ 0.0003373500000000, -0.0000843400000000, 0.0006082800000000 ] - [ 0.0004339200000000, -0.0000133300000000, -0.0004239000000000 ] - [ 0.0005910000000000, 0.0000574500000000, 0.0000986000000000 ] - [ -0.0026020300000000, -0.0023196500000000, -0.0002628900000000 ] - [ 0.0008527800000000, -0.0003471900000000, -0.0004397500000000 ] - [ 0.0007018300000000, -0.0001977800000000, -0.0001620900000000 ] - [ -0.0011076000000000, -0.0008942800000000, 0.0021727100000000 ] - [ 0.0002527200000000, 0.0001766600000000, -0.0003140400000000 ] - [ 0.0006295000000000, 0.0001440300000000, 0.0000838000000000 ] - [ -0.0181647700000000, 0.0031806300000000, 0.0077474400000000 ] - [ 0.0003346700000000, -0.0001325500000000, -0.0003512700000000 ] - [ 0.0000011100000000, -0.0000818400000000, -0.0003351500000000 ] - [ 0.0006102800000000, 0.0001328500000000, -0.0003546300000000 ] - [ -0.0010463800000000, -0.0003444900000000, -0.0005596500000000 ] - [ -0.0023390300000000, 0.0008815600000000, -0.0007595200000000 ] - [ -0.0000156400000000, 0.0005525300000000, 0.0004714200000000 ] - [ 0.0010228000000000, 0.0000105900000000, 0.0002254400000000 ] - [ 0.0006490100000000, -0.0001516100000000, -0.0003764200000000 ] - [ 0.0026013600000000, -0.0007698600000000, 0.0004392400000000 ] - [ -0.0071594300000000, 0.0052755400000000, -0.0028618400000000 ] - [ 0.0001985900000000, 0.0001511900000000, 0.0000302700000000 ] - [ 0.0005030300000000, -0.0001895100000000, -0.0016316200000000 ] - [ 0.0002262800000000, 0.0002510700000000, -0.0003830100000000 ] - [ -0.0014764000000000, 0.0002476700000000, 0.0014289600000000 ] - [ -0.0002443600000000, 0.0003104900000000, 0.0002584000000000 ] - [ 0.0006471900000000, 0.0000495700000000, -0.0003078200000000 ] - [ 0.0000968200000000, -0.0001328700000000, -0.0000788600000000 ] - [ 0.0000762300000000, -0.0002687100000000, 0.0005584700000000 ] - [ 0.0007528400000000, -0.0001216400000000, 0.0000095700000000 ] - [ -0.0006144300000000, -0.0004236200000000, -0.0016336100000000 ] - [ 0.0005622000000000, -0.0005548300000000, -0.0002563700000000 ] - [ 0.0002319600000000, -0.0000269100000000, -0.0002323900000000 ] - [ 0.0004618900000000, 0.0002643100000000, -0.0029062100000000 ] - [ 0.0001666900000000, 0.0000083300000000, 0.0005340000000000 ] - [ -0.0007330700000000, -0.0003144400000000, -0.0038289100000000 ] - [ 0.0001578700000000, -0.0000067400000000, 0.0005328100000000 ] - [ -0.0009782200000000, 0.0000224800000000, 0.0010804800000000 ] - [ 0.0061747100000000, -0.0016639600000000, -0.0121056500000000 ] - [ 0.0004246900000000, 0.0000482700000000, -0.0004500700000000 ] - [ -0.0022512500000000, -0.0000770300000000, 0.0001539500000000 ] - [ 0.0006101300000000, 0.0000636700000000, 0.0000800600000000 ] - [ 0.0007812700000000, 0.0001332900000000, 0.0000069600000000 ] - [ 0.0005011200000000, 0.0003064600000000, -0.0001213400000000 ] - [ -0.0002696700000000, 0.0000053800000000, -0.0002155900000000 ] - [ -0.0001077200000000, -0.0000959200000000, -0.0006537800000000 ] - [ 0.0011175500000000, 0.0001770400000000, 0.0000317600000000 ] - [ 0.0005475000000000, -0.0004515000000000, -0.0003592300000000 ] - [ 0.0007541000000000, 0.0005311300000000, -0.0001108100000000 ] - [ 0.0005786800000000, 0.0000213100000000, -0.0000555700000000 ] - [ 0.0002881400000000, -0.0000530900000000, -0.0000938300000000 ] - [ 0.0006417800000000, -0.0037431600000000, 0.0102203700000000 ] - [ 0.0004563200000000, -0.0003245000000000, 0.0003008300000000 ] - [ 0.0007876100000000, -0.0002515900000000, -0.0001346400000000 ] - [ 0.0005999900000000, -0.0001707200000000, -0.0002973100000000 ] - [ 0.0005883800000000, 0.0005723800000000, -0.0002721900000000 ] - [ -0.0000347000000000, 0.0003423600000000, -0.0002561600000000 ] - [ 0.0009049200000000, 0.0002947700000000, -0.0002182200000000 ] - [ 0.0004114100000000, 0.0006052300000000, 0.0008534400000000 ] - [ 0.0001607200000000, -0.0003836100000000, 0.0000413200000000 ] - [ 0.0006599000000000, -0.0005339100000000, 0.0023501000000000 ] - [ 0.0006892400000000, 0.0001221700000000, -0.0006507100000000 ] - [ 0.0004947400000000, -0.0003073800000000, -0.0001238400000000 ] - [ 0.0003951300000000, -0.0005997200000000, 0.0008529000000000 ] - [ 0.0002674400000000, 0.0003174500000000, 0.0000118500000000 ] - [ 0.0026971100000000, -0.0001364800000000, 0.0005191800000000 ] - [ 0.0003469500000000, -0.0001082000000000, 0.0001533800000000 ] - [ 0.0008736000000000, -0.0005382000000000, -0.0000777700000000 ] - [ 0.0004597000000000, 0.0003252000000000, 0.0003039600000000 ] - [ 0.0001692700000000, 0.0000922700000000, 0.0000780400000000 ] - [ 0.0002325000000000, 0.0000384900000000, -0.0001811700000000 ] - [ -0.0000129800000000, 0.0001245600000000, -0.0003142400000000 ] - [ 0.0000719100000000, 0.0002593400000000, 0.0005428000000000 ]- atom: 67 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0003925100000000, 0.0001096300000000, -0.0003323200000000 ] - [ -0.0000399700000000, -0.0002386500000000, 0.0001985200000000 ] - [ 0.0003203100000000, -0.0001124600000000, -0.0002589500000000 ] - [ -0.0000421300000000, 0.0002356300000000, 0.0002351300000000 ] - [ 0.0003137000000000, 0.0001082600000000, -0.0001831600000000 ] - [ -0.0004871100000000, -0.0002606800000000, 0.0003023800000000 ] - [ 0.0004009900000000, -0.0001212100000000, -0.0004196200000000 ] - [ 0.0004240500000000, 0.0004003800000000, -0.0000188300000000 ] - [ 0.0016764600000000, 0.0004348100000000, 0.0001782200000000 ] - [ 0.0010826400000000, -0.0001029600000000, -0.0006642000000000 ] - [ 0.0011610500000000, 0.0001907400000000, 0.0000998400000000 ] - [ 0.0012125300000000, -0.0001861300000000, 0.0001155100000000 ] - [ 0.0016436200000000, 0.0002520500000000, -0.0003302800000000 ] - [ 0.0010403600000000, -0.0002392400000000, -0.0002967600000000 ] - [ -0.0034744300000000, 0.0009166900000000, -0.0019676000000000 ] - [ -0.0029818900000000, -0.0058224500000000, 0.0012108500000000 ] - [ 0.0008834700000000, 0.0000063600000000, 0.0000308800000000 ] - [ 0.0015463800000000, -0.0008867600000000, 0.0005215700000000 ] - [ 0.0015346200000000, 0.0008822000000000, 0.0005387700000000 ] - [ -0.1008410900000000, 0.0821401400000000, 0.0683623600000000 ] - [ 0.0018483800000000, 0.0001474200000000, -0.0002779200000000 ] - [ 0.0012430600000000, -0.0002465800000000, -0.0017485100000000 ] - [ 0.0014838000000000, 0.0000995700000000, -0.0000258900000000 ] - [ -0.0039468100000000, -0.0002540300000000, -0.0011163300000000 ] - [ 0.0020624100000000, -0.0001974500000000, -0.0001761400000000 ] - [ -0.0005412600000000, -0.0000068000000000, 0.0001089500000000 ] - [ -0.0030480200000000, 0.0033132100000000, -0.0070762100000000 ] - [ -0.0058467800000000, 0.0001658500000000, 0.0033138100000000 ] - [ 0.0008177200000000, -0.0002163600000000, 0.0000708000000000 ] - [ 0.0038307500000000, 0.0021456100000000, -0.0020822100000000 ] - [ 0.0009334200000000, -0.0000140800000000, 0.0000016500000000 ] - [ 0.0002717400000000, -0.0006245600000000, 0.0013108400000000 ] - [ 0.0011515600000000, -0.0005036300000000, -0.0020983200000000 ] - [ -0.0084124800000000, 0.0001564000000000, 0.0046442700000000 ] - [ -0.0042394800000000, 0.0038537100000000, -0.0109832800000000 ] - [ 0.0007619300000000, 0.0008353000000000, 0.0008633900000000 ] - [ 0.0010878000000000, 0.0000480400000000, -0.0007923700000000 ] - [ 0.0010015000000000, -0.0000325700000000, -0.0001644300000000 ] - [ 0.0012744400000000, 0.0002979800000000, 0.0003206100000000 ] - [ 0.0007369200000000, -0.0008233100000000, 0.0008558100000000 ] - [ 0.0032155200000000, -0.0003557800000000, 0.0006769400000000 ] - [ 0.0013588400000000, -0.0001940400000000, -0.0000105200000000 ] - [ 0.0010735000000000, 0.0003160900000000, -0.0002179800000000 ] - [ 0.0010868100000000, -0.0003108500000000, -0.0002477800000000 ] - [ 0.0010736200000000, -0.0000992300000000, -0.0001744700000000 ] - [ 0.0014322000000000, 0.0001805700000000, 0.0000532300000000 ] - [ -0.0005858300000000, 0.0003573000000000, 0.0032271700000000 ] - [ 0.0011431300000000, 0.0000711900000000, -0.0002964500000000 ] - [ -0.0009168200000000, 0.0000609400000000, -0.0003168300000000 ] - [ -0.0008669300000000, -0.0007958100000000, -0.0000596000000000 ] - [ -0.0004031900000000, -0.0001340400000000, 0.0000143500000000 ] - [ -0.0015382000000000, -0.0005307200000000, 0.0100189100000000 ] - [ 0.0012664100000000, -0.0006440800000000, 0.0005198800000000 ] - [ -0.0008210000000000, -0.0000272900000000, -0.0006323300000000 ] - [ -0.0004660000000000, -0.0002207900000000, 0.0018655500000000 ] - [ 0.0002031300000000, -0.0000832400000000, -0.0003498100000000 ] - [ -0.0000954300000000, 0.0001009600000000, 0.0002272900000000 ] - [ 0.0056087000000000, 0.0019520400000000, 0.0003016900000000 ] - [ -0.0005017800000000, -0.0000843900000000, -0.0005169900000000 ] - [ 0.0031309900000000, 0.0009245900000000, 0.0025718900000000 ] - [ -0.0000144400000000, -0.0007445500000000, 0.0004036600000000 ] - [ -0.0000189600000000, 0.0007547000000000, 0.0003843000000000 ] - [ -0.0002059100000000, 0.0000092900000000, -0.0003122600000000 ] - [ -0.0005059800000000, 0.0000840200000000, -0.0004983400000000 ] - [ -0.0004519500000000, -0.0002864400000000, 0.0007700000000000 ] - [ -0.0064897700000000, -0.0030836800000000, 0.0034991900000000 ] - [ 0.1000143600000000, -0.0847221500000000, -0.0724178500000000 ] - [ -0.0007297100000000, -0.0000284100000000, -0.0002831800000000 ] - [ -0.0008898000000000, -0.0000643000000000, -0.0003424100000000 ] - [ -0.0007602400000000, 0.0001728900000000, -0.0005729700000000 ] - [ -0.0009399900000000, 0.0002392600000000, -0.0002353100000000 ] - [ 0.0004125800000000, 0.0005531000000000, 0.0000034400000000 ] - [ -0.0000006700000000, 0.0004447100000000, -0.0006017900000000 ] - [ -0.0003688700000000, -0.0000731500000000, -0.0000068400000000 ] - [ -0.0001119700000000, -0.0001054600000000, 0.0002410300000000 ] - [ 0.0026650200000000, 0.0013058300000000, 0.0009928700000000 ] - [ -0.0002275800000000, 0.0001691400000000, 0.0000099100000000 ] - [ -0.0004196500000000, -0.0000882100000000, -0.0005442600000000 ] - [ 0.0010335700000000, 0.0013409500000000, -0.0023019200000000 ] - [ -0.0008207700000000, 0.0007601200000000, -0.0000074400000000 ] - [ -0.0000034400000000, 0.0000353900000000, -0.0005171900000000 ] - [ 0.0179272100000000, -0.0025162300000000, -0.0062967300000000 ] - [ -0.0007316900000000, -0.0007871300000000, 0.0006315800000000 ] - [ -0.0008431600000000, 0.0000274900000000, -0.0006393500000000 ] - [ -0.0002234000000000, -0.0002200600000000, -0.0001693000000000 ] - [ 0.0013054500000000, -0.0004588400000000, 0.0004470500000000 ] - [ 0.0019694900000000, -0.0015807400000000, 0.0022872200000000 ] - [ -0.0003795300000000, 0.0003639000000000, -0.0001973300000000 ] - [ -0.0008085500000000, 0.0000369700000000, -0.0003483400000000 ] - [ -0.0002625700000000, 0.0002390600000000, -0.0001480000000000 ] - [ -0.0022955100000000, 0.0001068900000000, -0.0010357500000000 ] - [ 0.0072674300000000, -0.0043142500000000, 0.0035874700000000 ] - [ -0.0005290600000000, 0.0000831000000000, -0.0000725200000000 ] - [ -0.0006322300000000, 0.0000708500000000, 0.0013332800000000 ] - [ -0.0009015000000000, -0.0002204700000000, -0.0001664100000000 ] - [ 0.0010022100000000, 0.0000278800000000, -0.0002774500000000 ] - [ -0.0007988400000000, -0.0000393500000000, -0.0009463300000000 ] - [ -0.0012110800000000, -0.0009838600000000, -0.0000146700000000 ] - [ -0.0004269300000000, -0.0001018300000000, 0.0000362600000000 ] - [ -0.0005506700000000, -0.0000037500000000, 0.0005875400000000 ] - [ -0.0004730600000000, 0.0005610100000000, 0.0004030100000000 ] - [ -0.0002315900000000, 0.0004762600000000, 0.0006544400000000 ] - [ -0.0006434100000000, 0.0001116000000000, 0.0001315400000000 ] - [ -0.0003623000000000, 0.0001486100000000, -0.0000823400000000 ] - [ 0.0000143000000000, -0.0002206200000000, 0.0032430900000000 ] - [ -0.0012235800000000, 0.0003661900000000, 0.0001706300000000 ] - [ 0.0006357700000000, 0.0004206900000000, 0.0028109600000000 ] - [ -0.0012142900000000, -0.0003672600000000, 0.0001721800000000 ] - [ 0.0016348600000000, -0.0013286800000000, -0.0002681300000000 ] - [ -0.0054318200000000, 0.0029133800000000, 0.0128008600000000 ] - [ -0.0003586300000000, 0.0000381100000000, 0.0000157600000000 ] - [ 0.0021530100000000, -0.0000462400000000, -0.0011172600000000 ] - [ -0.0002750200000000, -0.0004223700000000, -0.0000702700000000 ] - [ -0.0005012000000000, -0.0005725000000000, 0.0004058300000000 ] - [ -0.0002398200000000, 0.0004959800000000, 0.0000077900000000 ] - [ 0.0004765300000000, -0.0000526400000000, 0.0000925800000000 ] - [ -0.0009381800000000, -0.0001720900000000, -0.0000422300000000 ] - [ -0.0008331600000000, 0.0001091600000000, -0.0007369500000000 ] - [ -0.0012192500000000, 0.0004189000000000, -0.0001916300000000 ] - [ -0.0004236700000000, 0.0001328600000000, -0.0004821800000000 ] - [ -0.0002441600000000, 0.0003387700000000, 0.0000640000000000 ] - [ -0.0002232200000000, -0.0000331100000000, -0.0003360200000000 ] - [ -0.0001785100000000, 0.0036572900000000, -0.0098042400000000 ] - [ -0.0003910800000000, -0.0006907100000000, 0.0004235100000000 ] - [ -0.0001641400000000, 0.0000736300000000, -0.0002963700000000 ] - [ -0.0003210300000000, -0.0001151300000000, -0.0004106700000000 ] - [ -0.0006688800000000, -0.0001289500000000, 0.0001465800000000 ] - [ -0.0005360100000000, 0.0005960000000000, -0.0000644100000000 ] - [ -0.0002802000000000, -0.0001163600000000, -0.0002142800000000 ] - [ -0.0007777500000000, 0.0000935000000000, 0.0006726500000000 ] - [ -0.0005578100000000, -0.0005347400000000, 0.0002362900000000 ] - [ -0.0014831900000000, 0.0004762700000000, -0.0033006300000000 ] - [ -0.0003045800000000, -0.0002096600000000, 0.0001254400000000 ] - [ -0.0002334700000000, -0.0004951000000000, 0.0000104200000000 ] - [ -0.0007613200000000, -0.0000990700000000, 0.0006728000000000 ] - [ -0.0006635500000000, 0.0006001400000000, 0.0002651200000000 ] - [ -0.0024632200000000, 0.0001836000000000, -0.0006421900000000 ] - [ 0.0000384500000000, 0.0001929700000000, -0.0006736100000000 ] - [ -0.0005417700000000, -0.0001259100000000, -0.0005145200000000 ] - [ -0.0003945000000000, 0.0006900100000000, 0.0004203100000000 ] - [ -0.0004989000000000, 0.0001424700000000, -0.0001195400000000 ] - [ -0.0003627600000000, -0.0001599400000000, -0.0001327800000000 ] - [ -0.0006647700000000, -0.0000954400000000, -0.0002341200000000 ] - [ -0.0005463500000000, 0.0000129500000000, 0.0006027600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001260100000000, 0.0001213100000000, -0.0002886000000000 ] - [ -0.0002582300000000, -0.0002533300000000, 0.0001767000000000 ] - [ 0.0000453100000000, -0.0001122200000000, -0.0003037300000000 ] - [ -0.0002723400000000, 0.0002536000000000, 0.0001807400000000 ] - [ -0.0000171500000000, 0.0001217400000000, -0.0002725700000000 ] - [ -0.0006207600000000, -0.0002853500000000, 0.0000920600000000 ] - [ 0.0001486400000000, -0.0001235900000000, -0.0003603200000000 ] - [ -0.0000020400000000, 0.0004044800000000, 0.0002059200000000 ] - [ 0.0002953100000000, 0.0001590500000000, -0.0001739900000000 ] - [ 0.0004774400000000, -0.0001337300000000, -0.0005836900000000 ] - [ 0.0002328700000000, 0.0002376400000000, 0.0000994600000000 ] - [ 0.0002330100000000, -0.0002383400000000, 0.0001057900000000 ] - [ 0.0006036900000000, 0.0001973400000000, -0.0003106300000000 ] - [ 0.0002598900000000, -0.0001748400000000, -0.0003679800000000 ] - [ -0.0013915500000000, 0.0006077600000000, -0.0026137300000000 ] - [ 0.0027542300000000, -0.0075026900000000, 0.0027536400000000 ] - [ 0.0002145100000000, -0.0000345500000000, -0.0000381900000000 ] - [ 0.0008647200000000, -0.0008286100000000, 0.0004449600000000 ] - [ 0.0008593700000000, 0.0008265400000000, 0.0004416100000000 ] - [ -0.0852427000000000, 0.1261712700000000, 0.0879109300000000 ] - [ 0.0007987100000000, 0.0000171100000000, -0.0002404100000000 ] - [ 0.0013156000000000, -0.0005865100000000, -0.0007341600000000 ] - [ 0.0007456000000000, 0.0001090800000000, 0.0003018900000000 ] - [ -0.0008859700000000, -0.0005930200000000, -0.0022688000000000 ] - [ 0.0008166300000000, -0.0000335200000000, -0.0001213800000000 ] - [ 0.0000911800000000, -0.0002098400000000, -0.0012049200000000 ] - [ -0.0010663700000000, 0.0043687800000000, -0.0063254800000000 ] - [ -0.0064946400000000, -0.0029642700000000, -0.0030292900000000 ] - [ 0.0002534600000000, 0.0000309600000000, -0.0003233800000000 ] - [ 0.0009623100000000, -0.0017890800000000, 0.0025302100000000 ] - [ 0.0002337200000000, 0.0000352300000000, -0.0000260600000000 ] - [ -0.0004927000000000, -0.0002359900000000, 0.0000800700000000 ] - [ 0.0008615800000000, -0.0004967400000000, -0.0014107400000000 ] - [ -0.0057153000000000, -0.0038189800000000, 0.0013219800000000 ] - [ 0.0000550100000000, 0.0052470300000000, -0.0041981800000000 ] - [ -0.0000155000000000, 0.0006420100000000, 0.0008444600000000 ] - [ 0.0004027700000000, -0.0000550100000000, -0.0007014400000000 ] - [ 0.0002662600000000, 0.0000622100000000, -0.0002062400000000 ] - [ 0.0004694000000000, 0.0000605100000000, 0.0001074400000000 ] - [ -0.0000242400000000, -0.0006371700000000, 0.0008365700000000 ] - [ 0.0017493700000000, -0.0004768200000000, 0.0010505400000000 ] - [ 0.0005976000000000, -0.0002169800000000, 0.0001224200000000 ] - [ 0.0002963300000000, 0.0003403800000000, -0.0000667100000000 ] - [ 0.0003064200000000, -0.0003366500000000, -0.0000869800000000 ] - [ 0.0004154500000000, 0.0000702100000000, -0.0002119700000000 ] - [ 0.0006345600000000, 0.0002074400000000, 0.0001712200000000 ] - [ -0.0021631800000000, 0.0002006100000000, 0.0015510400000000 ] - [ 0.0003623600000000, -0.0000349600000000, -0.0002642300000000 ] - [ -0.0006298400000000, 0.0001141100000000, -0.0003475500000000 ] - [ -0.0004055500000000, -0.0005310200000000, -0.0001528500000000 ] - [ -0.0002126400000000, -0.0000926800000000, 0.0000752900000000 ] - [ -0.0025028500000000, -0.0004061200000000, 0.0096437300000000 ] - [ 0.0002342500000000, 0.0000103700000000, 0.0008787200000000 ] - [ -0.0005282400000000, 0.0000152600000000, -0.0005174100000000 ] - [ -0.0012309400000000, -0.0000252500000000, 0.0020835700000000 ] - [ 0.0002341700000000, -0.0003662500000000, 0.0004597500000000 ] - [ 0.0001513600000000, 0.0000448900000000, 0.0001858700000000 ] - [ 0.0009946000000000, 0.0135280200000000, 0.0028915500000000 ] - [ -0.0001635300000000, 0.0000227900000000, -0.0004911800000000 ] - [ 0.0011162500000000, 0.0001549700000000, 0.0020613100000000 ] - [ 0.0002415300000000, -0.0006769600000000, 0.0004040200000000 ] - [ 0.0002429700000000, 0.0006774600000000, 0.0004031800000000 ] - [ -0.0000187800000000, 0.0000462200000000, -0.0001732900000000 ] - [ -0.0001670600000000, -0.0000212400000000, -0.0004898800000000 ] - [ -0.0003030200000000, -0.0002166100000000, 0.0000609700000000 ] - [ 0.0026070600000000, -0.0021132800000000, -0.0020689700000000 ] - [ 0.0856966200000000, -0.1404990800000000, -0.0948114100000000 ] - [ -0.0001226000000000, -0.0000228000000000, -0.0001148600000000 ] - [ -0.0006110700000000, -0.0001168700000000, -0.0003392700000000 ] - [ -0.0001147500000000, 0.0000775400000000, -0.0005034800000000 ] - [ -0.0004579400000000, 0.0000287000000000, -0.0002880800000000 ] - [ 0.0003396400000000, 0.0005196300000000, 0.0000477400000000 ] - [ 0.0002470700000000, 0.0001699900000000, 0.0000015600000000 ] - [ -0.0000974400000000, -0.0000435300000000, -0.0002272700000000 ] - [ 0.0001487100000000, -0.0000464900000000, 0.0001833200000000 ] - [ 0.0008114800000000, 0.0003603200000000, 0.0018311000000000 ] - [ -0.0000872300000000, 0.0000883100000000, -0.0001492200000000 ] - [ 0.0000416300000000, -0.0001565000000000, -0.0003371300000000 ] - [ 0.0009509000000000, 0.0014181300000000, -0.0019307000000000 ] - [ -0.0004460300000000, 0.0005533700000000, -0.0001049200000000 ] - [ 0.0003996200000000, 0.0001255600000000, -0.0002815200000000 ] - [ 0.0044206100000000, 0.0149654000000000, 0.0058460600000000 ] - [ -0.0005058900000000, -0.0005436500000000, 0.0003830200000000 ] - [ -0.0005268000000000, -0.0000090400000000, -0.0005326000000000 ] - [ 0.0000854200000000, -0.0000925400000000, -0.0002298400000000 ] - [ 0.0000713800000000, -0.0008585800000000, 0.0010990900000000 ] - [ 0.0003843600000000, -0.0006644800000000, 0.0018839800000000 ] - [ -0.0001298400000000, 0.0004118300000000, -0.0000477600000000 ] - [ -0.0001120900000000, 0.0000264200000000, -0.0001323100000000 ] - [ 0.0000758400000000, 0.0000894600000000, -0.0002422900000000 ] - [ 0.0005090900000000, 0.0001665000000000, -0.0007245700000000 ] - [ 0.0063520300000000, -0.0094534900000000, -0.0010745600000000 ] - [ -0.0002801400000000, 0.0001650300000000, -0.0001553500000000 ] - [ -0.0004351400000000, -0.0002309000000000, -0.0010499600000000 ] - [ -0.0005130500000000, -0.0000596400000000, -0.0002207300000000 ] - [ 0.0004235200000000, 0.0008101500000000, 0.0016013600000000 ] - [ -0.0003236200000000, 0.0001237300000000, -0.0006992300000000 ] - [ -0.0007734300000000, -0.0007150800000000, -0.0002122400000000 ] - [ -0.0002320400000000, -0.0001081900000000, 0.0000253400000000 ] - [ -0.0003173000000000, -0.0001020800000000, 0.0005751000000000 ] - [ -0.0000158800000000, 0.0003077300000000, 0.0002595400000000 ] - [ -0.0003551200000000, 0.0003079100000000, 0.0004186200000000 ] - [ -0.0001879600000000, -0.0001416900000000, -0.0000163200000000 ] - [ -0.0001423300000000, 0.0000825200000000, -0.0001303600000000 ] - [ -0.0002333000000000, -0.0002532100000000, 0.0024241700000000 ] - [ -0.0007066700000000, 0.0002353900000000, 0.0003059400000000 ] - [ 0.0004478600000000, 0.0011492100000000, 0.0005836100000000 ] - [ -0.0007035200000000, -0.0002348800000000, 0.0003052400000000 ] - [ 0.0016983600000000, -0.0000922200000000, 0.0007878100000000 ] - [ -0.0044926500000000, -0.0005255300000000, 0.0075711300000000 ] - [ -0.0001025600000000, 0.0000402100000000, -0.0000982100000000 ] - [ 0.0017474600000000, -0.0003493000000000, -0.0003151200000000 ] - [ 0.0000555100000000, -0.0002501900000000, -0.0000319200000000 ] - [ -0.0000290700000000, -0.0003115900000000, 0.0002580800000000 ] - [ 0.0000365400000000, 0.0004248400000000, -0.0000388500000000 ] - [ 0.0006094500000000, 0.0000050000000000, 0.0003286200000000 ] - [ -0.0007579400000000, -0.0001397200000000, -0.0001621900000000 ] - [ -0.0002086400000000, 0.0001507300000000, -0.0005403700000000 ] - [ -0.0006544600000000, 0.0002160500000000, -0.0003480400000000 ] - [ 0.0000322400000000, 0.0002842200000000, -0.0003346800000000 ] - [ 0.0000623400000000, 0.0002086700000000, 0.0000398700000000 ] - [ 0.0000167300000000, -0.0000421700000000, -0.0002915300000000 ] - [ 0.0001046400000000, 0.0028912400000000, -0.0068944500000000 ] - [ -0.0000757800000000, -0.0005544800000000, 0.0003790000000000 ] - [ 0.0002164500000000, -0.0000562800000000, -0.0002393900000000 ] - [ 0.0001085000000000, -0.0001335600000000, -0.0002995800000000 ] - [ -0.0002057100000000, 0.0001291200000000, -0.0000084600000000 ] - [ -0.0002604800000000, 0.0004509100000000, -0.0001013800000000 ] - [ 0.0001343400000000, 0.0000270500000000, -0.0002024800000000 ] - [ -0.0003351300000000, 0.0002843400000000, 0.0007355200000000 ] - [ -0.0002769000000000, -0.0004703600000000, 0.0001662300000000 ] - [ -0.0005070100000000, 0.0015503100000000, -0.0027196400000000 ] - [ -0.0000387200000000, -0.0001029100000000, 0.0000025900000000 ] - [ 0.0000374900000000, -0.0004258500000000, -0.0000370100000000 ] - [ -0.0003316200000000, -0.0002852100000000, 0.0007381700000000 ] - [ -0.0003365300000000, 0.0005062800000000, 0.0001641300000000 ] - [ -0.0023051500000000, -0.0001809300000000, -0.0006499900000000 ] - [ 0.0004926800000000, 0.0000012700000000, -0.0007235500000000 ] - [ -0.0000360000000000, -0.0002795900000000, -0.0003627700000000 ] - [ -0.0000771600000000, 0.0005558500000000, 0.0003730000000000 ] - [ -0.0002366600000000, 0.0001243500000000, -0.0000929800000000 ] - [ -0.0001397800000000, -0.0000896400000000, -0.0001632700000000 ] - [ -0.0003496700000000, 0.0000171000000000, -0.0001958400000000 ] - [ -0.0003161100000000, 0.0001076700000000, 0.0005860200000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001577800000000, 0.0001154000000000, -0.0003088200000000 ] - [ -0.0004288300000000, -0.0002651500000000, 0.0001554100000000 ] - [ -0.0000762400000000, -0.0001251200000000, -0.0002940100000000 ] - [ -0.0004146600000000, 0.0002643800000000, 0.0001511200000000 ] - [ -0.0000138200000000, 0.0001149300000000, -0.0003257700000000 ] - [ -0.0000653200000000, -0.0002333400000000, 0.0002392700000000 ] - [ -0.0001799100000000, -0.0001136500000000, -0.0002360600000000 ] - [ -0.0006842400000000, 0.0001120800000000, 0.0001268700000000 ] - [ -0.0000815100000000, 0.0001430400000000, -0.0005299300000000 ] - [ -0.0002611600000000, -0.0001700400000000, -0.0001139400000000 ] - [ -0.0004246000000000, 0.0002722000000000, 0.0001009800000000 ] - [ -0.0004251300000000, -0.0002711900000000, 0.0000943100000000 ] - [ -0.0003910500000000, 0.0001054200000000, -0.0003895300000000 ] - [ -0.0000427000000000, -0.0001281800000000, -0.0003327300000000 ] - [ 0.0012227100000000, -0.0000986400000000, 0.0028077800000000 ] - [ -0.0026496600000000, 0.0067091400000000, -0.0025765000000000 ] - [ -0.0002429300000000, -0.0000658900000000, -0.0000588100000000 ] - [ 0.0003900500000000, -0.0007872200000000, 0.0003820100000000 ] - [ 0.0003952800000000, 0.0007894600000000, 0.0003852000000000 ] - [ 0.0815077600000000, -0.1220176100000000, -0.0822462200000000 ] - [ 0.0000236100000000, -0.0000678200000000, -0.0000877100000000 ] - [ -0.0012157900000000, 0.0007580200000000, 0.0002735600000000 ] - [ -0.0003503000000000, -0.0002702300000000, -0.0005053700000000 ] - [ 0.0003222700000000, -0.0005577400000000, 0.0039458600000000 ] - [ 0.0000045400000000, 0.0000847000000000, -0.0002080100000000 ] - [ 0.0006081000000000, -0.0002260400000000, 0.0015920800000000 ] - [ 0.0011455900000000, -0.0036740400000000, 0.0063045700000000 ] - [ 0.0066409700000000, 0.0022977200000000, 0.0030032100000000 ] - [ 0.0001462400000000, 0.0001308700000000, 0.0001223500000000 ] - [ -0.0002817600000000, 0.0022078300000000, -0.0021394900000000 ] - [ -0.0002624200000000, 0.0000655200000000, -0.0000709900000000 ] - [ 0.0006055900000000, 0.0000735000000000, -0.0005556100000000 ] - [ -0.0008882700000000, 0.0003986200000000, 0.0013262400000000 ] - [ 0.0069724300000000, 0.0021551800000000, -0.0005276000000000 ] - [ 0.0012927100000000, -0.0036563400000000, 0.0049530100000000 ] - [ -0.0005595600000000, 0.0005065700000000, 0.0008215200000000 ] - [ 0.0004253900000000, 0.0000053300000000, 0.0003737300000000 ] - [ -0.0001606300000000, 0.0001063400000000, -0.0002615600000000 ] - [ -0.0000732100000000, -0.0002231600000000, -0.0003119900000000 ] - [ -0.0005509200000000, -0.0005113600000000, 0.0008294000000000 ] - [ -0.0009409500000000, 0.0005354300000000, -0.0013916300000000 ] - [ 0.0000940600000000, -0.0002214600000000, 0.0002566400000000 ] - [ -0.0002322300000000, 0.0003517000000000, 0.0000229800000000 ] - [ -0.0002421200000000, -0.0003553200000000, 0.0000440600000000 ] - [ -0.0000173200000000, 0.0000909000000000, 0.0000114800000000 ] - [ 0.0000564300000000, 0.0002312500000000, 0.0002070300000000 ] - [ 0.0021482400000000, -0.0001022600000000, -0.0016463800000000 ] - [ -0.0002576100000000, -0.0001338600000000, -0.0002025200000000 ] - [ -0.0004118100000000, 0.0001563400000000, -0.0003462200000000 ] - [ -0.0001603800000000, -0.0004039200000000, -0.0001692700000000 ] - [ -0.0001167500000000, -0.0001430100000000, -0.0001193700000000 ] - [ 0.0020053600000000, 0.0001662200000000, -0.0084860700000000 ] - [ 0.0000409100000000, 0.0004331500000000, -0.0004699600000000 ] - [ -0.0003136400000000, 0.0000389000000000, -0.0004566300000000 ] - [ 0.0011506700000000, -0.0004239900000000, -0.0022144300000000 ] - [ -0.0003677500000000, 0.0004939600000000, -0.0007800700000000 ] - [ 0.0003279800000000, 0.0000036700000000, 0.0001512900000000 ] - [ -0.0021393000000000, -0.0132379200000000, -0.0022995800000000 ] - [ 0.0000705100000000, 0.0000953300000000, -0.0004807600000000 ] - [ -0.0021912500000000, -0.0005376800000000, -0.0013640500000000 ] - [ 0.0004245100000000, -0.0006262600000000, 0.0004079900000000 ] - [ 0.0004232300000000, 0.0006257900000000, 0.0004089200000000 ] - [ 0.0000845200000000, 0.0000404200000000, -0.0002558900000000 ] - [ 0.0000741000000000, -0.0000968600000000, -0.0004821300000000 ] - [ 0.0006401800000000, -0.0001412700000000, -0.0000538000000000 ] - [ -0.0022822200000000, 0.0017048800000000, 0.0024488500000000 ] - [ -0.0826926600000000, 0.1385701500000000, 0.0907921200000000 ] - [ 0.0003368700000000, -0.0000237000000000, -0.0000063200000000 ] - [ -0.0004307800000000, -0.0001534100000000, -0.0003548200000000 ] - [ 0.0003995800000000, 0.0002070500000000, -0.0002029900000000 ] - [ -0.0002143300000000, -0.0000609300000000, -0.0002617800000000 ] - [ -0.0000127900000000, 0.0001427700000000, -0.0006446600000000 ] - [ 0.0000865600000000, 0.0001879700000000, 0.0000115200000000 ] - [ 0.0001642700000000, -0.0000427100000000, -0.0002032200000000 ] - [ 0.0003306000000000, -0.0000017800000000, 0.0001539900000000 ] - [ -0.0007516900000000, -0.0013742900000000, -0.0011124900000000 ] - [ 0.0007130800000000, -0.0002672500000000, -0.0002820200000000 ] - [ 0.0002402200000000, -0.0001282500000000, -0.0003701000000000 ] - [ -0.0010380000000000, -0.0009982000000000, 0.0018314100000000 ] - [ -0.0001200800000000, 0.0003817800000000, -0.0002176800000000 ] - [ 0.0002221300000000, 0.0000514500000000, -0.0001471500000000 ] - [ -0.0048927500000000, -0.0141252600000000, -0.0040875200000000 ] - [ 0.0001110900000000, -0.0003732000000000, -0.0001095900000000 ] - [ -0.0003149200000000, -0.0000449800000000, -0.0004412500000000 ] - [ 0.0003023300000000, 0.0000065100000000, -0.0002942500000000 ] - [ 0.0001855400000000, 0.0000570600000000, -0.0012125800000000 ] - [ -0.0007570700000000, -0.0000344300000000, -0.0003614200000000 ] - [ -0.0002687500000000, 0.0005076700000000, 0.0003265900000000 ] - [ 0.0003272600000000, 0.0000204200000000, 0.0000112500000000 ] - [ 0.0003119800000000, -0.0000034200000000, -0.0002825500000000 ] - [ -0.0001664300000000, -0.0008329500000000, 0.0001361400000000 ] - [ -0.0061790900000000, 0.0103492500000000, 0.0017546100000000 ] - [ -0.0000491100000000, 0.0000709200000000, 0.0001124300000000 ] - [ 0.0003083900000000, 0.0001099000000000, 0.0007294200000000 ] - [ -0.0001594700000000, 0.0000920400000000, -0.0003296800000000 ] - [ -0.0009025500000000, -0.0005506200000000, -0.0004725000000000 ] - [ -0.0007189200000000, 0.0001475100000000, 0.0000071100000000 ] - [ 0.0002126700000000, -0.0002174700000000, -0.0001098000000000 ] - [ -0.0000974100000000, -0.0001274300000000, -0.0000690100000000 ] - [ -0.0001564800000000, -0.0001717400000000, 0.0005721100000000 ] - [ 0.0002957400000000, 0.0001317700000000, 0.0001538000000000 ] - [ -0.0004898000000000, -0.0002559100000000, -0.0013987000000000 ] - [ 0.0001093000000000, -0.0003035900000000, -0.0001101200000000 ] - [ 0.0000130600000000, 0.0000396200000000, -0.0001857500000000 ] - [ 0.0006981400000000, 0.0003100700000000, -0.0020960400000000 ] - [ -0.0003479500000000, 0.0001399100000000, 0.0003990800000000 ] - [ -0.0005571500000000, -0.0010568000000000, -0.0015859100000000 ] - [ -0.0003507300000000, -0.0001398900000000, 0.0004000500000000 ] - [ -0.0010317200000000, -0.0011966300000000, 0.0000325200000000 ] - [ 0.0051959200000000, 0.0018994800000000, -0.0068384200000000 ] - [ 0.0001694600000000, 0.0000464100000000, -0.0003334100000000 ] - [ -0.0018387900000000, 0.0002270500000000, -0.0006476900000000 ] - [ 0.0002806200000000, -0.0001071400000000, 0.0000428000000000 ] - [ 0.0003091800000000, -0.0001276900000000, 0.0001554500000000 ] - [ 0.0002263400000000, 0.0003767600000000, -0.0000740800000000 ] - [ -0.0004012300000000, -0.0000517200000000, -0.0004492000000000 ] - [ -0.0002843500000000, -0.0001304700000000, -0.0005329900000000 ] - [ 0.0004943100000000, 0.0001340300000000, -0.0001652200000000 ] - [ -0.0000160500000000, -0.0002509400000000, -0.0002023000000000 ] - [ 0.0002996000000000, 0.0003815300000000, -0.0002576800000000 ] - [ 0.0002733300000000, 0.0001497400000000, -0.0000298600000000 ] - [ 0.0000490900000000, -0.0000441800000000, -0.0001367800000000 ] - [ 0.0003852400000000, -0.0028911400000000, 0.0072517700000000 ] - [ 0.0001415600000000, -0.0004610300000000, 0.0003434300000000 ] - [ 0.0004073800000000, -0.0001216200000000, -0.0001900600000000 ] - [ 0.0001729400000000, -0.0001511000000000, -0.0004082600000000 ] - [ 0.0001275900000000, 0.0003162500000000, -0.0001186000000000 ] - [ -0.0003074100000000, 0.0004852700000000, -0.0002204800000000 ] - [ 0.0004904900000000, 0.0001511800000000, -0.0002281200000000 ] - [ -0.0000292100000000, 0.0004154900000000, 0.0007886100000000 ] - [ -0.0001197400000000, -0.0004479700000000, 0.0001097700000000 ] - [ -0.0003348000000000, -0.0016275200000000, 0.0017641400000000 ] - [ 0.0004244000000000, 0.0000170300000000, -0.0005285200000000 ] - [ 0.0002253300000000, -0.0003757700000000, -0.0000758700000000 ] - [ -0.0000327400000000, -0.0004146100000000, 0.0007855700000000 ] - [ -0.0000594700000000, 0.0004115500000000, 0.0001114300000000 ] - [ 0.0025522400000000, 0.0002370900000000, 0.0005336900000000 ] - [ -0.0001051200000000, 0.0000846700000000, 0.0002029100000000 ] - [ 0.0003689300000000, -0.0003863200000000, -0.0002289000000000 ] - [ 0.0001429600000000, 0.0004596800000000, 0.0003493100000000 ] - [ -0.0000926700000000, 0.0001114700000000, 0.0000502000000000 ] - [ 0.0000105300000000, -0.0000322700000000, -0.0001521500000000 ] - [ -0.0003245600000000, 0.0000141800000000, -0.0003538500000000 ] - [ -0.0001576500000000, 0.0001660800000000, 0.0005608500000000 ]- atom: 67 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0001397100000000, 0.0001275100000000, -0.0002962900000000 ] - [ -0.0002722700000000, -0.0002554800000000, 0.0001658400000000 ] - [ -0.0000220900000000, -0.0001083900000000, -0.0002984200000000 ] - [ -0.0002949900000000, 0.0002543400000000, 0.0001860800000000 ] - [ -0.0001837900000000, 0.0001283500000000, -0.0004583500000000 ] - [ -0.0008428500000000, -0.0002863600000000, -0.0004620300000000 ] - [ 0.0002899700000000, -0.0001156300000000, -0.0001524600000000 ] - [ 0.0004468100000000, 0.0003166300000000, 0.0007634400000000 ] - [ 0.0003302500000000, 0.0002784200000000, 0.0001749800000000 ] - [ 0.0003761100000000, -0.0000901700000000, -0.0008353600000000 ] - [ 0.0001507800000000, 0.0002418500000000, 0.0000903400000000 ] - [ 0.0001653900000000, -0.0002417000000000, 0.0001118200000000 ] - [ 0.0002584100000000, 0.0001775100000000, -0.0001490200000000 ] - [ 0.0004449700000000, -0.0001666200000000, -0.0005355300000000 ] - [ -0.0013514100000000, 0.0008491800000000, -0.0064165400000000 ] - [ 0.0008044300000000, -0.0037757400000000, 0.0142534600000000 ] - [ 0.0001459000000000, -0.0000383400000000, -0.0000384100000000 ] - [ 0.0008116400000000, -0.0008249500000000, 0.0004312400000000 ] - [ 0.0008047200000000, 0.0008215600000000, 0.0004427600000000 ] - [ -0.0616559400000000, 0.0799543300000000, 0.1038643800000000 ] - [ 0.0006644400000000, -0.0000044000000000, -0.0002921300000000 ] - [ 0.0019499400000000, -0.0005969900000000, -0.0011331700000000 ] - [ 0.0008166400000000, -0.0000042300000000, 0.0003828200000000 ] - [ -0.0014154100000000, -0.0002652100000000, -0.0054266300000000 ] - [ 0.0007679200000000, -0.0000335400000000, -0.0000615200000000 ] - [ -0.0004545900000000, -0.0004011100000000, -0.0024317500000000 ] - [ 0.0027715000000000, -0.0032326100000000, -0.0073300000000000 ] - [ -0.0075302700000000, -0.0043654700000000, -0.0005175400000000 ] - [ -0.0000699500000000, 0.0000786100000000, -0.0005359800000000 ] - [ 0.0024796000000000, 0.0007044500000000, 0.0016398300000000 ] - [ 0.0001919200000000, 0.0000386800000000, -0.0000307700000000 ] - [ -0.0016518500000000, -0.0008196200000000, 0.0007441700000000 ] - [ 0.0025249400000000, -0.0008305600000000, -0.0018870500000000 ] - [ -0.0044508500000000, 0.0014673000000000, -0.0081979900000000 ] - [ 0.0056353600000000, 0.0041141700000000, -0.0112408900000000 ] - [ -0.0000865900000000, 0.0006244600000000, 0.0008420700000000 ] - [ 0.0011172400000000, 0.0000429200000000, -0.0014396500000000 ] - [ 0.0002436900000000, 0.0000705700000000, -0.0003023900000000 ] - [ 0.0002113900000000, -0.0000148800000000, -0.0000714800000000 ] - [ -0.0000803000000000, -0.0006265700000000, 0.0008318800000000 ] - [ 0.0004491900000000, -0.0001159100000000, 0.0013665600000000 ] - [ 0.0005758400000000, -0.0002119600000000, 0.0001431400000000 ] - [ 0.0002328200000000, 0.0003377000000000, -0.0000720700000000 ] - [ 0.0002450300000000, -0.0003386100000000, -0.0000524500000000 ] - [ 0.0005653100000000, 0.0000331300000000, -0.0000577500000000 ] - [ 0.0005281800000000, 0.0002105400000000, 0.0001691600000000 ] - [ -0.0032427700000000, -0.0002707700000000, 0.0010328200000000 ] - [ 0.0002636800000000, -0.0000468100000000, -0.0001632200000000 ] - [ -0.0006167200000000, 0.0001180900000000, -0.0003453100000000 ] - [ -0.0003706900000000, -0.0005215700000000, -0.0001821700000000 ] - [ -0.0001502700000000, -0.0000745600000000, 0.0001684000000000 ] - [ -0.0017868500000000, 0.0001416300000000, 0.0027846200000000 ] - [ 0.0003199700000000, -0.0001269700000000, 0.0015273100000000 ] - [ -0.0004991700000000, 0.0000213100000000, -0.0005031600000000 ] - [ -0.0019178900000000, 0.0020561800000000, 0.0022583300000000 ] - [ 0.0006944600000000, -0.0008463400000000, 0.0011090300000000 ] - [ 0.0001773400000000, 0.0000369900000000, 0.0001812800000000 ] - [ 0.0032397400000000, 0.0016754000000000, 0.0000268200000000 ] - [ -0.0001332100000000, 0.0000302000000000, -0.0004970600000000 ] - [ 0.0007856600000000, 0.0007977300000000, 0.0028612400000000 ] - [ 0.0002644500000000, -0.0006682000000000, 0.0004090800000000 ] - [ 0.0002643800000000, 0.0006738600000000, 0.0003970600000000 ] - [ 0.0000551000000000, 0.0000428700000000, -0.0002171400000000 ] - [ -0.0001394500000000, -0.0000298800000000, -0.0004854900000000 ] - [ -0.0003222500000000, -0.0002585500000000, 0.0001356100000000 ] - [ -0.0019358700000000, -0.0012163200000000, -0.0011163300000000 ] - [ 0.0743403100000000, -0.0955655500000000, -0.1227271000000000 ] - [ -0.0000575500000000, -0.0000220400000000, -0.0000854900000000 ] - [ -0.0005767900000000, -0.0001243800000000, -0.0003413600000000 ] - [ -0.0001932200000000, 0.0001116700000000, -0.0005238800000000 ] - [ -0.0004131500000000, 0.0000120100000000, -0.0003272100000000 ] - [ 0.0007520300000000, 0.0007766800000000, 0.0004865600000000 ] - [ 0.0005119100000000, 0.0001652600000000, -0.0001026200000000 ] - [ -0.0001133400000000, -0.0000376100000000, -0.0001942300000000 ] - [ 0.0001678300000000, -0.0000410300000000, 0.0001839200000000 ] - [ 0.0017085200000000, 0.0017428600000000, 0.0033096800000000 ] - [ -0.0003004200000000, 0.0001507000000000, -0.0000633100000000 ] - [ 0.0001833800000000, -0.0001758600000000, -0.0002609600000000 ] - [ 0.0017372200000000, 0.0021062400000000, -0.0028534100000000 ] - [ -0.0004160900000000, 0.0005348000000000, -0.0000899800000000 ] - [ 0.0007069800000000, 0.0002552700000000, -0.0003877700000000 ] - [ 0.0025801900000000, 0.0091406900000000, -0.0002123800000000 ] - [ -0.0006226300000000, -0.0006835600000000, 0.0006025200000000 ] - [ -0.0005038500000000, -0.0000121800000000, -0.0005303000000000 ] - [ 0.0001220800000000, -0.0000794200000000, -0.0002358800000000 ] - [ -0.0003544800000000, -0.0015543300000000, 0.0025264900000000 ] - [ 0.0006184200000000, -0.0011832900000000, 0.0032810500000000 ] - [ 0.0001323500000000, 0.0002789200000000, -0.0002926500000000 ] - [ -0.0000704500000000, 0.0000303600000000, -0.0001387700000000 ] - [ 0.0000934500000000, 0.0000806300000000, -0.0002476800000000 ] - [ -0.0007867600000000, 0.0001642300000000, -0.0010199300000000 ] - [ -0.0086771000000000, 0.0066909000000000, 0.0162381200000000 ] - [ -0.0002953600000000, 0.0001550100000000, -0.0002161500000000 ] - [ -0.0007906700000000, -0.0005650200000000, -0.0008923600000000 ] - [ -0.0004929000000000, -0.0000528200000000, -0.0001920200000000 ] - [ 0.0003559600000000, 0.0013061700000000, 0.0022447900000000 ] - [ 0.0001515200000000, 0.0001285200000000, -0.0006182900000000 ] - [ -0.0004292300000000, -0.0005288400000000, -0.0003942700000000 ] - [ -0.0003250100000000, -0.0001416200000000, 0.0000110000000000 ] - [ -0.0002954600000000, -0.0001126800000000, 0.0005791900000000 ] - [ 0.0000091600000000, 0.0002920500000000, 0.0002512600000000 ] - [ -0.0006231800000000, 0.0005059400000000, 0.0010771700000000 ] - [ -0.0001581700000000, -0.0001573700000000, -0.0000159100000000 ] - [ -0.0001301600000000, 0.0000784900000000, -0.0001473800000000 ] - [ -0.0017774200000000, 0.0000960000000000, 0.0042065900000000 ] - [ -0.0006669600000000, 0.0002232700000000, 0.0003132800000000 ] - [ -0.0015892200000000, -0.0014563600000000, -0.0008297300000000 ] - [ -0.0006602400000000, -0.0002200300000000, 0.0003212100000000 ] - [ 0.0018044300000000, 0.0006559000000000, 0.0026663200000000 ] - [ -0.0092345100000000, 0.0045101800000000, 0.0094577100000000 ] - [ -0.0001052800000000, 0.0000273700000000, -0.0002868600000000 ] - [ 0.0016364800000000, -0.0015978400000000, 0.0015359600000000 ] - [ 0.0001147800000000, -0.0001899300000000, 0.0000410300000000 ] - [ 0.0000259200000000, -0.0002822700000000, 0.0002371200000000 ] - [ 0.0000596500000000, 0.0004186000000000, -0.0000479400000000 ] - [ 0.0004829800000000, 0.0000333100000000, 0.0009073800000000 ] - [ -0.0012975300000000, -0.0001147200000000, -0.0001566400000000 ] - [ 0.0000331600000000, 0.0001831000000000, -0.0004658200000000 ] - [ -0.0004092300000000, 0.0000087200000000, -0.0006525700000000 ] - [ 0.0000172500000000, 0.0002912400000000, -0.0003198400000000 ] - [ 0.0000528700000000, 0.0002486700000000, -0.0000350900000000 ] - [ 0.0000455100000000, -0.0000548600000000, -0.0001232600000000 ] - [ 0.0052853000000000, -0.0016122100000000, 0.0027402600000000 ] - [ -0.0000516000000000, -0.0005428200000000, 0.0003752400000000 ] - [ 0.0002271200000000, -0.0000574900000000, -0.0001837600000000 ] - [ -0.0000467400000000, -0.0000997000000000, -0.0003382600000000 ] - [ -0.0001653800000000, 0.0001506700000000, -0.0000280700000000 ] - [ -0.0004002400000000, 0.0005444000000000, 0.0001011000000000 ] - [ 0.0001880400000000, 0.0000475600000000, -0.0002634800000000 ] - [ -0.0002996100000000, 0.0002997800000000, 0.0007447000000000 ] - [ -0.0003045200000000, -0.0004988900000000, 0.0002116400000000 ] - [ -0.0000861700000000, 0.0007858500000000, -0.0025794100000000 ] - [ -0.0007102800000000, -0.0002129500000000, 0.0001224600000000 ] - [ 0.0000571900000000, -0.0004204600000000, -0.0000414300000000 ] - [ -0.0002965900000000, -0.0002997700000000, 0.0007477200000000 ] - [ -0.0002551300000000, 0.0004630800000000, 0.0001117300000000 ] - [ -0.0009197800000000, 0.0001331500000000, -0.0011709300000000 ] - [ 0.0010206400000000, -0.0000461900000000, -0.0007519500000000 ] - [ 0.0000581600000000, -0.0002917800000000, -0.0003528000000000 ] - [ -0.0000506000000000, 0.0005433600000000, 0.0003736200000000 ] - [ -0.0001193000000000, 0.0000930000000000, -0.0000620400000000 ] - [ -0.0001169600000000, -0.0000778500000000, -0.0001445900000000 ] - [ -0.0005166500000000, -0.0000997500000000, 0.0001045100000000 ] - [ -0.0003014200000000, 0.0001074100000000, 0.0005723800000000 ]- atom: 67 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0001688300000000, 0.0001091900000000, -0.0003009500000000 ] - [ -0.0004123900000000, -0.0002633100000000, 0.0001664600000000 ] - [ -0.0000071400000000, -0.0001289000000000, -0.0002994400000000 ] - [ -0.0003898200000000, 0.0002637800000000, 0.0001459600000000 ] - [ 0.0001551300000000, 0.0001081700000000, -0.0001375100000000 ] - [ 0.0001575700000000, -0.0002319800000000, 0.0007976000000000 ] - [ -0.0003200900000000, -0.0001217200000000, -0.0004471600000000 ] - [ -0.0011306100000000, 0.0002035300000000, -0.0004359600000000 ] - [ -0.0001122600000000, 0.0000244900000000, -0.0008747400000000 ] - [ -0.0001531300000000, -0.0002144500000000, 0.0001373900000000 ] - [ -0.0003343100000000, 0.0002676500000000, 0.0001089800000000 ] - [ -0.0003493100000000, -0.0002676800000000, 0.0000872200000000 ] - [ -0.0000344500000000, 0.0001263300000000, -0.0005502100000000 ] - [ -0.0002272600000000, -0.0001373300000000, -0.0001615500000000 ] - [ 0.0011572700000000, -0.0003464600000000, 0.0066418200000000 ] - [ -0.0009735900000000, 0.0032374700000000, -0.0141296300000000 ] - [ -0.0001665800000000, -0.0000623900000000, -0.0000570500000000 ] - [ 0.0004500500000000, -0.0007919300000000, 0.0003976800000000 ] - [ 0.0004569100000000, 0.0007951900000000, 0.0003858600000000 ] - [ 0.0580649000000000, -0.0750597000000000, -0.0998505500000000 ] - [ 0.0001680400000000, -0.0000459400000000, -0.0000396600000000 ] - [ -0.0018322000000000, 0.0007654200000000, 0.0006745800000000 ] - [ -0.0004171200000000, -0.0001550300000000, -0.0005811900000000 ] - [ 0.0008520200000000, -0.0008918700000000, 0.0070916000000000 ] - [ 0.0000633400000000, 0.0000841100000000, -0.0002701400000000 ] - [ 0.0011574700000000, -0.0000328200000000, 0.0028035700000000 ] - [ -0.0026561300000000, 0.0038496200000000, 0.0072463100000000 ] - [ 0.0075821400000000, 0.0037141300000000, 0.0004297100000000 ] - [ 0.0004703200000000, 0.0000818800000000, 0.0003327100000000 ] - [ -0.0017960000000000, -0.0002822300000000, -0.0012327000000000 ] - [ -0.0002127100000000, 0.0000621200000000, -0.0000644400000000 ] - [ 0.0017603600000000, 0.0006507600000000, -0.0012182000000000 ] - [ -0.0025579100000000, 0.0007339900000000, 0.0017866700000000 ] - [ 0.0056713400000000, -0.0030585400000000, 0.0090605000000000 ] - [ -0.0045263800000000, -0.0024105500000000, 0.0120678500000000 ] - [ -0.0004827300000000, 0.0005274900000000, 0.0008222900000000 ] - [ -0.0002958800000000, -0.0000953100000000, 0.0011105800000000 ] - [ -0.0001351200000000, 0.0000994100000000, -0.0001628400000000 ] - [ 0.0001898200000000, -0.0001446200000000, -0.0001275400000000 ] - [ -0.0004892900000000, -0.0005252900000000, 0.0008324600000000 ] - [ 0.0003938700000000, 0.0001658300000000, -0.0016967900000000 ] - [ 0.0001177600000000, -0.0002235100000000, 0.0002346800000000 ] - [ -0.0001624400000000, 0.0003516000000000, 0.0000287400000000 ] - [ -0.0001745000000000, -0.0003506600000000, 0.0000094800000000 ] - [ -0.0001675300000000, 0.0001276300000000, -0.0001455300000000 ] - [ 0.0001664100000000, 0.0002247500000000, 0.0002088900000000 ] - [ 0.0032288000000000, 0.0003717800000000, -0.0011088200000000 ] - [ -0.0001537700000000, -0.0001229900000000, -0.0003039800000000 ] - [ -0.0004280600000000, 0.0001516200000000, -0.0003483700000000 ] - [ -0.0001998400000000, -0.0004164800000000, -0.0001391400000000 ] - [ -0.0001804600000000, -0.0001600900000000, -0.0002090000000000 ] - [ 0.0012886700000000, -0.0003747400000000, -0.0016367000000000 ] - [ -0.0000453900000000, 0.0005682700000000, -0.0011119100000000 ] - [ -0.0003436200000000, 0.0000332700000000, -0.0004718700000000 ] - [ 0.0018146200000000, -0.0024728600000000, -0.0023663800000000 ] - [ -0.0008275000000000, 0.0009661600000000, -0.0014173500000000 ] - [ 0.0003012000000000, 0.0000108600000000, 0.0001589700000000 ] - [ -0.0042722700000000, -0.0013424700000000, 0.0007223900000000 ] - [ 0.0000381200000000, 0.0000848400000000, -0.0004772800000000 ] - [ -0.0018380900000000, -0.0011641300000000, -0.0021533300000000 ] - [ 0.0004004000000000, -0.0006366800000000, 0.0004013400000000 ] - [ 0.0004006200000000, 0.0006309300000000, 0.0004134700000000 ] - [ 0.0000084900000000, 0.0000436100000000, -0.0002150400000000 ] - [ 0.0000443300000000, -0.0000853300000000, -0.0004888900000000 ] - [ 0.0006555800000000, -0.0001019000000000, -0.0001326000000000 ] - [ 0.0022618500000000, 0.0008050100000000, 0.0015044900000000 ] - [ -0.0710070300000000, 0.0924812800000000, 0.1200562500000000 ] - [ 0.0002704100000000, -0.0000259500000000, -0.0000382700000000 ] - [ -0.0004679200000000, -0.0001454600000000, -0.0003524200000000 ] - [ 0.0004736300000000, 0.0001736400000000, -0.0001833300000000 ] - [ -0.0002645300000000, -0.0000417900000000, -0.0002224000000000 ] - [ -0.0004252800000000, -0.0001153600000000, -0.0010805800000000 ] - [ -0.0001783800000000, 0.0001943900000000, 0.0001161300000000 ] - [ 0.0001774800000000, -0.0000483000000000, -0.0002404300000000 ] - [ 0.0003106600000000, -0.0000067100000000, 0.0001564100000000 ] - [ -0.0016505400000000, -0.0027701500000000, -0.0025814000000000 ] - [ 0.0009203800000000, -0.0003280300000000, -0.0003705600000000 ] - [ 0.0000954800000000, -0.0001105000000000, -0.0004450600000000 ] - [ -0.0018202800000000, -0.0016729800000000, 0.0027436800000000 ] - [ -0.0001551000000000, 0.0004034900000000, -0.0002313100000000 ] - [ -0.0000836500000000, -0.0000775300000000, -0.0000434000000000 ] - [ -0.0029155900000000, -0.0083584400000000, 0.0016985200000000 ] - [ 0.0002240200000000, -0.0002342400000000, -0.0003250600000000 ] - [ -0.0003387500000000, -0.0000423200000000, -0.0004448500000000 ] - [ 0.0002634000000000, -0.0000086600000000, -0.0002875800000000 ] - [ 0.0006176900000000, 0.0007552100000000, -0.0026466000000000 ] - [ -0.0009854800000000, 0.0004918800000000, -0.0017626500000000 ] - [ -0.0005304000000000, 0.0006402300000000, 0.0005719400000000 ] - [ 0.0002845100000000, 0.0000178900000000, 0.0000150000000000 ] - [ 0.0002919800000000, 0.0000073000000000, -0.0002766900000000 ] - [ 0.0011274300000000, -0.0008271500000000, 0.0004275200000000 ] - [ 0.0085281400000000, -0.0055273900000000, -0.0151460200000000 ] - [ -0.0000360200000000, 0.0000804500000000, 0.0001742600000000 ] - [ 0.0006578300000000, 0.0004398600000000, 0.0005666300000000 ] - [ -0.0001857300000000, 0.0000822100000000, -0.0003573100000000 ] - [ -0.0008299000000000, -0.0010434600000000, -0.0010990500000000 ] - [ -0.0011986800000000, 0.0001401400000000, -0.0000778700000000 ] - [ -0.0001447700000000, -0.0004112900000000, 0.0000743600000000 ] - [ -0.0000048800000000, -0.0000927400000000, -0.0000513900000000 ] - [ -0.0001798900000000, -0.0001583600000000, 0.0005652900000000 ] - [ 0.0002697900000000, 0.0001474000000000, 0.0001608100000000 ] - [ -0.0002163400000000, -0.0004507500000000, -0.0020534700000000 ] - [ 0.0000753000000000, -0.0002847300000000, -0.0001077400000000 ] - [ -0.0000010300000000, 0.0000423200000000, -0.0001654800000000 ] - [ 0.0023049700000000, -0.0000707800000000, -0.0038922200000000 ] - [ -0.0003917500000000, 0.0001510100000000, 0.0003911400000000 ] - [ 0.0015171000000000, 0.0015871700000000, -0.0001126100000000 ] - [ -0.0003980000000000, -0.0001538700000000, 0.0003834200000000 ] - [ -0.0011322700000000, -0.0019678200000000, -0.0018639100000000 ] - [ 0.0100404100000000, -0.0033351700000000, -0.0086965100000000 ] - [ 0.0001691400000000, 0.0000591700000000, -0.0001447400000000 ] - [ -0.0017271500000000, 0.0014859200000000, -0.0025195900000000 ] - [ 0.0002187100000000, -0.0001705000000000, -0.0000326700000000 ] - [ 0.0002527300000000, -0.0001573900000000, 0.0001753000000000 ] - [ 0.0002005700000000, 0.0003840600000000, -0.0000658700000000 ] - [ -0.0002632400000000, -0.0000808600000000, -0.0010349800000000 ] - [ 0.0002564100000000, -0.0001557700000000, -0.0005350300000000 ] - [ 0.0002441600000000, 0.0001026900000000, -0.0002421200000000 ] - [ -0.0002720100000000, -0.0000367500000000, 0.0001051400000000 ] - [ 0.0003131400000000, 0.0003717700000000, -0.0002733600000000 ] - [ 0.0002810000000000, 0.0001110200000000, 0.0000451400000000 ] - [ 0.0000186600000000, -0.0000312700000000, -0.0003116900000000 ] - [ -0.0047674300000000, 0.0015598900000000, -0.0024300800000000 ] - [ 0.0001156300000000, -0.0004725500000000, 0.0003498100000000 ] - [ 0.0003961400000000, -0.0001204100000000, -0.0002489900000000 ] - [ 0.0003286700000000, -0.0001866500000000, -0.0003672900000000 ] - [ 0.0000828600000000, 0.0002912300000000, -0.0000960500000000 ] - [ -0.0001681900000000, 0.0003921700000000, -0.0004238200000000 ] - [ 0.0004345900000000, 0.0001299100000000, -0.0001686000000000 ] - [ -0.0000683300000000, 0.0003980900000000, 0.0007819300000000 ] - [ -0.0000926800000000, -0.0004190200000000, 0.0000662000000000 ] - [ -0.0007651500000000, -0.0008466300000000, 0.0015987800000000 ] - [ 0.0011013400000000, 0.0001250900000000, -0.0006445500000000 ] - [ 0.0002030300000000, -0.0003823900000000, -0.0000722900000000 ] - [ -0.0000712200000000, -0.0003982700000000, 0.0007785400000000 ] - [ -0.0001434200000000, 0.0004554400000000, 0.0001666900000000 ] - [ 0.0011220500000000, -0.0000838000000000, 0.0010476700000000 ] - [ -0.0006367000000000, 0.0001344800000000, 0.0002267100000000 ] - [ 0.0002711500000000, -0.0003713200000000, -0.0002400500000000 ] - [ 0.0001145600000000, 0.0004718900000000, 0.0003511400000000 ] - [ -0.0002129800000000, 0.0001424100000000, 0.0000203900000000 ] - [ -0.0000142500000000, -0.0000430600000000, -0.0001685300000000 ] - [ -0.0001590700000000, 0.0001309300000000, -0.0006562200000000 ] - [ -0.0001738000000000, 0.0001635300000000, 0.0005720600000000 ]- atom: 68 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0004572500000000, -0.0002145500000000, 0.0033475700000000 ] - [ 0.0073301400000000, -0.0015256900000000, 0.0012584700000000 ] - [ 0.0016591600000000, -0.0001234500000000, -0.0015748000000000 ] - [ 0.0015562200000000, 0.0001874100000000, -0.0000842600000000 ] - [ -0.0009267900000000, 0.0001291100000000, -0.0003222300000000 ] - [ -0.0010637000000000, -0.0003113800000000, 0.0000476700000000 ] - [ -0.0009062700000000, -0.0001340500000000, -0.0003112900000000 ] - [ -0.0010590600000000, 0.0003111600000000, 0.0000437000000000 ] - [ 0.0033212100000000, -0.0001087800000000, -0.0011803700000000 ] - [ -0.0098194100000000, 0.0015667800000000, 0.0003436000000000 ] - [ 0.0194335900000000, -0.0032093600000000, -0.0027557200000000 ] - [ 0.0043035600000000, -0.0006094800000000, -0.0009031500000000 ] - [ -0.0027465000000000, -0.0000556200000000, -0.0004618700000000 ] - [ -0.0028640200000000, 0.0000637400000000, -0.0003889200000000 ] - [ -0.0031795100000000, 0.0004158500000000, 0.0001049700000000 ] - [ -0.0030891700000000, -0.0004070400000000, 0.0000567200000000 ] - [ 0.0113507900000000, -0.0004750100000000, 0.0066045400000000 ] - [ 0.0005933800000000, -0.0021351400000000, -0.0047985700000000 ] - [ 0.0028475400000000, 0.0015679700000000, 0.0051995100000000 ] - [ -0.0025593900000000, 0.0000527900000000, 0.0008457700000000 ] - [ 0.1587886400000000, 0.0256754600000000, 0.0727580400000000 ] - [ -0.0040005100000000, 0.0007624200000000, 0.0016296600000000 ] - [ 0.0007860400000000, 0.0008275900000000, 0.0044324300000000 ] - [ -0.0029485000000000, 0.0001218000000000, 0.0006857500000000 ] - [ 0.0086122100000000, -0.0008730100000000, -0.0005869600000000 ] - [ -0.0030737100000000, -0.0005474900000000, -0.0002681500000000 ] - [ -0.0025826400000000, 0.0004857900000000, 0.0009128200000000 ] - [ -0.0022983200000000, -0.0003338600000000, 0.0000385200000000 ] - [ -0.0039931500000000, 0.0038141700000000, -0.0070824300000000 ] - [ -0.0012815300000000, 0.0001702200000000, 0.0012733800000000 ] - [ 0.0094472700000000, 0.0007521200000000, -0.0041693100000000 ] - [ -0.0007007200000000, -0.0000185700000000, -0.0017646900000000 ] - [ -0.0022126500000000, -0.0001952300000000, -0.0002063100000000 ] - [ -0.0015151300000000, -0.0006341300000000, 0.0002002000000000 ] - [ -0.0015571700000000, 0.0006194900000000, 0.0000750200000000 ] - [ -0.0006801200000000, 0.0005490000000000, -0.0009297900000000 ] - [ -0.0032636300000000, -0.0004970300000000, 0.0000109700000000 ] - [ -0.0027115900000000, 0.0005920900000000, -0.0003417200000000 ] - [ -0.0021614400000000, -0.0007609300000000, -0.0006256600000000 ] - [ -0.0042564900000000, 0.0004400300000000, 0.0031479000000000 ] - [ -0.0032344300000000, 0.0004965900000000, -0.0000233700000000 ] - [ -0.0022568100000000, -0.0002240500000000, 0.0011409000000000 ] - [ -0.0044682600000000, -0.0007955600000000, -0.0009776700000000 ] - [ -0.0012923400000000, -0.0005429300000000, 0.0012231500000000 ] - [ -0.0020932200000000, 0.0007227700000000, -0.0004059400000000 ] - [ -0.0019149800000000, 0.0004531600000000, -0.0000846600000000 ] - [ -0.0021921500000000, 0.0001908700000000, -0.0001933300000000 ] - [ -0.0020812400000000, -0.0003091400000000, -0.0001695200000000 ] - [ -0.0047992100000000, -0.0004434700000000, -0.0015599400000000 ] - [ -0.0030329700000000, -0.0020164400000000, 0.0007701800000000 ] - [ 0.0009250400000000, 0.0002597700000000, 0.0026297600000000 ] - [ 0.0004552500000000, -0.0003238600000000, 0.0003000100000000 ] - [ 0.0019703500000000, -0.0007242900000000, -0.0003122000000000 ] - [ -0.0074696900000000, -0.0045952200000000, -0.0088312400000000 ] - [ 0.0016968800000000, -0.0012204700000000, -0.0007438400000000 ] - [ 0.0006479600000000, -0.0002963600000000, 0.0003626600000000 ] - [ 0.0010368900000000, 0.0010889800000000, -0.0079275100000000 ] - [ 0.0010670900000000, -0.0002530600000000, 0.0008285400000000 ] - [ -0.0026493800000000, -0.0016620600000000, -0.0013524200000000 ] - [ 0.0011555000000000, 0.0002284800000000, 0.0007370200000000 ] - [ 0.0084962400000000, 0.0057242600000000, 0.0113195900000000 ] - [ -0.0014151900000000, 0.0023294000000000, -0.0009087400000000 ] - [ -0.0013037200000000, 0.0000631400000000, 0.0033381100000000 ] - [ -0.0004370600000000, -0.0030912500000000, 0.0039370000000000 ] - [ 0.0007119800000000, -0.0007571000000000, -0.0015751500000000 ] - [ 0.0013406600000000, 0.0004889800000000, -0.0002343300000000 ] - [ 0.0009652400000000, 0.0001725200000000, -0.0002091100000000 ] - [ -0.2214650800000000, -0.0183206700000000, -0.0881444500000000 ] - [ -0.0064761700000000, 0.0029561200000000, 0.0025687100000000 ] - [ -0.0027456800000000, -0.0004484600000000, -0.0024046500000000 ] - [ -0.0031217100000000, 0.0011537900000000, 0.0004222100000000 ] - [ 0.0033731900000000, 0.0009063700000000, 0.0007041600000000 ] - [ 0.0014827600000000, -0.0012600700000000, 0.0016507200000000 ] - [ 0.0014267400000000, 0.0000435300000000, -0.0047685800000000 ] - [ -0.0021069100000000, -0.0002685500000000, 0.0040727300000000 ] - [ 0.0010653600000000, -0.0000674000000000, 0.0003075800000000 ] - [ 0.0027310800000000, -0.0010617100000000, -0.0014210700000000 ] - [ 0.0083210600000000, -0.0003000200000000, 0.0046444000000000 ] - [ 0.0011099200000000, 0.0008172800000000, -0.0003456300000000 ] - [ 0.0226576100000000, -0.0084817600000000, 0.0067235600000000 ] - [ 0.0002483400000000, 0.0000681600000000, 0.0006535800000000 ] - [ 0.0011564400000000, 0.0009279300000000, 0.0009628100000000 ] - [ 0.0023156400000000, 0.0008235500000000, -0.0005652800000000 ] - [ -0.0031736000000000, 0.0000647800000000, -0.0010042100000000 ] - [ -0.0076336100000000, -0.0047547800000000, 0.0021099600000000 ] - [ 0.0010441000000000, -0.0001826600000000, -0.0002213200000000 ] - [ 0.0012682400000000, -0.0009757100000000, 0.0009966000000000 ] - [ -0.0003651700000000, 0.0008648400000000, 0.0002932100000000 ] - [ -0.0045914500000000, -0.0000079300000000, -0.0009862600000000 ] - [ -0.0035879300000000, 0.0011409600000000, -0.0002799000000000 ] - [ 0.0004537400000000, -0.0007254900000000, -0.0001010800000000 ] - [ 0.0010220500000000, 0.0000793000000000, 0.0001383900000000 ] - [ -0.0009533900000000, 0.0007940200000000, -0.0012680300000000 ] - [ 0.0006211600000000, 0.0000358900000000, -0.0008642600000000 ] - [ 0.0070323300000000, 0.0079942000000000, 0.0014679500000000 ] - [ 0.0005456300000000, 0.0005596300000000, 0.0007485600000000 ] - [ 0.0003863700000000, 0.0003060100000000, -0.0003854500000000 ] - [ 0.0010335000000000, 0.0002496900000000, -0.0004566800000000 ] - [ 0.0005503300000000, -0.0001140500000000, -0.0000131300000000 ] - [ 0.0006693200000000, -0.0006097500000000, 0.0018363000000000 ] - [ 0.0018420800000000, -0.0007074600000000, -0.0005151500000000 ] - [ 0.0005663500000000, 0.0001588500000000, -0.0001340300000000 ] - [ 0.0021272700000000, -0.0012082800000000, -0.0007604900000000 ] - [ 0.0005859200000000, -0.0000215900000000, -0.0005380200000000 ] - [ 0.0010599600000000, -0.0001702700000000, 0.0000316500000000 ] - [ -0.0005172500000000, -0.0001575700000000, 0.0002648500000000 ] - [ 0.0010417400000000, 0.0004075500000000, -0.0004211800000000 ] - [ 0.0062326600000000, -0.0000311600000000, 0.0034601900000000 ] - [ 0.0011628200000000, -0.0004290400000000, 0.0004110500000000 ] - [ 0.0011659900000000, 0.0004104400000000, 0.0004528200000000 ] - [ 0.0008021800000000, 0.0000551400000000, -0.0003612600000000 ] - [ 0.0010382100000000, -0.0003880200000000, -0.0004548700000000 ] - [ 0.0012361600000000, 0.0003061800000000, 0.0001541600000000 ] - [ 0.0011353800000000, 0.0002634800000000, -0.0000025900000000 ] - [ -0.0002387000000000, 0.0009046700000000, 0.0003086900000000 ] - [ 0.0021977200000000, -0.0000045200000000, 0.0005363200000000 ] - [ 0.0003879500000000, -0.0003083500000000, -0.0003880700000000 ] - [ 0.0018472500000000, 0.0002396500000000, 0.0001839700000000 ] - [ 0.0010419600000000, -0.0005862500000000, -0.0004492800000000 ] - [ 0.0017160100000000, 0.0007771800000000, 0.0000996500000000 ] - [ 0.0011329700000000, -0.0002811400000000, -0.0000725200000000 ] - [ 0.0008094400000000, -0.0000666100000000, -0.0003132700000000 ] - [ 0.0010539700000000, 0.0001604000000000, 0.0000012400000000 ] - [ 0.0003780900000000, -0.0014838700000000, -0.0015291300000000 ] - [ 0.0016746400000000, -0.0005558300000000, -0.0001052600000000 ] - [ 0.0018293800000000, -0.0002142100000000, 0.0001344000000000 ] - [ 0.0010264800000000, 0.0008655800000000, -0.0004708200000000 ] - [ 0.0010556400000000, -0.0002602100000000, -0.0004691800000000 ] - [ 0.0014989100000000, 0.0004988200000000, -0.0001317500000000 ] - [ -0.0007024600000000, 0.0005902500000000, 0.0019472600000000 ] - [ 0.0008577500000000, -0.0002122700000000, -0.0001563100000000 ] - [ 0.0005482100000000, -0.0001573700000000, -0.0001338900000000 ] - [ 0.0012349000000000, 0.0004006000000000, -0.0005100100000000 ] - [ 0.0026995800000000, 0.0020106700000000, -0.0010380000000000 ] - [ 0.0016075300000000, -0.0035308500000000, -0.0030732300000000 ] - [ 0.0007213900000000, 0.0002063200000000, -0.0000971800000000 ] - [ 0.0021760300000000, 0.0000032300000000, 0.0005403400000000 ] - [ 0.0012279800000000, -0.0003943900000000, -0.0005042200000000 ] - [ 0.0016485400000000, -0.0008445200000000, 0.0002573800000000 ] - [ 0.0011967300000000, -0.0006526100000000, 0.0019979600000000 ] - [ 0.0005569200000000, 0.0000924100000000, 0.0000563500000000 ] - [ 0.0006893600000000, 0.0003428500000000, 0.0000717000000000 ] - [ 0.0010695600000000, 0.0005995900000000, -0.0004691700000000 ] - [ 0.0004182700000000, 0.0002666200000000, -0.0002214700000000 ]- atom: 68 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0004639200000000, 0.0004526900000000, -0.0039420500000000 ] - [ -0.0080282800000000, 0.0009858600000000, -0.0009528500000000 ] - [ -0.0016763900000000, -0.0001132600000000, 0.0009799200000000 ] - [ -0.0022485000000000, 0.0003300900000000, 0.0004234400000000 ] - [ 0.0008995800000000, 0.0001074400000000, -0.0002751500000000 ] - [ 0.0003803200000000, -0.0002072100000000, 0.0002849600000000 ] - [ 0.0008787200000000, -0.0001033300000000, -0.0002866700000000 ] - [ 0.0003756600000000, 0.0002068400000000, 0.0002888200000000 ] - [ -0.0030847800000000, 0.0004135500000000, 0.0004867100000000 ] - [ 0.0100204900000000, -0.0018389600000000, -0.0010769900000000 ] - [ -0.0213887800000000, 0.0043558200000000, 0.0032607500000000 ] - [ -0.0045293600000000, 0.0001052500000000, 0.0011036900000000 ] - [ 0.0029740400000000, 0.0003598000000000, -0.0002370100000000 ] - [ 0.0030931400000000, -0.0003681300000000, -0.0003105900000000 ] - [ 0.0030031300000000, 0.0000926500000000, 0.0000943400000000 ] - [ 0.0029130400000000, -0.0001018700000000, 0.0001428800000000 ] - [ -0.0114503000000000, 0.0003458400000000, -0.0066351200000000 ] - [ 0.0005984200000000, 0.0004538500000000, 0.0056224200000000 ] - [ -0.0016309600000000, 0.0000452100000000, -0.0044075200000000 ] - [ 0.0019963700000000, 0.0010992400000000, 0.0008208600000000 ] - [ -0.1508199300000000, -0.0235116500000000, -0.0675541800000000 ] - [ 0.0041096500000000, -0.0005920900000000, -0.0020959100000000 ] - [ -0.0003756300000000, -0.0009853900000000, -0.0046189000000000 ] - [ 0.0023851900000000, -0.0012739600000000, 0.0009790500000000 ] - [ -0.0077719400000000, 0.0009184300000000, 0.0002463300000000 ] - [ 0.0037753700000000, 0.0001095600000000, 0.0006419200000000 ] - [ 0.0026582200000000, 0.0002054300000000, -0.0009577400000000 ] - [ 0.0023758500000000, -0.0003566300000000, -0.0000842100000000 ] - [ 0.0044173200000000, -0.0036812500000000, 0.0068901300000000 ] - [ 0.0019840000000000, 0.0002664900000000, -0.0008928600000000 ] - [ -0.0095703300000000, -0.0006435200000000, 0.0040142600000000 ] - [ 0.0008183300000000, -0.0001488600000000, 0.0013015100000000 ] - [ 0.0021956800000000, 0.0000951000000000, 0.0001104100000000 ] - [ 0.0027817900000000, -0.0009827900000000, 0.0006288700000000 ] - [ 0.0028239100000000, 0.0009971400000000, 0.0007537900000000 ] - [ 0.0000915200000000, 0.0005998500000000, 0.0026046400000000 ] - [ 0.0041045200000000, 0.0004484300000000, -0.0003426000000000 ] - [ 0.0028313000000000, -0.0004267100000000, -0.0001231400000000 ] - [ 0.0025674200000000, 0.0006035300000000, 0.0004270600000000 ] - [ 0.0037157300000000, -0.0016071900000000, -0.0015103600000000 ] - [ 0.0040748300000000, -0.0004480200000000, -0.0003077900000000 ] - [ 0.0029606700000000, -0.0002136600000000, -0.0007705400000000 ] - [ 0.0045650000000000, 0.0015017000000000, 0.0009549100000000 ] - [ 0.0013561700000000, -0.0001472900000000, -0.0012791000000000 ] - [ 0.0024988400000000, -0.0005650700000000, 0.0002048400000000 ] - [ 0.0026125100000000, -0.0000189000000000, 0.0004697100000000 ] - [ 0.0021752800000000, -0.0000906300000000, 0.0000977700000000 ] - [ 0.0021933700000000, 0.0001402900000000, -0.0002988700000000 ] - [ 0.0037709000000000, 0.0007141300000000, 0.0009101900000000 ] - [ 0.0024575800000000, 0.0010764700000000, -0.0010917700000000 ] - [ -0.0012544300000000, -0.0004882100000000, -0.0026598300000000 ] - [ -0.0009323400000000, 0.0000519300000000, 0.0008465400000000 ] - [ -0.0016967800000000, 0.0011671500000000, 0.0007282100000000 ] - [ 0.0066964800000000, 0.0045819100000000, 0.0077651400000000 ] - [ -0.0017816000000000, 0.0007786800000000, 0.0006194400000000 ] - [ -0.0007814900000000, 0.0004189000000000, -0.0006750600000000 ] - [ -0.0005293600000000, -0.0010587700000000, 0.0083259200000000 ] - [ -0.0021311700000000, 0.0006294500000000, -0.0001261000000000 ] - [ 0.0025846600000000, 0.0017956400000000, 0.0003840700000000 ] - [ -0.0022188700000000, -0.0006043800000000, -0.0000341400000000 ] - [ -0.0079127800000000, -0.0070603400000000, -0.0106428600000000 ] - [ 0.0021024000000000, -0.0010406900000000, 0.0017249600000000 ] - [ 0.0013612500000000, 0.0000232500000000, -0.0037682500000000 ] - [ 0.0003764000000000, 0.0030200700000000, -0.0049597100000000 ] - [ -0.0003809600000000, 0.0003950500000000, 0.0015825600000000 ] - [ -0.0010672700000000, -0.0009313800000000, 0.0006492000000000 ] - [ -0.0007077400000000, 0.0006312800000000, 0.0000971400000000 ] - [ 0.2158037200000000, 0.0156237100000000, 0.0822018900000000 ] - [ 0.0054479200000000, -0.0032324300000000, -0.0032796200000000 ] - [ 0.0030123900000000, 0.0007312000000000, 0.0016894600000000 ] - [ 0.0024385200000000, -0.0011819400000000, -0.0009740000000000 ] - [ -0.0030443800000000, -0.0002456100000000, -0.0012930500000000 ] - [ -0.0011552700000000, 0.0016250600000000, -0.0016437300000000 ] - [ -0.0013623100000000, -0.0001273500000000, 0.0043206100000000 ] - [ 0.0026107400000000, 0.0002289500000000, -0.0037544600000000 ] - [ -0.0010042000000000, -0.0009499400000000, 0.0004163900000000 ] - [ -0.0021056700000000, 0.0008799200000000, 0.0009844900000000 ] - [ -0.0080451700000000, 0.0000252600000000, -0.0053329300000000 ] - [ -0.0011970800000000, -0.0003776300000000, 0.0002211400000000 ] - [ -0.0226459600000000, 0.0091785600000000, -0.0068754400000000 ] - [ 0.0003690000000000, 0.0001085900000000, -0.0010862600000000 ] - [ -0.0015289300000000, -0.0002321300000000, 0.0005622200000000 ] - [ -0.0027107400000000, -0.0017373900000000, 0.0008455900000000 ] - [ 0.0023458200000000, -0.0001278900000000, 0.0000468000000000 ] - [ 0.0080351500000000, 0.0047212800000000, -0.0027028300000000 ] - [ -0.0007865500000000, -0.0006213100000000, 0.0001097100000000 ] - [ -0.0016405100000000, 0.0002795700000000, 0.0005284400000000 ] - [ -0.0000358000000000, 0.0000529200000000, -0.0000188500000000 ] - [ 0.0048163700000000, 0.0000572800000000, 0.0008594400000000 ] - [ 0.0039857000000000, -0.0010575600000000, -0.0002120500000000 ] - [ -0.0001290600000000, 0.0000633400000000, -0.0004945400000000 ] - [ -0.0009607200000000, 0.0009382400000000, 0.0005843700000000 ] - [ 0.0006165200000000, -0.0005567900000000, 0.0012219500000000 ] - [ -0.0007536300000000, -0.0001592100000000, 0.0005475000000000 ] - [ -0.0075910900000000, -0.0078538200000000, -0.0019424600000000 ] - [ -0.0010232200000000, -0.0002878100000000, 0.0003985600000000 ] - [ -0.0014341100000000, -0.0000375200000000, -0.0003080100000000 ] - [ -0.0016079300000000, -0.0011899500000000, 0.0001362400000000 ] - [ -0.0008823400000000, -0.0001187500000000, -0.0000278200000000 ] - [ -0.0011484800000000, 0.0003409100000000, -0.0007096200000000 ] - [ -0.0015721100000000, 0.0011516600000000, 0.0009336200000000 ] - [ -0.0014121600000000, -0.0001041400000000, -0.0008414000000000 ] - [ -0.0022228700000000, 0.0007696900000000, 0.0006389600000000 ] - [ -0.0007185700000000, 0.0001430000000000, 0.0002263900000000 ] - [ -0.0005848700000000, 0.0002192600000000, 0.0003089200000000 ] - [ -0.0005307700000000, 0.0005313500000000, 0.0004435400000000 ] - [ -0.0011403200000000, -0.0002934800000000, -0.0005528700000000 ] - [ -0.0073659400000000, -0.0003405700000000, -0.0028023800000000 ] - [ -0.0005011400000000, -0.0008772600000000, 0.0003990200000000 ] - [ -0.0005041900000000, 0.0008959100000000, 0.0003569100000000 ] - [ -0.0007390400000000, 0.0000312200000000, -0.0000717700000000 ] - [ -0.0011365500000000, 0.0002738100000000, -0.0005190700000000 ] - [ -0.0009062500000000, -0.0006665500000000, -0.0001457600000000 ] - [ -0.0008549400000000, -0.0007013400000000, 0.0004160700000000 ] - [ 0.0005079200000000, -0.0001063500000000, -0.0004235300000000 ] - [ -0.0019920600000000, -0.0000432400000000, -0.0006604700000000 ] - [ -0.0014357300000000, 0.0000397700000000, -0.0003057400000000 ] - [ -0.0015720500000000, 0.0000467500000000, -0.0008921800000000 ] - [ -0.0017231800000000, 0.0005581800000000, -0.0000990800000000 ] - [ -0.0013903800000000, -0.0001143400000000, -0.0006927600000000 ] - [ -0.0008021500000000, 0.0006414400000000, 0.0000844800000000 ] - [ -0.0007464500000000, -0.0000193500000000, -0.0001200100000000 ] - [ -0.0005786500000000, -0.0002092800000000, 0.0003392500000000 ] - [ -0.0003089600000000, 0.0004851900000000, 0.0022733300000000 ] - [ -0.0010558100000000, 0.0003787200000000, -0.0003266800000000 ] - [ -0.0015544700000000, -0.0000725400000000, -0.0008419900000000 ] - [ -0.0011078500000000, -0.0004232000000000, 0.0003460300000000 ] - [ -0.0016302100000000, 0.0012004800000000, 0.0001489200000000 ] - [ -0.0008778100000000, -0.0003210000000000, -0.0002997800000000 ] - [ 0.0003492400000000, 0.0001095700000000, -0.0004252400000000 ] - [ -0.0012590500000000, -0.0007055500000000, 0.0004335600000000 ] - [ -0.0013940600000000, 0.0001028900000000, -0.0008417000000000 ] - [ -0.0008528400000000, -0.0004894000000000, -0.0000133500000000 ] - [ -0.0024594700000000, -0.0028456600000000, 0.0009308400000000 ] - [ -0.0019916400000000, 0.0028795000000000, 0.0046655000000000 ] - [ -0.0011213100000000, 0.0007116500000000, 0.0003738100000000 ] - [ -0.0019696100000000, 0.0000451200000000, -0.0006650900000000 ] - [ -0.0008460300000000, 0.0004830700000000, -0.0000196600000000 ] - [ -0.0013212400000000, 0.0001821000000000, -0.0008516000000000 ] - [ -0.0011279000000000, 0.0016707400000000, -0.0012850900000000 ] - [ -0.0008897200000000, 0.0001411100000000, -0.0000983500000000 ] - [ -0.0008226000000000, -0.0004680600000000, -0.0003909500000000 ] - [ -0.0017510200000000, -0.0005717900000000, -0.0000790000000000 ] - [ -0.0008950900000000, 0.0000072900000000, 0.0013777400000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001974400000000, 0.0006935200000000, -0.0003317400000000 ] - [ -0.0014041600000000, 0.0003617800000000, 0.0007678000000000 ] - [ 0.0000587000000000, -0.0002341900000000, -0.0003676700000000 ] - [ -0.0003344900000000, 0.0003379500000000, 0.0000412300000000 ] - [ -0.0000220100000000, 0.0001186200000000, -0.0002980000000000 ] - [ -0.0003485600000000, -0.0002596700000000, 0.0001656500000000 ] - [ -0.0000228800000000, -0.0001185400000000, -0.0002997900000000 ] - [ -0.0003492900000000, 0.0002595100000000, 0.0001644000000000 ] - [ 0.0003079200000000, 0.0001346400000000, -0.0006030700000000 ] - [ 0.0001662100000000, -0.0035240800000000, -0.0002034500000000 ] - [ -0.0100822300000000, 0.0078677900000000, 0.0032113400000000 ] - [ -0.0001402900000000, -0.0002410700000000, -0.0003281400000000 ] - [ 0.0000788200000000, 0.0001483600000000, -0.0003519400000000 ] - [ 0.0000900100000000, -0.0001509400000000, -0.0003495000000000 ] - [ -0.0001183200000000, 0.0002547200000000, 0.0001052700000000 ] - [ -0.0001187200000000, -0.0002571400000000, 0.0000938000000000 ] - [ -0.0043908600000000, -0.0016101000000000, -0.0005300900000000 ] - [ -0.0001197100000000, -0.0028481500000000, 0.0000136200000000 ] - [ 0.0009836700000000, 0.0007924600000000, 0.0005925000000000 ] - [ -0.0002922400000000, 0.0005766400000000, 0.0008234400000000 ] - [ 0.0377352900000000, 0.0361145900000000, 0.0248863200000000 ] - [ 0.0001878800000000, 0.0002859500000000, -0.0001565700000000 ] - [ 0.0004763300000000, -0.0000471400000000, -0.0002199900000000 ] - [ -0.0003262700000000, -0.0005598400000000, 0.0008393700000000 ] - [ 0.0006699400000000, -0.0003180800000000, -0.0005877100000000 ] - [ 0.0002495700000000, -0.0002376100000000, 0.0001907400000000 ] - [ 0.0000275600000000, 0.0003392200000000, 0.0000032500000000 ] - [ 0.0000023800000000, -0.0003413600000000, -0.0000445000000000 ] - [ -0.0000189900000000, 0.0013014000000000, -0.0004320900000000 ] - [ 0.0003852700000000, 0.0002257100000000, 0.0001688700000000 ] - [ -0.0002266800000000, 0.0025073200000000, -0.0002667100000000 ] - [ 0.0001188900000000, -0.0001076900000000, -0.0003855100000000 ] - [ -0.0000324400000000, -0.0000508600000000, -0.0000491800000000 ] - [ 0.0006156700000000, -0.0008062900000000, 0.0004156000000000 ] - [ 0.0006058200000000, 0.0008068500000000, 0.0004071300000000 ] - [ -0.0005649700000000, 0.0005485100000000, 0.0007833600000000 ] - [ 0.0003843200000000, -0.0000299100000000, -0.0001637000000000 ] - [ 0.0000542200000000, 0.0000752700000000, -0.0002111800000000 ] - [ 0.0001792900000000, -0.0000841300000000, -0.0000973400000000 ] - [ -0.0001373600000000, -0.0009822900000000, 0.0008752400000000 ] - [ 0.0003828700000000, 0.0000303700000000, -0.0001640300000000 ] - [ 0.0003513000000000, -0.0002154500000000, 0.0001509700000000 ] - [ 0.0001687000000000, 0.0005475200000000, 0.0001911200000000 ] - [ -0.0000359300000000, -0.0003397200000000, -0.0001088100000000 ] - [ 0.0001813900000000, 0.0000864500000000, -0.0001113600000000 ] - [ 0.0002811600000000, 0.0001949400000000, 0.0002401600000000 ] - [ -0.0000296400000000, 0.0000512900000000, -0.0000482300000000 ] - [ 0.0000212300000000, -0.0000885200000000, -0.0002513800000000 ] - [ -0.0005573800000000, 0.0004186800000000, -0.0014462000000000 ] - [ -0.0003734100000000, -0.0004585300000000, -0.0000964000000000 ] - [ -0.0006124800000000, -0.0002621900000000, -0.0004579500000000 ] - [ -0.0002399200000000, -0.0001304000000000, 0.0005646700000000 ] - [ 0.0001870000000000, 0.0001973200000000, 0.0001896300000000 ] - [ -0.0016714300000000, 0.0169080000000000, 0.0099721100000000 ] - [ -0.0000398600000000, -0.0002250900000000, -0.0000739600000000 ] - [ -0.0000454000000000, 0.0000481900000000, -0.0001450900000000 ] - [ 0.0007186000000000, -0.0002750900000000, -0.0003544500000000 ] - [ -0.0005086500000000, 0.0001789200000000, 0.0003631800000000 ] - [ -0.0004095800000000, -0.0003572300000000, -0.0003464300000000 ] - [ -0.0005240200000000, -0.0001861900000000, 0.0003493400000000 ] - [ 0.0047416800000000, -0.0003084700000000, 0.0031327100000000 ] - [ -0.0000214600000000, 0.0009490500000000, 0.0005505300000000 ] - [ -0.0000098600000000, -0.0000130400000000, 0.0000762100000000 ] - [ -0.0013008300000000, 0.0026751600000000, -0.0023535800000000 ] - [ 0.0000953000000000, -0.0002575800000000, -0.0000665800000000 ] - [ 0.0001315700000000, -0.0002274600000000, 0.0002187500000000 ] - [ 0.0001342000000000, 0.0004008200000000, -0.0000553800000000 ] - [ -0.0168154000000000, -0.0629631100000000, -0.0335012900000000 ] - [ 0.0007240900000000, -0.0013551000000000, -0.0013425300000000 ] - [ 0.0000696000000000, 0.0001842000000000, -0.0002852500000000 ] - [ -0.0004594800000000, 0.0000805800000000, -0.0000822800000000 ] - [ 0.0002998900000000, 0.0003281800000000, -0.0003238900000000 ] - [ 0.0002369700000000, 0.0000266300000000, 0.0001719000000000 ] - [ -0.0001249000000000, 0.0001735100000000, -0.0002003600000000 ] - [ 0.0003507200000000, 0.0001152800000000, 0.0003120500000000 ] - [ 0.0000451400000000, -0.0005032300000000, 0.0003617700000000 ] - [ 0.0004225400000000, -0.0001849800000000, -0.0002454800000000 ] - [ 0.0017933400000000, -0.0002245600000000, 0.0000387900000000 ] - [ -0.0000306700000000, 0.0002276700000000, -0.0000497100000000 ] - [ -0.0176270500000000, -0.0002318700000000, -0.0072166400000000 ] - [ 0.0002892700000000, 0.0000861500000000, -0.0001535100000000 ] - [ -0.0001756900000000, 0.0003523200000000, 0.0007669200000000 ] - [ -0.0003549800000000, -0.0003369800000000, -0.0000161400000000 ] - [ -0.0003988900000000, -0.0002893500000000, -0.0002337300000000 ] - [ -0.0001670800000000, 0.0011937000000000, -0.0027925200000000 ] - [ 0.0001424800000000, -0.0003975200000000, -0.0000632500000000 ] - [ -0.0001656000000000, -0.0003573400000000, 0.0007646200000000 ] - [ -0.0002647700000000, 0.0005062500000000, 0.0002342400000000 ] - [ 0.0001453200000000, 0.0000437500000000, 0.0001419700000000 ] - [ 0.0003151200000000, -0.0003811600000000, 0.0010002500000000 ] - [ 0.0001216600000000, -0.0003392800000000, -0.0002620400000000 ] - [ 0.0000371600000000, 0.0005044700000000, 0.0003623400000000 ] - [ -0.0002498900000000, 0.0000971300000000, 0.0000373600000000 ] - [ -0.0000731100000000, -0.0000630900000000, -0.0001658400000000 ] - [ 0.0086928000000000, 0.0026398300000000, 0.0052605100000000 ] - [ -0.0002220500000000, 0.0001470100000000, 0.0005825200000000 ] - [ -0.0005140900000000, 0.0001372500000000, -0.0003470500000000 ] - [ -0.0002725100000000, -0.0004617800000000, -0.0001637200000000 ] - [ -0.0001596200000000, -0.0001174000000000, -0.0000184500000000 ] - [ -0.0002356400000000, -0.0001103600000000, 0.0004424000000000 ] - [ 0.0001179400000000, 0.0002437100000000, 0.0002073700000000 ] - [ -0.0004117600000000, 0.0000286500000000, -0.0004854300000000 ] - [ -0.0000842900000000, -0.0002313600000000, -0.0000648700000000 ] - [ -0.0000593400000000, 0.0000484300000000, -0.0001381100000000 ] - [ 0.0002483000000000, 0.0000214100000000, 0.0001679700000000 ] - [ -0.0004602900000000, 0.0001362600000000, 0.0003997800000000 ] - [ -0.0000355600000000, 0.0000624800000000, -0.0004853000000000 ] - [ -0.0011396100000000, 0.0000207800000000, -0.0001314500000000 ] - [ 0.0003397800000000, -0.0006497900000000, 0.0004036100000000 ] - [ 0.0003412700000000, 0.0006482200000000, 0.0004078400000000 ] - [ 0.0000374600000000, 0.0000438000000000, -0.0002142700000000 ] - [ -0.0000385900000000, -0.0000609900000000, -0.0004877600000000 ] - [ 0.0001748800000000, -0.0001760500000000, -0.0000108800000000 ] - [ 0.0002173600000000, -0.0001679000000000, 0.0001977300000000 ] - [ 0.0001586000000000, 0.0004282800000000, 0.0000002600000000 ] - [ 0.0001236000000000, -0.0000239900000000, -0.0000577000000000 ] - [ -0.0005132900000000, -0.0001373500000000, -0.0003468900000000 ] - [ 0.0001550700000000, 0.0001419600000000, -0.0003506900000000 ] - [ -0.0003259500000000, -0.0000208000000000, -0.0002770200000000 ] - [ 0.0001722100000000, 0.0003327700000000, -0.0002916800000000 ] - [ 0.0001764800000000, 0.0001744900000000, 0.0000174300000000 ] - [ 0.0000383000000000, -0.0000422500000000, -0.0002197200000000 ] - [ 0.0002465700000000, -0.0000217200000000, 0.0001682100000000 ] - [ 0.0000430800000000, -0.0004695800000000, 0.0003836600000000 ] - [ 0.0003169100000000, -0.0000909000000000, -0.0002195400000000 ] - [ 0.0001536200000000, -0.0001439000000000, -0.0003479500000000 ] - [ -0.0000165500000000, 0.0002314900000000, -0.0000557900000000 ] - [ -0.0002738300000000, 0.0004623800000000, -0.0001638500000000 ] - [ 0.0003261700000000, 0.0000930300000000, -0.0002128200000000 ] - [ -0.0000207500000000, 0.0004756100000000, 0.0009347300000000 ] - [ -0.0001945100000000, -0.0004540300000000, 0.0001358900000000 ] - [ -0.0004127500000000, -0.0000285500000000, -0.0004847900000000 ] - [ 0.0002026400000000, -0.0000395100000000, -0.0002640200000000 ] - [ 0.0002880400000000, -0.0006097400000000, -0.0001630000000000 ] - [ -0.0005468900000000, -0.0000076300000000, 0.0008123900000000 ] - [ -0.0001879700000000, 0.0004586300000000, 0.0001396100000000 ] - [ 0.0001256100000000, 0.0000242500000000, -0.0000565400000000 ] - [ 0.0002019800000000, 0.0000395700000000, -0.0002644500000000 ] - [ 0.0001914400000000, -0.0003369000000000, -0.0002923400000000 ] - [ 0.0001862400000000, 0.0005647300000000, 0.0003611600000000 ] - [ -0.0001594900000000, 0.0001192700000000, -0.0000220700000000 ] - [ -0.0000534100000000, -0.0000675200000000, -0.0001828600000000 ] - [ -0.0003274600000000, 0.0000201300000000, -0.0002770900000000 ] - [ -0.0002358600000000, 0.0001498900000000, 0.0006266700000000 ]- atom: 68 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002281200000000, -0.0004550100000000, -0.0002726500000000 ] - [ 0.0008122100000000, -0.0012435400000000, -0.0005903200000000 ] - [ -0.0000988500000000, -0.0000025400000000, -0.0002267600000000 ] - [ -0.0003552900000000, 0.0001799000000000, 0.0002876700000000 ] - [ -0.0000053800000000, 0.0001180000000000, -0.0002995400000000 ] - [ -0.0003352700000000, -0.0002586900000000, 0.0001668400000000 ] - [ -0.0000045700000000, -0.0001190000000000, -0.0002981100000000 ] - [ -0.0003345600000000, 0.0002582200000000, 0.0001680900000000 ] - [ -0.0001004300000000, 0.0001702000000000, -0.0000906300000000 ] - [ 0.0000703900000000, 0.0032183400000000, -0.0005199900000000 ] - [ 0.0097888000000000, -0.0074533500000000, -0.0030140600000000 ] - [ -0.0000492900000000, -0.0002682700000000, 0.0005260000000000 ] - [ 0.0001486900000000, 0.0001557200000000, -0.0003479500000000 ] - [ 0.0001374100000000, -0.0001532300000000, -0.0003502800000000 ] - [ -0.0000604200000000, 0.0002541500000000, 0.0000945800000000 ] - [ -0.0000601700000000, -0.0002522100000000, 0.0001065100000000 ] - [ 0.0043023700000000, 0.0015639200000000, 0.0003924200000000 ] - [ 0.0013673200000000, 0.0012221700000000, 0.0008119300000000 ] - [ 0.0002790400000000, 0.0008271100000000, 0.0002406800000000 ] - [ -0.0002725800000000, 0.0005742900000000, 0.0008427900000000 ] - [ -0.0372067400000000, -0.0366583000000000, -0.0254276800000000 ] - [ -0.0000710900000000, -0.0001172100000000, -0.0003185300000000 ] - [ -0.0000808700000000, -0.0001168200000000, 0.0000092300000000 ] - [ -0.0002369600000000, -0.0005919600000000, 0.0008262600000000 ] - [ 0.0001353500000000, 0.0003713800000000, 0.0002579500000000 ] - [ 0.0004561800000000, -0.0001998900000000, 0.0001880300000000 ] - [ 0.0000470500000000, 0.0003526100000000, -0.0000502500000000 ] - [ 0.0000725700000000, -0.0003505400000000, 0.0000008800000000 ] - [ 0.0004429300000000, -0.0011773900000000, 0.0002675900000000 ] - [ 0.0003132200000000, 0.0002125800000000, 0.0002078100000000 ] - [ 0.0001924100000000, -0.0024112700000000, 0.0001761500000000 ] - [ -0.0000095200000000, -0.0000610500000000, -0.0000734400000000 ] - [ 0.0000138600000000, -0.0000492800000000, -0.0000474600000000 ] - [ 0.0006485800000000, -0.0008104600000000, 0.0004124000000000 ] - [ 0.0006585700000000, 0.0008096400000000, 0.0004212800000000 ] - [ -0.0000004100000000, 0.0006020500000000, 0.0008833000000000 ] - [ 0.0004531200000000, -0.0000194700000000, -0.0001669100000000 ] - [ 0.0000606300000000, 0.0000924600000000, -0.0002560100000000 ] - [ 0.0002268700000000, -0.0000748100000000, -0.0001037800000000 ] - [ -0.0004249400000000, -0.0001682500000000, 0.0007889100000000 ] - [ 0.0004544300000000, 0.0000187600000000, -0.0001663800000000 ] - [ 0.0003505500000000, -0.0002228800000000, 0.0002262100000000 ] - [ -0.0000961200000000, 0.0001419500000000, -0.0002383900000000 ] - [ 0.0001105900000000, -0.0003518100000000, 0.0000627500000000 ] - [ 0.0002250800000000, 0.0000722100000000, -0.0000893600000000 ] - [ 0.0004205400000000, 0.0002433000000000, 0.0001365800000000 ] - [ 0.0000108300000000, 0.0000488900000000, -0.0000482800000000 ] - [ 0.0000940500000000, -0.0000791300000000, -0.0002160200000000 ] - [ -0.0004743200000000, -0.0001490900000000, 0.0007445900000000 ] - [ -0.0001860200000000, -0.0004730800000000, -0.0002278700000000 ] - [ 0.0002813700000000, 0.0000321200000000, 0.0004109400000000 ] - [ -0.0002360700000000, -0.0001424600000000, 0.0005832000000000 ] - [ 0.0000851300000000, 0.0002462700000000, 0.0002262800000000 ] - [ 0.0007505700000000, -0.0166406100000000, -0.0107260400000000 ] - [ -0.0000439900000000, -0.0002171100000000, -0.0000498600000000 ] - [ -0.0000870400000000, 0.0000751600000000, -0.0001719400000000 ] - [ -0.0002335300000000, 0.0003246700000000, 0.0006783700000000 ] - [ -0.0005522600000000, 0.0001983000000000, 0.0003398400000000 ] - [ 0.0003113600000000, 0.0004707400000000, -0.0006214800000000 ] - [ -0.0005368200000000, -0.0001904700000000, 0.0003544700000000 ] - [ -0.0040725400000000, -0.0009921100000000, -0.0023197700000000 ] - [ 0.0006822900000000, 0.0003577800000000, 0.0002630900000000 ] - [ 0.0000821000000000, 0.0000999600000000, -0.0005219600000000 ] - [ 0.0011867500000000, -0.0027837500000000, 0.0013678700000000 ] - [ 0.0002391400000000, -0.0000992100000000, 0.0000810000000000 ] - [ 0.0001438400000000, -0.0002145700000000, 0.0001956900000000 ] - [ 0.0001255900000000, 0.0004017700000000, -0.0000567900000000 ] - [ 0.0171077700000000, 0.0636300700000000, 0.0336262400000000 ] - [ -0.0017206500000000, 0.0010483000000000, 0.0006271800000000 ] - [ 0.0002205700000000, 0.0001017200000000, -0.0004175100000000 ] - [ -0.0002063700000000, -0.0001152500000000, -0.0004682300000000 ] - [ 0.0000195200000000, 0.0003337500000000, -0.0002699400000000 ] - [ 0.0000920200000000, 0.0003400100000000, -0.0001705800000000 ] - [ 0.0001890500000000, -0.0002593000000000, -0.0002200000000000 ] - [ 0.0001313000000000, -0.0001615500000000, 0.0000205100000000 ] - [ 0.0000170000000000, -0.0005138700000000, 0.0003615100000000 ] - [ 0.0001990000000000, 0.0000080900000000, -0.0001813000000000 ] - [ -0.0015775100000000, -0.0000651300000000, -0.0007673700000000 ] - [ -0.0000527800000000, 0.0002142400000000, -0.0000758300000000 ] - [ 0.0172105600000000, 0.0011678300000000, 0.0068437200000000 ] - [ 0.0003345600000000, 0.0000919700000000, -0.0002804400000000 ] - [ -0.0001942800000000, 0.0003446700000000, 0.0007562500000000 ] - [ -0.0000478700000000, -0.0005831100000000, 0.0002968700000000 ] - [ -0.0004401600000000, 0.0002362500000000, -0.0007416500000000 ] - [ 0.0005926300000000, -0.0012636900000000, 0.0023046200000000 ] - [ 0.0001170100000000, -0.0004052100000000, -0.0000485900000000 ] - [ -0.0002047800000000, -0.0003398000000000, 0.0007583300000000 ] - [ -0.0001312300000000, 0.0004098000000000, 0.0000394000000000 ] - [ 0.0000783600000000, 0.0000027000000000, -0.0002575500000000 ] - [ 0.0000801900000000, 0.0004652500000000, -0.0015284300000000 ] - [ 0.0002088600000000, -0.0003244600000000, -0.0003321100000000 ] - [ 0.0000253500000000, 0.0005127300000000, 0.0003606600000000 ] - [ -0.0000783000000000, 0.0001373700000000, -0.0000788400000000 ] - [ -0.0000583500000000, -0.0000595100000000, -0.0001485300000000 ] - [ -0.0091874700000000, -0.0025823200000000, -0.0057639500000000 ] - [ -0.0002547100000000, 0.0001245900000000, 0.0005637300000000 ] - [ -0.0005315200000000, 0.0001320600000000, -0.0003466900000000 ] - [ -0.0002994300000000, -0.0004768000000000, -0.0001573400000000 ] - [ -0.0001723400000000, -0.0001179300000000, -0.0000247800000000 ] - [ -0.0002407900000000, -0.0001622200000000, 0.0007056700000000 ] - [ 0.0001557700000000, 0.0001992600000000, 0.0002078500000000 ] - [ -0.0004335500000000, 0.0000250700000000, -0.0004900600000000 ] - [ 0.0000009300000000, -0.0002106500000000, -0.0000598600000000 ] - [ -0.0000727800000000, 0.0000744300000000, -0.0001773400000000 ] - [ 0.0002279500000000, 0.0000278000000000, 0.0001698100000000 ] - [ -0.0005998000000000, 0.0002408500000000, 0.0003036200000000 ] - [ -0.0000619700000000, 0.0000536000000000, -0.0004873500000000 ] - [ 0.0000870600000000, -0.0003975800000000, 0.0008394600000000 ] - [ 0.0003233600000000, -0.0006543600000000, 0.0004085100000000 ] - [ 0.0003219500000000, 0.0006559800000000, 0.0004037400000000 ] - [ 0.0000260900000000, 0.0000427600000000, -0.0002163500000000 ] - [ -0.0000586000000000, -0.0000553400000000, -0.0004845600000000 ] - [ 0.0001571700000000, -0.0001839100000000, 0.0000207700000000 ] - [ 0.0000566500000000, -0.0002748600000000, 0.0002175800000000 ] - [ 0.0001015900000000, 0.0003735400000000, -0.0001121200000000 ] - [ 0.0000831600000000, -0.0000227400000000, -0.0000657800000000 ] - [ -0.0005323700000000, -0.0001320400000000, -0.0003473100000000 ] - [ 0.0001218800000000, 0.0001426600000000, -0.0003582100000000 ] - [ -0.0003526100000000, -0.0000088000000000, -0.0002724000000000 ] - [ 0.0001542000000000, 0.0003308000000000, -0.0003026600000000 ] - [ 0.0001553300000000, 0.0001857300000000, -0.0000073300000000 ] - [ 0.0000250500000000, -0.0000441100000000, -0.0002103700000000 ] - [ 0.0002299200000000, -0.0000273700000000, 0.0001696800000000 ] - [ 0.0000194700000000, -0.0005477300000000, 0.0003404900000000 ] - [ 0.0003026500000000, -0.0000858000000000, -0.0002106700000000 ] - [ 0.0001228500000000, -0.0001408400000000, -0.0003609000000000 ] - [ -0.0000671300000000, 0.0002102500000000, -0.0000692100000000 ] - [ -0.0002981000000000, 0.0004760100000000, -0.0001571700000000 ] - [ 0.0002934200000000, 0.0000836100000000, -0.0002175300000000 ] - [ -0.0003471800000000, 0.0002206600000000, 0.0005865800000000 ] - [ -0.0002055500000000, -0.0004649100000000, 0.0001408700000000 ] - [ -0.0004326400000000, -0.0000249900000000, -0.0004907100000000 ] - [ 0.0001811100000000, -0.0000489000000000, -0.0002593500000000 ] - [ -0.0000311300000000, -0.0001936400000000, 0.0000521100000000 ] - [ 0.0001754600000000, -0.0006949300000000, 0.0007080100000000 ] - [ -0.0002124000000000, 0.0004601600000000, 0.0001371000000000 ] - [ 0.0000819100000000, 0.0000229600000000, -0.0000675000000000 ] - [ 0.0001816500000000, 0.0000486700000000, -0.0002593500000000 ] - [ 0.0001352600000000, -0.0003269800000000, -0.0003014200000000 ] - [ -0.0001254300000000, 0.0004556600000000, 0.0003597500000000 ] - [ -0.0001731400000000, 0.0001164400000000, -0.0000214300000000 ] - [ -0.0000786400000000, -0.0000553100000000, -0.0001322800000000 ] - [ -0.0003511200000000, 0.0000093600000000, -0.0002723200000000 ] - [ -0.0002404900000000, 0.0001224500000000, 0.0005209000000000 ]- atom: 68 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0028878800000000, 0.0004025400000000, 0.0001499000000000 ] - [ 0.0011674500000000, 0.0005030600000000, 0.0031320300000000 ] - [ 0.0000281500000000, -0.0001318500000000, -0.0015742300000000 ] - [ 0.0001346000000000, 0.0001667000000000, -0.0015363500000000 ] - [ -0.0002690500000000, 0.0001213900000000, -0.0003008500000000 ] - [ -0.0005396400000000, -0.0002733200000000, 0.0001377600000000 ] - [ -0.0002563600000000, -0.0001228800000000, -0.0003062000000000 ] - [ -0.0005408700000000, 0.0002738100000000, 0.0001286000000000 ] - [ 0.0023125300000000, 0.0000007200000000, -0.0020098000000000 ] - [ -0.0012869000000000, -0.0008217000000000, 0.0024237000000000 ] - [ -0.0075174300000000, 0.0043610200000000, 0.0121156800000000 ] - [ -0.0002492700000000, 0.0000619100000000, -0.0037206300000000 ] - [ -0.0007034300000000, 0.0000796100000000, -0.0004264000000000 ] - [ -0.0006806600000000, -0.0001059300000000, -0.0003157200000000 ] - [ -0.0009347100000000, 0.0002914000000000, 0.0001359500000000 ] - [ -0.0009219800000000, -0.0003035600000000, 0.0000554700000000 ] - [ 0.0036140300000000, 0.0022446400000000, -0.0028776300000000 ] - [ -0.0013183000000000, -0.0011104100000000, -0.0012575500000000 ] - [ 0.0019822600000000, 0.0008200400000000, -0.0009584600000000 ] - [ -0.0008368600000000, 0.0004677400000000, 0.0007740000000000 ] - [ 0.0950988200000000, 0.0195187800000000, 0.0990723300000000 ] - [ -0.0007136100000000, 0.0000252400000000, 0.0009608100000000 ] - [ 0.0017867300000000, 0.0004142500000000, 0.0010815300000000 ] - [ -0.0011071600000000, -0.0003357500000000, 0.0008512200000000 ] - [ 0.0047570600000000, -0.0006556800000000, -0.0044980500000000 ] - [ -0.0008623900000000, -0.0002671200000000, 0.0002335800000000 ] - [ -0.0005767100000000, 0.0003707800000000, 0.0003091300000000 ] - [ -0.0006991200000000, -0.0003502000000000, -0.0001199900000000 ] - [ -0.0032848100000000, 0.0049988100000000, -0.0045169200000000 ] - [ 0.0001462000000000, 0.0002024500000000, 0.0002621900000000 ] - [ -0.0022734000000000, 0.0015976200000000, -0.0106020300000000 ] - [ 0.0000456400000000, -0.0001036300000000, -0.0015376900000000 ] - [ -0.0006228500000000, -0.0000903400000000, -0.0000909600000000 ] - [ 0.0000677500000000, -0.0007583400000000, 0.0003756900000000 ] - [ 0.0000015300000000, 0.0007577500000000, 0.0003002300000000 ] - [ -0.0014117500000000, -0.0000322600000000, -0.0007747600000000 ] - [ -0.0005871100000000, -0.0001523900000000, -0.0001077400000000 ] - [ -0.0007457000000000, 0.0002318700000000, -0.0000733500000000 ] - [ -0.0004903600000000, -0.0002622300000000, -0.0002437100000000 ] - [ -0.0003980800000000, -0.0008773100000000, 0.0020814200000000 ] - [ -0.0005975500000000, 0.0001576000000000, -0.0001367100000000 ] - [ -0.0001142100000000, -0.0002353500000000, 0.0004097000000000 ] - [ -0.0011308800000000, 0.0006075300000000, 0.0008319400000000 ] - [ -0.0001044000000000, -0.0002874200000000, -0.0004114400000000 ] - [ -0.0003911500000000, 0.0002594400000000, -0.0001847600000000 ] - [ -0.0005922000000000, 0.0002217900000000, 0.0001753400000000 ] - [ -0.0006049400000000, 0.0000890900000000, -0.0000873000000000 ] - [ -0.0004718800000000, -0.0001040400000000, -0.0003913100000000 ] - [ -0.0016183300000000, -0.0009795600000000, 0.0030879600000000 ] - [ -0.0018188700000000, -0.0014322500000000, 0.0012795200000000 ] - [ -0.0000719100000000, -0.0008969500000000, -0.0004417400000000 ] - [ -0.0000908700000000, -0.0001583700000000, 0.0004747100000000 ] - [ 0.0008106700000000, -0.0001411700000000, -0.0000384300000000 ] - [ -0.0030808800000000, 0.0066675400000000, 0.0004488600000000 ] - [ 0.0003396500000000, -0.0004083800000000, -0.0003044700000000 ] - [ 0.0002076200000000, -0.0000718300000000, -0.0000268200000000 ] - [ -0.0030171900000000, 0.0008656200000000, 0.0024467900000000 ] - [ -0.0000469300000000, 0.0000429600000000, 0.0005214700000000 ] - [ -0.0007584000000000, 0.0001676900000000, 0.0010260100000000 ] - [ -0.0001203300000000, -0.0000980100000000, 0.0004195800000000 ] - [ 0.0077095000000000, 0.0017317500000000, 0.0036199700000000 ] - [ -0.0001315300000000, 0.0001193200000000, 0.0016962400000000 ] - [ -0.0004267400000000, 0.0000427600000000, 0.0021308900000000 ] - [ 0.0023252500000000, -0.0016566600000000, -0.0001354300000000 ] - [ 0.0000031100000000, -0.0005493400000000, -0.0007087000000000 ] - [ 0.0003594600000000, -0.0000963500000000, 0.0001960000000000 ] - [ 0.0003404800000000, 0.0003489300000000, -0.0000751800000000 ] - [ -0.0833382400000000, -0.0336912800000000, -0.0971247800000000 ] - [ -0.0021655300000000, 0.0003520100000000, 0.0013383900000000 ] - [ -0.0015274000000000, -0.0000872600000000, -0.0008943500000000 ] - [ -0.0019263300000000, 0.0008877500000000, 0.0013372100000000 ] - [ 0.0013603200000000, 0.0006610200000000, -0.0004223700000000 ] - [ 0.0009657200000000, -0.0009189900000000, 0.0012689000000000 ] - [ 0.0000115500000000, 0.0000596800000000, -0.0018389600000000 ] - [ 0.0004210400000000, 0.0003275000000000, 0.0019034700000000 ] - [ 0.0003398000000000, -0.0003840600000000, 0.0003369900000000 ] - [ 0.0004214500000000, -0.0001116700000000, -0.0007193000000000 ] - [ 0.0101261600000000, 0.0007049300000000, 0.0029028700000000 ] - [ 0.0003152300000000, 0.0004168400000000, -0.0000596100000000 ] - [ -0.0073330600000000, -0.0004957600000000, -0.0102633600000000 ] - [ 0.0002311700000000, 0.0000593000000000, 0.0004612600000000 ] - [ 0.0001630200000000, 0.0004964800000000, 0.0008282000000000 ] - [ 0.0004273500000000, -0.0002507800000000, -0.0005832300000000 ] - [ -0.0007773400000000, -0.0012415500000000, 0.0022428500000000 ] - [ -0.0005184200000000, -0.0022715600000000, 0.0028904600000000 ] - [ 0.0004040900000000, -0.0003311800000000, -0.0001273500000000 ] - [ 0.0002426000000000, -0.0005347800000000, 0.0008185900000000 ] - [ -0.0005936800000000, 0.0008327900000000, 0.0006612100000000 ] - [ -0.0007506200000000, -0.0001756900000000, 0.0012365900000000 ] - [ -0.0010522500000000, 0.0008166900000000, 0.0037353200000000 ] - [ -0.0000047600000000, -0.0004783000000000, -0.0000542000000000 ] - [ 0.0002803700000000, 0.0003922000000000, 0.0003209400000000 ] - [ -0.0009360300000000, 0.0003479400000000, -0.0001147700000000 ] - [ 0.0000270000000000, -0.0000322900000000, -0.0002903300000000 ] - [ -0.0083511300000000, -0.0006462400000000, -0.0120348000000000 ] - [ 0.0000304600000000, 0.0002951300000000, 0.0006648500000000 ] - [ -0.0002732800000000, 0.0001820300000000, -0.0003580300000000 ] - [ 0.0000790100000000, -0.0002702100000000, -0.0002378500000000 ] - [ 0.0000246900000000, -0.0001156300000000, -0.0000243400000000 ] - [ 0.0001948200000000, -0.0002436900000000, 0.0004123200000000 ] - [ 0.0003488000000000, 0.0001682300000000, -0.0000237600000000 ] - [ -0.0001473500000000, 0.0000627500000000, -0.0003935600000000 ] - [ 0.0005280200000000, -0.0006263200000000, -0.0004301100000000 ] - [ 0.0000484000000000, 0.0000414400000000, -0.0002125800000000 ] - [ 0.0004703300000000, -0.0000304700000000, 0.0001298700000000 ] - [ -0.0005170700000000, 0.0002139300000000, 0.0009764900000000 ] - [ 0.0002612700000000, 0.0001577700000000, -0.0004623700000000 ] - [ -0.0002882600000000, 0.0000323600000000, -0.0002703800000000 ] - [ 0.0005569100000000, -0.0005951800000000, 0.0003949300000000 ] - [ 0.0005661000000000, 0.0005812900000000, 0.0004300700000000 ] - [ 0.0002347400000000, 0.0000498600000000, -0.0002409700000000 ] - [ 0.0002416500000000, -0.0001451000000000, -0.0004846800000000 ] - [ 0.0004899000000000, -0.0000472600000000, -0.0000441700000000 ] - [ 0.0007533700000000, 0.0001723700000000, 0.0001975000000000 ] - [ -0.0000195800000000, 0.0007815500000000, 0.0009057000000000 ] - [ 0.0006767600000000, -0.0000191600000000, 0.0000967600000000 ] - [ -0.0002715300000000, -0.0001826300000000, -0.0003576100000000 ] - [ 0.0006281000000000, 0.0001665800000000, -0.0002023000000000 ] - [ 0.0000413700000000, -0.0001722700000000, -0.0003172500000000 ] - [ 0.0004860400000000, 0.0004030300000000, -0.0002469900000000 ] - [ 0.0004029500000000, 0.0000490600000000, 0.0000630900000000 ] - [ 0.0002547800000000, -0.0000460200000000, -0.0002591500000000 ] - [ 0.0004582500000000, 0.0000266100000000, 0.0001264100000000 ] - [ -0.0003735900000000, -0.0010312900000000, -0.0001870000000000 ] - [ 0.0007000800000000, -0.0002273400000000, -0.0002173700000000 ] - [ 0.0005871400000000, -0.0001647600000000, -0.0002223600000000 ] - [ 0.0001583200000000, 0.0002718600000000, 0.0000542600000000 ] - [ 0.0000814200000000, 0.0002696400000000, -0.0002493600000000 ] - [ 0.0006212600000000, 0.0001897000000000, -0.0001632700000000 ] - [ 0.0007842700000000, 0.0008865500000000, 0.0019018400000000 ] - [ 0.0001026400000000, -0.0003615300000000, 0.0000113000000000 ] - [ -0.0001561300000000, -0.0000638500000000, -0.0003867100000000 ] - [ 0.0004798600000000, 0.0000783000000000, -0.0003302700000000 ] - [ 0.0006784700000000, 0.0001617300000000, -0.0011445800000000 ] - [ -0.0007417900000000, -0.0007645200000000, -0.0004994200000000 ] - [ 0.0000360700000000, 0.0004141700000000, 0.0001226500000000 ] - [ 0.0006817900000000, 0.0000179600000000, 0.0001099300000000 ] - [ 0.0004768100000000, -0.0000765500000000, -0.0003287000000000 ] - [ 0.0006934100000000, -0.0005248000000000, -0.0000820200000000 ] - [ 0.0012792400000000, -0.0005694500000000, 0.0013410800000000 ] - [ 0.0000400000000000, 0.0001117400000000, 0.0000071300000000 ] - [ 0.0002187600000000, 0.0000464600000000, -0.0001664500000000 ] - [ 0.0000469400000000, 0.0001753100000000, -0.0003336300000000 ] - [ -0.0002253600000000, 0.0002033600000000, 0.0006203600000000 ]- atom: 68 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0029344300000000, -0.0001673500000000, -0.0007527000000000 ] - [ -0.0018271900000000, -0.0011019100000000, -0.0028414600000000 ] - [ -0.0000575400000000, -0.0001043500000000, 0.0009795500000000 ] - [ -0.0008167900000000, 0.0003500700000000, 0.0018769900000000 ] - [ 0.0002381200000000, 0.0001152500000000, -0.0002965200000000 ] - [ -0.0001466400000000, -0.0002454200000000, 0.0001943800000000 ] - [ 0.0002254000000000, -0.0001146400000000, -0.0002914700000000 ] - [ -0.0001454800000000, 0.0002443400000000, 0.0002035300000000 ] - [ -0.0021041800000000, 0.0003024400000000, 0.0013131900000000 ] - [ 0.0015236700000000, 0.0005096900000000, -0.0031228800000000 ] - [ 0.0073102100000000, -0.0038716500000000, -0.0120596100000000 ] - [ 0.0000865400000000, -0.0005772500000000, 0.0039351900000000 ] - [ 0.0009201900000000, 0.0002240500000000, -0.0002721000000000 ] - [ 0.0008966800000000, -0.0001976300000000, -0.0003828400000000 ] - [ 0.0007454300000000, 0.0002179600000000, 0.0000633100000000 ] - [ 0.0007327400000000, -0.0002062800000000, 0.0001438200000000 ] - [ -0.0036056200000000, -0.0023159400000000, 0.0028263400000000 ] - [ 0.0025650100000000, -0.0005336400000000, 0.0020424400000000 ] - [ -0.0007303300000000, 0.0007968200000000, 0.0018110900000000 ] - [ 0.0002613900000000, 0.0006828800000000, 0.0008904900000000 ] - [ -0.0911910000000000, -0.0188279500000000, -0.0983298500000000 ] - [ 0.0008247400000000, 0.0001447900000000, -0.0014308400000000 ] - [ -0.0013928000000000, -0.0005775600000000, -0.0012922000000000 ] - [ 0.0005319900000000, -0.0008152700000000, 0.0008133900000000 ] - [ -0.0039410400000000, 0.0007103700000000, 0.0042020600000000 ] - [ 0.0015554500000000, -0.0001662400000000, 0.0001472200000000 ] - [ 0.0006427700000000, 0.0003179800000000, -0.0003525700000000 ] - [ 0.0007642500000000, -0.0003386100000000, 0.0000782900000000 ] - [ 0.0036850200000000, -0.0048297300000000, 0.0043218700000000 ] - [ 0.0005430600000000, 0.0002322300000000, 0.0001146900000000 ] - [ 0.0022945500000000, -0.0015115400000000, 0.0105995200000000 ] - [ 0.0000591900000000, -0.0000679400000000, 0.0010749400000000 ] - [ 0.0005963200000000, -0.0000102500000000, -0.0000040300000000 ] - [ 0.0011886600000000, -0.0008584400000000, 0.0004522900000000 ] - [ 0.0012547300000000, 0.0008588700000000, 0.0005278800000000 ] - [ 0.0008485900000000, 0.0011891500000000, 0.0024361000000000 ] - [ 0.0014125000000000, 0.0001012500000000, -0.0002224400000000 ] - [ 0.0008513300000000, -0.0000605700000000, -0.0003937800000000 ] - [ 0.0008879700000000, 0.0001008000000000, 0.0000415200000000 ] - [ -0.0001878200000000, -0.0002700100000000, -0.0004064500000000 ] - [ 0.0014228300000000, -0.0001065800000000, -0.0001934700000000 ] - [ 0.0008033100000000, -0.0001989200000000, -0.0000280500000000 ] - [ 0.0011874700000000, 0.0000735400000000, -0.0008860000000000 ] - [ 0.0001744500000000, -0.0004023100000000, 0.0003756200000000 ] - [ 0.0007890100000000, -0.0000984100000000, -0.0000161600000000 ] - [ 0.0012856000000000, 0.0002137800000000, 0.0001998200000000 ] - [ 0.0005784000000000, 0.0000115300000000, -0.0000077400000000 ] - [ 0.0005801000000000, -0.0000663000000000, -0.0000735600000000 ] - [ 0.0005833600000000, 0.0012819300000000, -0.0038241700000000 ] - [ 0.0012560300000000, 0.0004999400000000, -0.0016094400000000 ] - [ -0.0002637000000000, 0.0006543700000000, 0.0003890200000000 ] - [ -0.0003832900000000, -0.0001130900000000, 0.0006696700000000 ] - [ -0.0005292400000000, 0.0005790500000000, 0.0004494600000000 ] - [ 0.0022102500000000, -0.0065514900000000, -0.0015031100000000 ] - [ -0.0004211600000000, -0.0000341600000000, 0.0001812200000000 ] - [ -0.0003373600000000, 0.0001916700000000, -0.0002866200000000 ] - [ 0.0034742400000000, -0.0008134400000000, -0.0021072500000000 ] - [ -0.0010077900000000, 0.0003295100000000, 0.0001843100000000 ] - [ 0.0006613600000000, -0.0000553000000000, -0.0020121100000000 ] - [ -0.0009350500000000, -0.0002742800000000, 0.0002864600000000 ] - [ -0.0070886700000000, -0.0030099200000000, -0.0027937200000000 ] - [ 0.0007969500000000, 0.0011869900000000, -0.0008950100000000 ] - [ 0.0004914000000000, 0.0000435000000000, -0.0025652100000000 ] - [ -0.0024330300000000, 0.0015422900000000, -0.0008129900000000 ] - [ 0.0003333200000000, 0.0001923800000000, 0.0007211400000000 ] - [ -0.0000769800000000, -0.0003412800000000, 0.0002149700000000 ] - [ -0.0000786100000000, 0.0004528700000000, -0.0000401600000000 ] - [ 0.0805571300000000, 0.0329340700000000, 0.0962579900000000 ] - [ 0.0011227000000000, -0.0006446000000000, -0.0020543500000000 ] - [ 0.0018144400000000, 0.0003740800000000, 0.0001906600000000 ] - [ 0.0012545900000000, -0.0009233600000000, -0.0018982800000000 ] - [ -0.0010319700000000, 0.0000018100000000, -0.0001727700000000 ] - [ -0.0006300000000000, 0.0012797400000000, -0.0012619400000000 ] - [ 0.0000521800000000, -0.0001459200000000, 0.0014153800000000 ] - [ 0.0000463100000000, -0.0003798000000000, -0.0015516000000000 ] - [ -0.0002744500000000, -0.0006302800000000, 0.0003878800000000 ] - [ 0.0001999200000000, -0.0000647600000000, 0.0002895100000000 ] - [ -0.0097853300000000, -0.0009642400000000, -0.0035884300000000 ] - [ -0.0003955800000000, 0.0000261800000000, -0.0000643200000000 ] - [ 0.0066857700000000, 0.0013479900000000, 0.0098619900000000 ] - [ 0.0003946600000000, 0.0001192100000000, -0.0008953300000000 ] - [ -0.0005278200000000, 0.0002027000000000, 0.0006999800000000 ] - [ -0.0008278900000000, -0.0006707400000000, 0.0008633800000000 ] - [ -0.0000655300000000, 0.0012020400000000, -0.0032513000000000 ] - [ 0.0009111700000000, 0.0021491600000000, -0.0033685300000000 ] - [ -0.0001421900000000, -0.0004704500000000, 0.0000119300000000 ] - [ -0.0006073800000000, -0.0001647500000000, 0.0007091700000000 ] - [ 0.0001992500000000, 0.0000846800000000, -0.0003831100000000 ] - [ 0.0009539600000000, 0.0002254200000000, -0.0013717900000000 ] - [ 0.0014452100000000, -0.0007433000000000, -0.0043066700000000 ] - [ 0.0003386200000000, -0.0001851700000000, -0.0005376300000000 ] - [ -0.0002149800000000, 0.0006224100000000, 0.0004037800000000 ] - [ 0.0006080700000000, -0.0001131800000000, 0.0000755800000000 ] - [ -0.0001568100000000, -0.0000872900000000, -0.0000202200000000 ] - [ 0.0076289800000000, 0.0007651700000000, 0.0113842900000000 ] - [ -0.0005047600000000, -0.0000242800000000, 0.0004784500000000 ] - [ -0.0007692400000000, 0.0000893100000000, -0.0003348400000000 ] - [ -0.0006470100000000, -0.0006659100000000, -0.0000844200000000 ] - [ -0.0003547200000000, -0.0001200400000000, -0.0000161400000000 ] - [ -0.0006692100000000, -0.0000283700000000, 0.0007399300000000 ] - [ -0.0000646300000000, 0.0002680700000000, 0.0004336400000000 ] - [ -0.0006933900000000, -0.0000076200000000, -0.0005815900000000 ] - [ -0.0006058500000000, 0.0001832100000000, 0.0003063600000000 ] - [ -0.0001781900000000, 0.0000791900000000, -0.0001011300000000 ] - [ 0.0000105400000000, 0.0000770800000000, 0.0002094100000000 ] - [ -0.0005447400000000, 0.0001600700000000, -0.0002750000000000 ] - [ -0.0003532200000000, -0.0000409000000000, -0.0005119200000000 ] - [ -0.0007376000000000, -0.0004059400000000, 0.0009946700000000 ] - [ 0.0001102300000000, -0.0007075700000000, 0.0004162500000000 ] - [ 0.0001011900000000, 0.0007216500000000, 0.0003805800000000 ] - [ -0.0001707300000000, 0.0000363300000000, -0.0001918000000000 ] - [ -0.0003333900000000, 0.0000280500000000, -0.0004892900000000 ] - [ -0.0001540900000000, -0.0003119100000000, 0.0000543600000000 ] - [ -0.0004753300000000, -0.0006130200000000, 0.0002146800000000 ] - [ 0.0002777500000000, 0.0000208100000000, -0.0010226200000000 ] - [ -0.0004608700000000, -0.0000290800000000, -0.0002199300000000 ] - [ -0.0007710500000000, -0.0000887600000000, -0.0003358000000000 ] - [ -0.0003464700000000, 0.0001187600000000, -0.0005038900000000 ] - [ -0.0007177100000000, 0.0001409800000000, -0.0002334500000000 ] - [ -0.0001536900000000, 0.0002600900000000, -0.0003458500000000 ] - [ -0.0000675500000000, 0.0003106400000000, -0.0000546000000000 ] - [ -0.0001910400000000, -0.0000399700000000, -0.0001726700000000 ] - [ 0.0000227900000000, -0.0000730000000000, 0.0002130900000000 ] - [ 0.0004373900000000, 0.0000127400000000, 0.0009053400000000 ] - [ -0.0000754300000000, 0.0000494900000000, -0.0002153800000000 ] - [ -0.0003057800000000, -0.0001204400000000, -0.0004839800000000 ] - [ -0.0002400400000000, 0.0001709800000000, -0.0001792700000000 ] - [ -0.0006493000000000, 0.0006663800000000, -0.0000728600000000 ] - [ 0.0000028700000000, -0.0000119000000000, -0.0002700500000000 ] - [ -0.0011622500000000, -0.0001899400000000, -0.0003748900000000 ] - [ -0.0004982600000000, -0.0005568700000000, 0.0002678700000000 ] - [ -0.0006847200000000, 0.0000089200000000, -0.0005883900000000 ] - [ -0.0000922900000000, -0.0001648600000000, -0.0001938100000000 ] - [ -0.0004061600000000, -0.0009528100000000, 0.0010269900000000 ] - [ 0.0003831800000000, 0.0000599300000000, 0.0020164300000000 ] - [ -0.0004323100000000, 0.0005038800000000, 0.0001561900000000 ] - [ -0.0004651700000000, 0.0000308600000000, -0.0002337400000000 ] - [ -0.0000894100000000, 0.0001630900000000, -0.0001957500000000 ] - [ -0.0003622800000000, -0.0001382200000000, -0.0005102000000000 ] - [ -0.0012187500000000, 0.0015857900000000, -0.0006117900000000 ] - [ -0.0003708000000000, 0.0001244100000000, -0.0000475900000000 ] - [ -0.0003486100000000, -0.0001654900000000, -0.0001435900000000 ] - [ -0.0007231200000000, -0.0001440900000000, -0.0002171600000000 ] - [ -0.0002486500000000, 0.0000668300000000, 0.0005186300000000 ]- atom: 70 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0039767600000000, -0.0020780100000000, 0.0020043500000000 ] - [ 0.0006920000000000, 0.0000030000000000, 0.0015541700000000 ] - [ 0.0024274200000000, 0.0000703000000000, -0.0020605200000000 ] - [ -0.0003507300000000, 0.0005952100000000, -0.0015474100000000 ] - [ -0.0007566500000000, 0.0001297200000000, -0.0003163500000000 ] - [ -0.0009409100000000, -0.0003038800000000, 0.0000518300000000 ] - [ -0.0007456600000000, -0.0001290900000000, -0.0003104800000000 ] - [ -0.0009184500000000, 0.0002995700000000, 0.0000840200000000 ] - [ 0.0187328500000000, -0.0062174300000000, 0.0001208900000000 ] - [ 0.0064682000000000, 0.0001096900000000, -0.0044202700000000 ] - [ 0.0003927700000000, 0.0001843900000000, 0.0006607200000000 ] - [ -0.0066029700000000, -0.0012935000000000, -0.0000027600000000 ] - [ -0.0022913700000000, -0.0000272400000000, -0.0004165300000000 ] - [ -0.0022538300000000, 0.0000189800000000, -0.0004133900000000 ] - [ -0.0025883000000000, 0.0004313600000000, -0.0001565300000000 ] - [ -0.0025505100000000, -0.0003260500000000, 0.0003550600000000 ] - [ 0.0008742700000000, 0.0000712400000000, -0.0029214400000000 ] - [ -0.0011843100000000, -0.0005761300000000, 0.0016769200000000 ] - [ -0.0006981800000000, 0.0011878200000000, -0.0013811700000000 ] - [ -0.0030620500000000, -0.0003262200000000, 0.0012236400000000 ] - [ 0.0072262900000000, 0.0004153100000000, -0.0010789900000000 ] - [ 0.0038033200000000, -0.0012343700000000, -0.0088723900000000 ] - [ 0.1136851500000000, 0.0670014600000000, 0.0592066500000000 ] - [ -0.0017116700000000, -0.0003492700000000, 0.0003268500000000 ] - [ 0.0031741400000000, 0.0063975800000000, -0.0093267200000000 ] - [ 0.0001562600000000, -0.0003565500000000, -0.0011539100000000 ] - [ -0.0026604900000000, 0.0004518900000000, -0.0007756100000000 ] - [ -0.0011797200000000, -0.0003004800000000, 0.0009788800000000 ] - [ 0.0048622300000000, -0.0013525300000000, -0.0017727100000000 ] - [ -0.0033284100000000, -0.0000658600000000, 0.0015624300000000 ] - [ -0.0027812000000000, -0.0005404900000000, 0.0022665500000000 ] - [ 0.0010067200000000, 0.0012364100000000, 0.0042350000000000 ] - [ -0.0017338800000000, -0.0001627500000000, -0.0001794100000000 ] - [ -0.0013609200000000, -0.0006660900000000, 0.0000225000000000 ] - [ -0.0009185900000000, 0.0006426400000000, 0.0003352900000000 ] - [ -0.0028410600000000, -0.0001510200000000, 0.0009535800000000 ] - [ -0.0025597200000000, -0.0004113800000000, -0.0000669100000000 ] - [ -0.0018951700000000, 0.0003430900000000, -0.0001895500000000 ] - [ -0.0017122100000000, -0.0006156700000000, -0.0004276500000000 ] - [ -0.0017234100000000, -0.0003663100000000, 0.0005845400000000 ] - [ -0.0025968200000000, 0.0004084400000000, -0.0000039100000000 ] - [ -0.0016062900000000, -0.0002955100000000, 0.0004152500000000 ] - [ -0.0018295100000000, 0.0004915800000000, 0.0006995900000000 ] - [ -0.0021816800000000, -0.0003118100000000, 0.0000839700000000 ] - [ -0.0016911400000000, 0.0006212400000000, -0.0004497400000000 ] - [ -0.0017759300000000, 0.0002530900000000, 0.0006113700000000 ] - [ -0.0018726200000000, 0.0001720000000000, -0.0001683800000000 ] - [ -0.0019489400000000, -0.0003569900000000, -0.0002919200000000 ] - [ 0.0016101200000000, 0.0006804900000000, -0.0029016600000000 ] - [ -0.0061110100000000, -0.0056004300000000, 0.0015377600000000 ] - [ -0.0015580500000000, 0.0004367500000000, 0.0010756300000000 ] - [ 0.0008192000000000, -0.0007999400000000, 0.0009957400000000 ] - [ 0.0005489100000000, 0.0001407500000000, 0.0007336700000000 ] - [ -0.0011788800000000, 0.0003477000000000, 0.0000336800000000 ] - [ 0.0011268100000000, -0.0008311200000000, 0.0002723800000000 ] - [ -0.0002210800000000, -0.0001167000000000, 0.0001796800000000 ] - [ -0.0000567300000000, 0.0000452400000000, 0.0011862100000000 ] - [ 0.0003739300000000, 0.0000364000000000, 0.0003980600000000 ] - [ 0.0006385600000000, 0.0004130900000000, 0.0006107500000000 ] - [ 0.0010996200000000, 0.0003363500000000, 0.0010091900000000 ] - [ 0.0006141700000000, -0.0010274900000000, -0.0006595800000000 ] - [ 0.0018911400000000, -0.0006432900000000, 0.0020191200000000 ] - [ -0.0025139600000000, -0.0000138700000000, 0.0016333100000000 ] - [ 0.0007074500000000, -0.0001378000000000, -0.0014635300000000 ] - [ 0.0051421500000000, 0.0111865000000000, 0.0121465200000000 ] - [ 0.0028443800000000, 0.0013566700000000, -0.0010378400000000 ] - [ 0.0010292500000000, 0.0001432600000000, -0.0003776300000000 ] - [ -0.0027626900000000, -0.0000988900000000, -0.0017713500000000 ] - [ -0.0009379700000000, -0.0001100200000000, 0.0013411100000000 ] - [ -0.1300230000000000, -0.0673148500000000, -0.0643258200000000 ] - [ 0.0014679400000000, 0.0038012200000000, 0.0099259000000000 ] - [ -0.0006262700000000, 0.0011902800000000, 0.0014178800000000 ] - [ -0.0011370700000000, 0.0011142200000000, -0.0014014800000000 ] - [ -0.0122138200000000, -0.0043944700000000, -0.0013141100000000 ] - [ 0.0016285300000000, 0.0002542100000000, -0.0010893000000000 ] - [ 0.0006698600000000, -0.0001759300000000, 0.0003975500000000 ] - [ -0.0021455200000000, 0.0007842900000000, 0.0015735100000000 ] - [ -0.0028169700000000, -0.0003317000000000, -0.0004226900000000 ] - [ 0.0003666000000000, 0.0001935900000000, -0.0008647000000000 ] - [ -0.0036080700000000, 0.0025980700000000, 0.0010181000000000 ] - [ -0.0026843300000000, -0.0011584600000000, -0.0011341400000000 ] - [ 0.0011832100000000, 0.0009504500000000, 0.0008727100000000 ] - [ -0.0026251800000000, -0.0023345700000000, 0.0027195900000000 ] - [ 0.0014767100000000, 0.0010592200000000, -0.0009932500000000 ] - [ -0.0011617800000000, -0.0009024500000000, 0.0011911800000000 ] - [ 0.0006889400000000, -0.0003014100000000, -0.0000043500000000 ] - [ 0.0007769300000000, -0.0007471100000000, 0.0010106500000000 ] - [ -0.0003613000000000, 0.0015667200000000, -0.0035908400000000 ] - [ 0.0082179900000000, -0.0016442400000000, 0.0099209100000000 ] - [ 0.0006672900000000, -0.0023626600000000, -0.0037515600000000 ] - [ 0.0088694100000000, -0.0040114500000000, -0.0022995300000000 ] - [ 0.0010411300000000, 0.0001347000000000, 0.0002014500000000 ] - [ -0.0123233900000000, 0.0036182900000000, -0.0063825800000000 ] - [ 0.0011422400000000, 0.0005104600000000, -0.0002678200000000 ] - [ -0.0034893900000000, -0.0013351500000000, -0.0002287000000000 ] - [ 0.0000317500000000, 0.0001529400000000, 0.0003426700000000 ] - [ 0.0002384500000000, 0.0002778400000000, -0.0003834000000000 ] - [ 0.0008042500000000, 0.0001249600000000, -0.0004144400000000 ] - [ 0.0004180000000000, -0.0001052700000000, 0.0000170200000000 ] - [ 0.0003899700000000, -0.0003493100000000, 0.0003278000000000 ] - [ 0.0012303400000000, -0.0003581500000000, -0.0001424600000000 ] - [ 0.0003550000000000, 0.0001392700000000, -0.0001769700000000 ] - [ 0.0011086000000000, -0.0008889600000000, -0.0004876600000000 ] - [ 0.0005067000000000, -0.0001441100000000, -0.0001968500000000 ] - [ 0.0008592700000000, -0.0001249600000000, 0.0000677100000000 ] - [ 0.0012026500000000, -0.0001411800000000, 0.0009560800000000 ] - [ 0.0007621100000000, 0.0003086900000000, -0.0004902900000000 ] - [ 0.0004353000000000, 0.0001791900000000, 0.0004476900000000 ] - [ 0.0010426100000000, -0.0004291800000000, 0.0005142100000000 ] - [ 0.0009818400000000, 0.0004925200000000, 0.0003394300000000 ] - [ 0.0006609000000000, 0.0000585000000000, -0.0003126100000000 ] - [ 0.0009107900000000, -0.0003687500000000, -0.0003983800000000 ] - [ 0.0009997200000000, 0.0002096900000000, -0.0000129400000000 ] - [ 0.0014823200000000, 0.0005460300000000, -0.0002127000000000 ] - [ 0.0011027200000000, 0.0000498400000000, -0.0001478800000000 ] - [ 0.0018136700000000, -0.0000066500000000, 0.0004492700000000 ] - [ 0.0002032800000000, -0.0002744800000000, -0.0003750300000000 ] - [ 0.0015348900000000, 0.0002092900000000, 0.0000626100000000 ] - [ 0.0008058000000000, -0.0004900200000000, -0.0004356500000000 ] - [ 0.0013878900000000, 0.0007159200000000, 0.0000894600000000 ] - [ 0.0009955700000000, -0.0002123800000000, 0.0000541500000000 ] - [ 0.0006670700000000, -0.0000559300000000, -0.0003188100000000 ] - [ 0.0009545600000000, 0.0001402700000000, 0.0000250100000000 ] - [ 0.0008632000000000, 0.0000139500000000, 0.0006247800000000 ] - [ 0.0013411200000000, -0.0004445800000000, -0.0001454500000000 ] - [ 0.0015219100000000, -0.0002117100000000, 0.0000678600000000 ] - [ 0.0012023100000000, 0.0008811800000000, -0.0004199300000000 ] - [ 0.0007971400000000, -0.0001200000000000, -0.0004010200000000 ] - [ 0.0013557100000000, 0.0004459300000000, -0.0001304000000000 ] - [ 0.0015278600000000, 0.0010490300000000, 0.0006983000000000 ] - [ 0.0005960500000000, -0.0002452900000000, -0.0000841600000000 ] - [ 0.0004044000000000, -0.0001285600000000, -0.0002205700000000 ] - [ 0.0010204700000000, 0.0003090500000000, -0.0004538700000000 ] - [ 0.0005898600000000, -0.0003677400000000, -0.0002378700000000 ] - [ 0.0002937500000000, -0.0006771300000000, 0.0011628700000000 ] - [ 0.0006061500000000, 0.0002562000000000, -0.0000708700000000 ] - [ 0.0017962300000000, 0.0000082100000000, 0.0004078100000000 ] - [ 0.0010626700000000, -0.0003246100000000, -0.0004709200000000 ] - [ 0.0014562900000000, -0.0007330500000000, 0.0000988200000000 ] - [ 0.0008784600000000, 0.0003013200000000, -0.0000816200000000 ] - [ 0.0004257200000000, 0.0001073900000000, 0.0000107900000000 ] - [ 0.0005195900000000, 0.0001004800000000, -0.0003061100000000 ] - [ 0.0007944500000000, 0.0004841300000000, -0.0004155100000000 ] - [ 0.0003495800000000, 0.0004138400000000, 0.0007308400000000 ]- atom: 70 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0040505200000000, 0.0022977300000000, -0.0025772500000000 ] - [ -0.0013843900000000, -0.0005225700000000, -0.0012274700000000 ] - [ -0.0024707800000000, -0.0003074300000000, 0.0014572200000000 ] - [ -0.0003479500000000, -0.0000836900000000, 0.0018838700000000 ] - [ 0.0007296200000000, 0.0001067900000000, -0.0002811600000000 ] - [ 0.0002576000000000, -0.0002146500000000, 0.0002806900000000 ] - [ 0.0007189100000000, -0.0001083200000000, -0.0002872700000000 ] - [ 0.0002351800000000, 0.0002183500000000, 0.0002485500000000 ] - [ -0.0186573000000000, 0.0064528800000000, -0.0009391800000000 ] - [ -0.0062661900000000, -0.0004210700000000, 0.0037406600000000 ] - [ -0.0005871500000000, 0.0003251400000000, -0.0004630300000000 ] - [ 0.0064610900000000, 0.0007971800000000, 0.0001956400000000 ] - [ 0.0025196500000000, 0.0003315400000000, -0.0002821800000000 ] - [ 0.0024818200000000, -0.0003237600000000, -0.0002851800000000 ] - [ 0.0024120900000000, 0.0000772800000000, 0.0003549300000000 ] - [ 0.0023749300000000, -0.0001825900000000, -0.0001546500000000 ] - [ -0.0009159000000000, -0.0001672900000000, 0.0028489100000000 ] - [ 0.0024469100000000, -0.0010406000000000, -0.0008578300000000 ] - [ 0.0019567900000000, 0.0004272900000000, 0.0022183100000000 ] - [ 0.0024932600000000, 0.0014771000000000, 0.0004429200000000 ] - [ -0.0064392900000000, -0.0004669300000000, 0.0007583300000000 ] - [ -0.0036437400000000, 0.0014160500000000, 0.0084321300000000 ] - [ -0.1110180300000000, -0.0639284600000000, -0.0567038700000000 ] - [ 0.0011483500000000, -0.0008048700000000, 0.0013356300000000 ] - [ -0.0027589200000000, -0.0062602700000000, 0.0090227400000000 ] - [ 0.0005465500000000, -0.0000778500000000, 0.0015211800000000 ] - [ 0.0027343200000000, 0.0002376100000000, 0.0007275500000000 ] - [ 0.0012599400000000, -0.0003865300000000, -0.0010235100000000 ] - [ -0.0044537800000000, 0.0015176200000000, 0.0015396400000000 ] - [ 0.0040517000000000, 0.0004762600000000, -0.0011986400000000 ] - [ 0.0027449400000000, 0.0006404200000000, -0.0023736400000000 ] - [ -0.0008454200000000, -0.0013974300000000, -0.0047147600000000 ] - [ 0.0017173100000000, 0.0000624800000000, 0.0000849800000000 ] - [ 0.0026254600000000, -0.0009514100000000, 0.0008060100000000 ] - [ 0.0021848700000000, 0.0009745000000000, 0.0004942000000000 ] - [ 0.0022790000000000, 0.0013053300000000, 0.0007092100000000 ] - [ 0.0034008600000000, 0.0003621800000000, -0.0002641500000000 ] - [ 0.0020121400000000, -0.0001738600000000, -0.0002769400000000 ] - [ 0.0021192300000000, 0.0004571600000000, 0.0002275000000000 ] - [ 0.0011549200000000, -0.0007857000000000, 0.0010820800000000 ] - [ 0.0034375000000000, -0.0003596600000000, -0.0003267800000000 ] - [ 0.0023071800000000, -0.0001381300000000, -0.0000378300000000 ] - [ 0.0019043700000000, 0.0001961100000000, -0.0007462300000000 ] - [ 0.0022594100000000, -0.0003771500000000, -0.0001268500000000 ] - [ 0.0020985200000000, -0.0004631000000000, 0.0002502400000000 ] - [ 0.0024774200000000, 0.0001810500000000, -0.0002353700000000 ] - [ 0.0018552700000000, -0.0000718200000000, 0.0000738800000000 ] - [ 0.0020666700000000, 0.0001878600000000, -0.0001740000000000 ] - [ -0.0026764400000000, -0.0004079400000000, 0.0022341900000000 ] - [ 0.0056471100000000, 0.0047016800000000, -0.0018681800000000 ] - [ 0.0012291100000000, -0.0006689800000000, -0.0011093300000000 ] - [ -0.0012946300000000, 0.0005282600000000, 0.0001499400000000 ] - [ -0.0002747500000000, 0.0003021700000000, -0.0003177700000000 ] - [ 0.0003444600000000, -0.0002945100000000, -0.0010111700000000 ] - [ -0.0012134600000000, 0.0003918000000000, -0.0003903700000000 ] - [ 0.0000850400000000, 0.0002368100000000, -0.0004852000000000 ] - [ 0.0005405200000000, 0.0000009000000000, -0.0008542400000000 ] - [ -0.0014383200000000, 0.0003386400000000, 0.0003044700000000 ] - [ -0.0007320500000000, -0.0002984700000000, -0.0015904700000000 ] - [ -0.0021605200000000, -0.0007098200000000, -0.0003039800000000 ] - [ 0.0000524300000000, -0.0002733000000000, 0.0014757500000000 ] - [ -0.0012336500000000, 0.0019556300000000, -0.0012189900000000 ] - [ 0.0025708000000000, 0.0001027600000000, -0.0020158400000000 ] - [ -0.0008013600000000, 0.0000203500000000, 0.0004940200000000 ] - [ -0.0047404300000000, -0.0114827000000000, -0.0120958200000000 ] - [ -0.0025566800000000, -0.0017899400000000, 0.0014476700000000 ] - [ -0.0007702300000000, 0.0006590800000000, 0.0002616300000000 ] - [ 0.0029940700000000, 0.0000500900000000, 0.0016550400000000 ] - [ -0.0000944800000000, -0.0001653500000000, -0.0020386500000000 ] - [ 0.1287875000000000, 0.0643368500000000, 0.0613404500000000 ] - [ -0.0021528900000000, -0.0038864100000000, -0.0106174400000000 ] - [ 0.0009514500000000, -0.0005262300000000, -0.0020084400000000 ] - [ 0.0014657000000000, -0.0007589800000000, 0.0014212700000000 ] - [ 0.0121204900000000, 0.0042235500000000, 0.0008988100000000 ] - [ -0.0011544800000000, -0.0003020200000000, 0.0014376800000000 ] - [ -0.0006096500000000, -0.0008403700000000, 0.0003286800000000 ] - [ 0.0027430800000000, -0.0009531300000000, -0.0020253900000000 ] - [ 0.0031080200000000, 0.0000448900000000, -0.0002759700000000 ] - [ -0.0004596100000000, 0.0002411000000000, 0.0007434200000000 ] - [ 0.0030589200000000, -0.0016733000000000, -0.0013503500000000 ] - [ 0.0032760000000000, 0.0013286900000000, 0.0007241300000000 ] - [ -0.0015529100000000, -0.0002531400000000, 0.0006541400000000 ] - [ 0.0022172800000000, 0.0014094800000000, -0.0024394500000000 ] - [ -0.0023252600000000, -0.0011281700000000, 0.0000212300000000 ] - [ 0.0015605800000000, 0.0008216100000000, -0.0017225800000000 ] - [ -0.0004314100000000, -0.0005015500000000, -0.0001099000000000 ] - [ -0.0011483500000000, 0.0000503300000000, 0.0005163900000000 ] - [ -0.0000601200000000, -0.0006349400000000, 0.0038739200000000 ] - [ -0.0081531400000000, 0.0017288600000000, -0.0102323400000000 ] - [ -0.0002634900000000, 0.0024594500000000, 0.0032580500000000 ] - [ -0.0083655400000000, 0.0032664500000000, 0.0016618100000000 ] - [ -0.0009796000000000, 0.0008815800000000, 0.0005236100000000 ] - [ 0.0118299200000000, -0.0032890300000000, 0.0061998300000000 ] - [ -0.0012817600000000, -0.0006200300000000, -0.0000477600000000 ] - [ 0.0028285400000000, 0.0013728300000000, -0.0003255900000000 ] - [ -0.0005103900000000, 0.0001162400000000, 0.0008014300000000 ] - [ -0.0012847700000000, -0.0000070000000000, -0.0003093400000000 ] - [ -0.0013785200000000, -0.0010646400000000, 0.0000932800000000 ] - [ -0.0007511600000000, -0.0001299500000000, -0.0000576600000000 ] - [ -0.0008676400000000, 0.0000794400000000, 0.0008170500000000 ] - [ -0.0009542800000000, 0.0007989400000000, 0.0005548400000000 ] - [ -0.0012001800000000, -0.0000846200000000, -0.0007994800000000 ] - [ -0.0011958900000000, 0.0004495800000000, 0.0003662700000000 ] - [ -0.0006398000000000, 0.0002650500000000, -0.0001151300000000 ] - [ -0.0003826100000000, 0.0001725800000000, 0.0002724300000000 ] - [ -0.0022681000000000, 0.0005154200000000, -0.0002539000000000 ] - [ -0.0008593800000000, -0.0001937200000000, -0.0004846000000000 ] - [ -0.0014948500000000, -0.0005532000000000, 0.0002574400000000 ] - [ -0.0003793100000000, -0.0008751000000000, 0.0002967600000000 ] - [ -0.0003186600000000, 0.0008121500000000, 0.0004703900000000 ] - [ -0.0006001300000000, 0.0000276600000000, -0.0001204200000000 ] - [ -0.0010072000000000, 0.0002533700000000, -0.0005759200000000 ] - [ -0.0006686500000000, -0.0005709200000000, 0.0000221800000000 ] - [ -0.0012074400000000, -0.0009876700000000, 0.0006259100000000 ] - [ -0.0008466300000000, 0.0007542800000000, 0.0000332900000000 ] - [ -0.0016068900000000, -0.0000418000000000, -0.0005753000000000 ] - [ -0.0012497600000000, 0.0000036300000000, -0.0003181400000000 ] - [ -0.0012607300000000, 0.0000759700000000, -0.0007710100000000 ] - [ -0.0014882300000000, 0.0004614800000000, -0.0001143700000000 ] - [ -0.0010630200000000, -0.0000551800000000, -0.0006845200000000 ] - [ -0.0006647600000000, 0.0005740100000000, -0.0000451600000000 ] - [ -0.0006064900000000, -0.0000300000000000, -0.0001134800000000 ] - [ -0.0004772900000000, -0.0001876300000000, 0.0003150000000000 ] - [ -0.0008029500000000, -0.0010318300000000, 0.0000977200000000 ] - [ -0.0007223500000000, 0.0002686300000000, -0.0002880700000000 ] - [ -0.0012481000000000, -0.0000735200000000, -0.0007762500000000 ] - [ -0.0012899500000000, -0.0004419700000000, 0.0002977900000000 ] - [ -0.0013713600000000, 0.0010596000000000, 0.0000800000000000 ] - [ -0.0007370100000000, -0.0002699400000000, -0.0003033900000000 ] - [ -0.0019012500000000, -0.0003540300000000, 0.0008316800000000 ] - [ -0.0009964900000000, -0.0006741000000000, 0.0003641000000000 ] - [ -0.0012495200000000, 0.0000742000000000, -0.0007561200000000 ] - [ -0.0006373400000000, -0.0003974900000000, -0.0000692200000000 ] - [ -0.0003300200000000, -0.0004336900000000, 0.0001227600000000 ] - [ -0.0006607600000000, -0.0000203900000000, 0.0003616500000000 ] - [ -0.0010068900000000, 0.0006630600000000, 0.0003505900000000 ] - [ -0.0015887600000000, 0.0000408300000000, -0.0005346100000000 ] - [ -0.0006795200000000, 0.0004129200000000, -0.0000526900000000 ] - [ -0.0011315200000000, 0.0000722500000000, -0.0006933800000000 ] - [ -0.0008173800000000, 0.0007136400000000, 0.0008092200000000 ] - [ -0.0007596000000000, 0.0001283300000000, -0.0000516800000000 ] - [ -0.0006526000000000, -0.0002210200000000, -0.0000049300000000 ] - [ -0.0014768400000000, -0.0004556800000000, -0.0001344300000000 ] - [ -0.0008272500000000, -0.0001444800000000, 0.0004112900000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002072300000000, -0.0027822700000000, 0.0024052400000000 ] - [ 0.0000755000000000, -0.0001215600000000, 0.0003606000000000 ] - [ -0.0000501400000000, 0.0001300700000000, -0.0008369800000000 ] - [ -0.0006763500000000, -0.0002130800000000, -0.0000357300000000 ] - [ -0.0000507400000000, 0.0001188900000000, -0.0002979400000000 ] - [ -0.0003747200000000, -0.0002609900000000, 0.0001632600000000 ] - [ -0.0000501500000000, -0.0001191400000000, -0.0003009800000000 ] - [ -0.0003686300000000, 0.0002611600000000, 0.0001594700000000 ] - [ -0.0015530200000000, 0.0009109100000000, 0.0047973500000000 ] - [ 0.0006982000000000, 0.0016031200000000, -0.0051681100000000 ] - [ 0.0000999100000000, 0.0002004200000000, 0.0002697400000000 ] - [ -0.0000837400000000, -0.0000665500000000, -0.0002063200000000 ] - [ -0.0000040200000000, 0.0001423800000000, -0.0003565800000000 ] - [ -0.0000070100000000, -0.0001436600000000, -0.0003503800000000 ] - [ -0.0003041400000000, 0.0002850400000000, 0.0000737500000000 ] - [ -0.0001337800000000, -0.0002477000000000, 0.0001055400000000 ] - [ -0.0001249600000000, 0.0002216200000000, -0.0002853700000000 ] - [ 0.0003873900000000, -0.0007313400000000, 0.0005279300000000 ] - [ 0.0005623200000000, 0.0006714000000000, 0.0003384100000000 ] - [ -0.0001070600000000, 0.0008083500000000, 0.0011613500000000 ] - [ 0.0011913000000000, -0.0005075700000000, -0.0008320100000000 ] - [ 0.0002652200000000, -0.0018709100000000, -0.0037030500000000 ] - [ 0.0682931800000000, 0.0880935900000000, 0.0592048200000000 ] - [ -0.0005171700000000, -0.0005232000000000, 0.0005791400000000 ] - [ -0.0091854500000000, 0.0111336000000000, -0.0012345200000000 ] - [ -0.0000922200000000, -0.0003375900000000, -0.0010508700000000 ] - [ -0.0008379100000000, 0.0005781900000000, 0.0004430600000000 ] - [ 0.0002707800000000, -0.0003409600000000, -0.0004101800000000 ] - [ 0.0017794100000000, 0.0000394900000000, -0.0037939500000000 ] - [ 0.0014462200000000, -0.0011286000000000, 0.0045144900000000 ] - [ -0.0009394000000000, -0.0008820600000000, -0.0004075500000000 ] - [ 0.0016408800000000, 0.0024162600000000, -0.0000687300000000 ] - [ -0.0001022300000000, -0.0000575900000000, -0.0000739600000000 ] - [ 0.0005184500000000, -0.0008246500000000, 0.0004923900000000 ] - [ 0.0005584300000000, 0.0007910700000000, 0.0003224800000000 ] - [ -0.0004529800000000, 0.0005020100000000, 0.0007892000000000 ] - [ 0.0002593500000000, -0.0000450200000000, -0.0001631500000000 ] - [ -0.0000457000000000, 0.0000985900000000, -0.0002233600000000 ] - [ 0.0001069100000000, -0.0001042000000000, -0.0001156700000000 ] - [ -0.0003220600000000, -0.0005831100000000, 0.0008715200000000 ] - [ 0.0002757500000000, 0.0000436300000000, -0.0001546900000000 ] - [ 0.0002648000000000, -0.0002248400000000, 0.0002022100000000 ] - [ -0.0000672400000000, 0.0003633200000000, 0.0000431400000000 ] - [ -0.0000502200000000, -0.0003448100000000, -0.0000456400000000 ] - [ 0.0001099800000000, 0.0001078200000000, -0.0001193200000000 ] - [ 0.0002340700000000, 0.0002208400000000, 0.0002093000000000 ] - [ -0.0000935900000000, 0.0000546300000000, -0.0000332600000000 ] - [ -0.0000371500000000, -0.0000937600000000, -0.0002447700000000 ] - [ 0.0016172000000000, 0.0001766100000000, -0.0006858200000000 ] - [ -0.0017838000000000, 0.0013483200000000, -0.0019100300000000 ] - [ -0.0002028800000000, 0.0009599200000000, 0.0015289400000000 ] - [ -0.0001141200000000, 0.0000454200000000, 0.0001349400000000 ] - [ 0.0003129500000000, 0.0002413400000000, 0.0004477800000000 ] - [ -0.0005232300000000, 0.0000969300000000, -0.0003097100000000 ] - [ 0.0006530800000000, -0.0006258200000000, -0.0000576200000000 ] - [ -0.0002071900000000, -0.0000860700000000, 0.0004634300000000 ] - [ 0.0002252000000000, 0.0000284100000000, 0.0002023400000000 ] - [ -0.0005620000000000, 0.0001995400000000, 0.0003823100000000 ] - [ 0.0000452300000000, 0.0001024900000000, -0.0003649800000000 ] - [ -0.0002729400000000, -0.0001279500000000, 0.0003663000000000 ] - [ 0.0003678100000000, -0.0006947500000000, 0.0002282800000000 ] - [ 0.0001903900000000, 0.0007579000000000, 0.0003503200000000 ] - [ -0.0006785700000000, 0.0004258400000000, 0.0059621800000000 ] - [ 0.0001436800000000, -0.0001037300000000, -0.0006675300000000 ] - [ 0.0035334700000000, 0.0050704200000000, 0.0047296400000000 ] - [ -0.0008170000000000, -0.0003584600000000, 0.0000215900000000 ] - [ 0.0001016400000000, 0.0003361500000000, -0.0000864300000000 ] - [ -0.0004863200000000, 0.0000184400000000, -0.0003016400000000 ] - [ -0.0002437800000000, -0.0001935800000000, 0.0001776300000000 ] - [ -0.0673285700000000, -0.1303378600000000, -0.0803585800000000 ] - [ 0.0075588200000000, -0.0023842900000000, 0.0064135800000000 ] - [ 0.0004729300000000, 0.0007062900000000, 0.0006806800000000 ] - [ -0.0000651500000000, -0.0002135500000000, 0.0003667800000000 ] - [ 0.0004755000000000, -0.0004393000000000, 0.0087753700000000 ] - [ 0.0004100600000000, 0.0000559100000000, 0.0001462300000000 ] - [ 0.0000680800000000, -0.0004775800000000, 0.0005105200000000 ] - [ -0.0004202400000000, 0.0000248300000000, -0.0005243800000000 ] - [ 0.0003260200000000, -0.0010748000000000, 0.0010229400000000 ] - [ -0.0003123600000000, 0.0000114700000000, -0.0000278500000000 ] - [ -0.0013555100000000, 0.0014530800000000, 0.0007272900000000 ] - [ -0.0017202000000000, -0.0015260000000000, 0.0009120400000000 ] - [ -0.0002023900000000, 0.0003431900000000, 0.0007081100000000 ] - [ -0.0002078800000000, -0.0005069300000000, 0.0014071700000000 ] - [ -0.0003163700000000, -0.0003148200000000, -0.0002752500000000 ] - [ 0.0000783600000000, -0.0002383300000000, 0.0000019600000000 ] - [ 0.0001860100000000, -0.0004144800000000, -0.0000222300000000 ] - [ -0.0000870500000000, -0.0003888100000000, 0.0008159800000000 ] - [ 0.0000059100000000, 0.0017882000000000, -0.0019451200000000 ] - [ 0.0002762700000000, -0.0000586500000000, -0.0008709200000000 ] - [ 0.0003207400000000, 0.0005207600000000, -0.0004748800000000 ] - [ -0.0067153700000000, 0.0013421800000000, -0.0015238200000000 ] - [ 0.0000774500000000, 0.0004882800000000, 0.0001310900000000 ] - [ 0.0048203200000000, 0.0273294600000000, -0.0026994700000000 ] - [ 0.0007133500000000, -0.0004255200000000, -0.0016729200000000 ] - [ -0.0008578200000000, -0.0004037400000000, -0.0001866800000000 ] - [ -0.0002414500000000, 0.0002323000000000, 0.0007784100000000 ] - [ -0.0004862400000000, 0.0001389000000000, -0.0003526500000000 ] - [ -0.0002342200000000, -0.0004409700000000, -0.0001717900000000 ] - [ -0.0001359800000000, -0.0001165000000000, -0.0000201800000000 ] - [ -0.0001999300000000, -0.0001472500000000, 0.0005524300000000 ] - [ 0.0001813400000000, 0.0002005900000000, 0.0001867900000000 ] - [ -0.0003754000000000, 0.0000363900000000, -0.0004628100000000 ] - [ 0.0000222600000000, -0.0002615400000000, -0.0000936800000000 ] - [ -0.0000408400000000, 0.0000529600000000, -0.0001599500000000 ] - [ 0.0002645000000000, 0.0000110300000000, 0.0001972700000000 ] - [ -0.0004640100000000, 0.0001711500000000, 0.0004002500000000 ] - [ -0.0000149700000000, 0.0000808900000000, -0.0004632600000000 ] - [ -0.0004841700000000, -0.0001662700000000, 0.0003288800000000 ] - [ 0.0003694500000000, -0.0006527200000000, 0.0003887700000000 ] - [ 0.0003604200000000, 0.0006344400000000, 0.0004296700000000 ] - [ 0.0000632000000000, 0.0000446100000000, -0.0002169100000000 ] - [ 0.0000132300000000, -0.0000605200000000, -0.0005063300000000 ] - [ 0.0002094600000000, -0.0001604100000000, 0.0000007300000000 ] - [ 0.0002165600000000, -0.0001722700000000, 0.0001905000000000 ] - [ 0.0001652200000000, 0.0004087200000000, -0.0000147700000000 ] - [ 0.0002019800000000, -0.0000229800000000, -0.0000356600000000 ] - [ -0.0004849000000000, -0.0001434200000000, -0.0003454400000000 ] - [ 0.0002073600000000, 0.0001454200000000, -0.0003345800000000 ] - [ -0.0002841300000000, -0.0000371600000000, -0.0002806100000000 ] - [ 0.0002203200000000, 0.0003491000000000, -0.0002809300000000 ] - [ 0.0002060500000000, 0.0001596900000000, 0.0000114700000000 ] - [ 0.0000651400000000, -0.0000437200000000, -0.0002218100000000 ] - [ 0.0002784300000000, -0.0000258100000000, 0.0001224300000000 ] - [ 0.0000413200000000, -0.0005010700000000, 0.0003482400000000 ] - [ 0.0003633200000000, -0.0001068600000000, -0.0002123600000000 ] - [ 0.0002095100000000, -0.0001456700000000, -0.0003323000000000 ] - [ 0.0000121600000000, 0.0002480000000000, -0.0000695500000000 ] - [ -0.0002280300000000, 0.0004377600000000, -0.0001733100000000 ] - [ 0.0003602500000000, 0.0001053000000000, -0.0002081400000000 ] - [ -0.0000309100000000, 0.0003785900000000, 0.0008089600000000 ] - [ -0.0001586200000000, -0.0004471200000000, 0.0001238000000000 ] - [ -0.0003928800000000, -0.0000272200000000, -0.0004820300000000 ] - [ 0.0002347200000000, -0.0000247800000000, -0.0002694100000000 ] - [ 0.0001586300000000, -0.0003919700000000, -0.0000982600000000 ] - [ -0.0001949200000000, -0.0003385600000000, 0.0007570900000000 ] - [ -0.0001619900000000, 0.0004508900000000, 0.0001298100000000 ] - [ 0.0001768000000000, 0.0000215400000000, -0.0000379900000000 ] - [ 0.0002336400000000, 0.0000274800000000, -0.0002739000000000 ] - [ 0.0002324900000000, -0.0003549500000000, -0.0002737000000000 ] - [ 0.0000995500000000, 0.0004795000000000, 0.0003487300000000 ] - [ -0.0001365100000000, 0.0001175300000000, -0.0000207800000000 ] - [ -0.0000334000000000, -0.0000524900000000, -0.0001665800000000 ] - [ -0.0002790000000000, 0.0000400400000000, -0.0002829500000000 ] - [ -0.0002180600000000, 0.0001518100000000, 0.0005875000000000 ]- atom: 70 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002351000000000, 0.0030037700000000, -0.0030144200000000 ] - [ -0.0007610600000000, -0.0003968400000000, -0.0000262500000000 ] - [ 0.0000241700000000, -0.0003667500000000, 0.0002413800000000 ] - [ -0.0000006400000000, 0.0007338300000000, 0.0003682900000000 ] - [ 0.0000211400000000, 0.0001177700000000, -0.0002993600000000 ] - [ -0.0003105600000000, -0.0002576400000000, 0.0001692200000000 ] - [ 0.0000207900000000, -0.0001184500000000, -0.0002966600000000 ] - [ -0.0003167700000000, 0.0002569100000000, 0.0001728800000000 ] - [ 0.0019111300000000, -0.0010773900000000, -0.0058987700000000 ] - [ -0.0004878400000000, -0.0019118100000000, 0.0044931300000000 ] - [ -0.0002819800000000, 0.0003092800000000, -0.0000693200000000 ] - [ -0.0001126700000000, -0.0004471300000000, 0.0004090900000000 ] - [ 0.0002235100000000, 0.0001612300000000, -0.0003427600000000 ] - [ 0.0002262200000000, -0.0001605000000000, -0.0003489100000000 ] - [ 0.0001190800000000, 0.0002236100000000, 0.0001270600000000 ] - [ -0.0000529000000000, -0.0002620100000000, 0.0000937200000000 ] - [ 0.0001094700000000, -0.0003242100000000, 0.0001847200000000 ] - [ 0.0008731400000000, -0.0008853200000000, 0.0003025100000000 ] - [ 0.0006989100000000, 0.0009472300000000, 0.0004866000000000 ] - [ -0.0004637100000000, 0.0003411700000000, 0.0005000600000000 ] - [ -0.0003523400000000, 0.0004605800000000, 0.0005071300000000 ] - [ -0.0001855000000000, 0.0020618700000000, 0.0032854700000000 ] - [ -0.0648950500000000, -0.0860834800000000, -0.0568351400000000 ] - [ -0.0000535600000000, -0.0006270700000000, 0.0010895300000000 ] - [ 0.0099366300000000, -0.0111011600000000, 0.0007770000000000 ] - [ 0.0007867400000000, -0.0000970200000000, 0.0014460000000000 ] - [ 0.0009137800000000, 0.0001113000000000, -0.0004864100000000 ] - [ -0.0002072800000000, -0.0003508300000000, 0.0003690800000000 ] - [ -0.0014077100000000, 0.0001165800000000, 0.0036393200000000 ] - [ -0.0007631900000000, 0.0015785300000000, -0.0041661300000000 ] - [ 0.0009260100000000, 0.0009856100000000, 0.0003117000000000 ] - [ -0.0015411800000000, -0.0025884500000000, -0.0004055400000000 ] - [ 0.0000789700000000, -0.0000431700000000, -0.0000222800000000 ] - [ 0.0007422000000000, -0.0007915400000000, 0.0003353000000000 ] - [ 0.0007004300000000, 0.0008252100000000, 0.0005057000000000 ] - [ -0.0001181300000000, 0.0006482700000000, 0.0008769800000000 ] - [ 0.0005690300000000, -0.0000054000000000, -0.0001676300000000 ] - [ 0.0001545200000000, 0.0000702900000000, -0.0002432600000000 ] - [ 0.0002925100000000, -0.0000563800000000, -0.0000859600000000 ] - [ -0.0002477800000000, -0.0005676900000000, 0.0007933400000000 ] - [ 0.0005521800000000, 0.0000064600000000, -0.0001761500000000 ] - [ 0.0004302100000000, -0.0002123100000000, 0.0001757600000000 ] - [ 0.0001365900000000, 0.0003277100000000, -0.0000867300000000 ] - [ 0.0001187200000000, -0.0003460600000000, 0.0000017600000000 ] - [ 0.0002897200000000, 0.0000524700000000, -0.0000819700000000 ] - [ 0.0004605500000000, 0.0002164400000000, 0.0001690100000000 ] - [ 0.0000704100000000, 0.0000458700000000, -0.0000636300000000 ] - [ 0.0001459800000000, -0.0000752700000000, -0.0002220500000000 ] - [ -0.0026679600000000, 0.0001002200000000, -0.0000036100000000 ] - [ 0.0011505700000000, -0.0023091100000000, 0.0015714100000000 ] - [ -0.0001246100000000, -0.0012080900000000, -0.0015891400000000 ] - [ -0.0003624800000000, -0.0003170700000000, 0.0010120800000000 ] - [ -0.0000335100000000, 0.0001961400000000, -0.0000395700000000 ] - [ -0.0003223100000000, -0.0000435200000000, -0.0006664500000000 ] - [ -0.0007371700000000, 0.0001846100000000, -0.0000682500000000 ] - [ 0.0000799200000000, 0.0002083200000000, -0.0007856300000000 ] - [ 0.0002509500000000, 0.0000208000000000, 0.0001384800000000 ] - [ -0.0004922300000000, 0.0001749600000000, 0.0003231100000000 ] - [ -0.0001415800000000, 0.0000137100000000, -0.0006065700000000 ] - [ -0.0007861400000000, -0.0002477900000000, 0.0003376300000000 ] - [ 0.0002964100000000, -0.0006105800000000, 0.0005820600000000 ] - [ 0.0004785000000000, 0.0005425800000000, 0.0004656500000000 ] - [ 0.0007508200000000, -0.0003488100000000, -0.0064982400000000 ] - [ -0.0002399900000000, -0.0000117900000000, -0.0003060800000000 ] - [ -0.0031905400000000, -0.0054886800000000, -0.0047922600000000 ] - [ 0.0011024100000000, -0.0000826800000000, 0.0003962300000000 ] - [ 0.0001601600000000, 0.0004667700000000, -0.0000257000000000 ] - [ 0.0006955600000000, -0.0000656400000000, 0.0001768400000000 ] - [ -0.0008051700000000, -0.0000751000000000, -0.0008729700000000 ] - [ 0.0643564000000000, 0.1286906600000000, 0.0775087300000000 ] - [ -0.0082845200000000, 0.0024304500000000, -0.0070052900000000 ] - [ -0.0001398500000000, -0.0000486000000000, -0.0012858500000000 ] - [ 0.0004067600000000, 0.0005749100000000, -0.0003640900000000 ] - [ -0.0004089600000000, 0.0002996100000000, -0.0091276100000000 ] - [ 0.0000686700000000, -0.0001042800000000, 0.0001902400000000 ] - [ -0.0000026900000000, -0.0005378700000000, 0.0002117500000000 ] - [ 0.0010578200000000, -0.0002081400000000, 0.0001023900000000 ] - [ -0.0000510500000000, 0.0007987400000000, -0.0017460000000000 ] - [ 0.0002372700000000, 0.0004352500000000, -0.0000968900000000 ] - [ 0.0007864200000000, -0.0005163800000000, -0.0010515100000000 ] - [ 0.0023581000000000, 0.0017308600000000, -0.0013408100000000 ] - [ -0.0001639700000000, 0.0003552600000000, 0.0008174600000000 ] - [ -0.0001815000000000, -0.0004075700000000, -0.0011408400000000 ] - [ -0.0005273400000000, 0.0002672700000000, -0.0007009100000000 ] - [ 0.0003039300000000, 0.0001503200000000, -0.0005254100000000 ] - [ 0.0000759400000000, -0.0003873500000000, -0.0000913600000000 ] - [ -0.0002792900000000, -0.0003100700000000, 0.0007079400000000 ] - [ -0.0003743900000000, -0.0009031800000000, 0.0022422700000000 ] - [ -0.0000461700000000, 0.0001019400000000, 0.0007938500000000 ] - [ 0.0000633500000000, -0.0004501700000000, -0.0000609400000000 ] - [ 0.0070686500000000, -0.0019780200000000, 0.0009316400000000 ] - [ -0.0000131000000000, 0.0005274600000000, 0.0005945700000000 ] - [ -0.0049259900000000, -0.0267899500000000, 0.0028038100000000 ] - [ -0.0008469100000000, 0.0003036600000000, 0.0013693300000000 ] - [ 0.0001800100000000, 0.0004361300000000, -0.0003647500000000 ] - [ -0.0002318400000000, 0.0000395500000000, 0.0003658700000000 ] - [ -0.0005575400000000, 0.0001308400000000, -0.0003409800000000 ] - [ -0.0003349400000000, -0.0004963000000000, -0.0001494800000000 ] - [ -0.0001936800000000, -0.0001180500000000, -0.0000220700000000 ] - [ -0.0002745000000000, -0.0001249200000000, 0.0005933800000000 ] - [ 0.0000972100000000, 0.0002394600000000, 0.0002267500000000 ] - [ -0.0004673700000000, 0.0000173600000000, -0.0005117000000000 ] - [ -0.0001032100000000, -0.0001817300000000, -0.0000310400000000 ] - [ -0.0000894500000000, 0.0000684400000000, -0.0001544000000000 ] - [ 0.0002138200000000, 0.0000377600000000, 0.0001408500000000 ] - [ -0.0005923500000000, 0.0002042100000000, 0.0003046000000000 ] - [ -0.0000796500000000, 0.0000353800000000, -0.0005097400000000 ] - [ -0.0005731300000000, -0.0002085800000000, 0.0003757400000000 ] - [ 0.0002954600000000, -0.0006517900000000, 0.0004229700000000 ] - [ 0.0003048800000000, 0.0006701200000000, 0.0003818000000000 ] - [ 0.0000027400000000, 0.0000422800000000, -0.0002149800000000 ] - [ -0.0001082300000000, -0.0000558700000000, -0.0004663800000000 ] - [ 0.0001252700000000, -0.0001988300000000, 0.0000090300000000 ] - [ 0.0000623000000000, -0.0002675800000000, 0.0002230900000000 ] - [ 0.0000969600000000, 0.0003930800000000, -0.0000981900000000 ] - [ 0.0000112200000000, -0.0000237400000000, -0.0000863300000000 ] - [ -0.0005588300000000, -0.0001261800000000, -0.0003488700000000 ] - [ 0.0000742500000000, 0.0001400800000000, -0.0003722200000000 ] - [ -0.0003918300000000, 0.0000067900000000, -0.0002687000000000 ] - [ 0.0001103000000000, 0.0003151200000000, -0.0003119700000000 ] - [ 0.0001285200000000, 0.0001998600000000, -0.0000014600000000 ] - [ 0.0000006100000000, -0.0000429200000000, -0.0002095700000000 ] - [ 0.0001996500000000, -0.0000227400000000, 0.0002165800000000 ] - [ 0.0000237900000000, -0.0005141300000000, 0.0003765900000000 ] - [ 0.0002600700000000, -0.0000707700000000, -0.0002179200000000 ] - [ 0.0000716200000000, -0.0001398800000000, -0.0003744800000000 ] - [ -0.0000924500000000, 0.0001952300000000, -0.0000557700000000 ] - [ -0.0003412100000000, 0.0004994200000000, -0.0001479400000000 ] - [ 0.0002633100000000, 0.0000723600000000, -0.0002222800000000 ] - [ -0.0003352000000000, 0.0003203100000000, 0.0007152200000000 ] - [ -0.0002387100000000, -0.0004710100000000, 0.0001530500000000 ] - [ -0.0004500000000000, -0.0000263900000000, -0.0004921600000000 ] - [ 0.0001515700000000, -0.0000625900000000, -0.0002544700000000 ] - [ 0.0001024800000000, -0.0004107500000000, -0.0000142200000000 ] - [ -0.0001726200000000, -0.0003599800000000, 0.0007680000000000 ] - [ -0.0002355200000000, 0.0004671300000000, 0.0001469300000000 ] - [ 0.0000373800000000, 0.0000257100000000, -0.0000844300000000 ] - [ 0.0001524200000000, 0.0000597900000000, -0.0002502900000000 ] - [ 0.0000983800000000, -0.0003094300000000, -0.0003187600000000 ] - [ -0.0000348400000000, 0.0005364400000000, 0.0003743800000000 ] - [ -0.0001938400000000, 0.0001174400000000, -0.0000217600000000 ] - [ -0.0000969000000000, -0.0000689200000000, -0.0001476700000000 ] - [ -0.0003970800000000, -0.0000097400000000, -0.0002664300000000 ] - [ -0.0002562500000000, 0.0001203500000000, 0.0005586700000000 ]- atom: 70 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0032566000000000, 0.0008327000000000, -0.0006951400000000 ] - [ 0.0008259900000000, -0.0001592300000000, 0.0004175300000000 ] - [ 0.0004739700000000, 0.0001095200000000, -0.0023440700000000 ] - [ -0.0012955800000000, 0.0002232100000000, -0.0009212500000000 ] - [ -0.0002279000000000, 0.0001215400000000, -0.0003022200000000 ] - [ -0.0005209400000000, -0.0002722000000000, 0.0001343400000000 ] - [ -0.0002251800000000, -0.0001216100000000, -0.0003042400000000 ] - [ -0.0005028300000000, 0.0002703600000000, 0.0001411900000000 ] - [ 0.0025702900000000, 0.0015559300000000, 0.0124395300000000 ] - [ 0.0020226700000000, 0.0022407900000000, -0.0101320700000000 ] - [ 0.0007060500000000, 0.0001286500000000, -0.0000211400000000 ] - [ -0.0030959700000000, -0.0008226200000000, 0.0004660800000000 ] - [ -0.0005778600000000, 0.0001005200000000, -0.0003662400000000 ] - [ -0.0005712700000000, -0.0001026700000000, -0.0003719100000000 ] - [ -0.0009548200000000, 0.0003480100000000, -0.0000352000000000 ] - [ -0.0006611400000000, -0.0002394900000000, 0.0002239600000000 ] - [ 0.0000034800000000, 0.0002521300000000, -0.0020363100000000 ] - [ 0.0004364300000000, -0.0007770400000000, 0.0010670000000000 ] - [ 0.0000424100000000, 0.0009311300000000, -0.0005044200000000 ] - [ -0.0007828000000000, 0.0005199200000000, 0.0014504700000000 ] - [ 0.0040318100000000, -0.0003142800000000, -0.0028070800000000 ] - [ -0.0024376300000000, -0.0001852300000000, -0.0048568500000000 ] - [ 0.0504461300000000, 0.0474434000000000, 0.0674043800000000 ] - [ -0.0009014000000000, -0.0004699200000000, 0.0002290000000000 ] - [ -0.0109212300000000, 0.0058299300000000, 0.0044865200000000 ] - [ -0.0005684200000000, -0.0004065200000000, -0.0025665100000000 ] - [ -0.0018401900000000, 0.0007055900000000, 0.0006623700000000 ] - [ 0.0004002700000000, -0.0001354300000000, -0.0005477100000000 ] - [ 0.0018859400000000, -0.0003225300000000, -0.0061560300000000 ] - [ -0.0000814700000000, -0.0004620700000000, 0.0052313700000000 ] - [ -0.0002881300000000, 0.0004471100000000, 0.0022214000000000 ] - [ 0.0055516000000000, 0.0021692300000000, -0.0014824600000000 ] - [ -0.0005071700000000, -0.0000845200000000, -0.0001189000000000 ] - [ 0.0000053400000000, -0.0008013000000000, 0.0004228600000000 ] - [ 0.0002288500000000, 0.0007347100000000, 0.0002733100000000 ] - [ -0.0010806500000000, 0.0003547000000000, 0.0010359300000000 ] - [ -0.0004553500000000, -0.0001383800000000, -0.0001479900000000 ] - [ -0.0004873000000000, 0.0001497300000000, -0.0002220700000000 ] - [ -0.0003440800000000, -0.0002325300000000, -0.0001849400000000 ] - [ -0.0006226800000000, -0.0005280700000000, 0.0006043300000000 ] - [ -0.0004399500000000, 0.0001333700000000, -0.0001064900000000 ] - [ -0.0002133200000000, -0.0002486400000000, 0.0002178900000000 ] - [ -0.0004162500000000, 0.0004002700000000, 0.0002084200000000 ] - [ -0.0006964800000000, -0.0003150800000000, -0.0000225700000000 ] - [ -0.0003470200000000, 0.0002378700000000, -0.0002106800000000 ] - [ -0.0002604100000000, 0.0002268300000000, 0.0003447700000000 ] - [ -0.0005475800000000, 0.0000834300000000, -0.0000494000000000 ] - [ -0.0005412000000000, -0.0001704400000000, -0.0002511000000000 ] - [ -0.0029036300000000, -0.0006083200000000, -0.0022602500000000 ] - [ 0.0019406000000000, -0.0026797300000000, -0.0001230300000000 ] - [ -0.0002739000000000, 0.0013668000000000, 0.0025917000000000 ] - [ 0.0001526600000000, -0.0000147300000000, 0.0000103900000000 ] - [ 0.0004359200000000, 0.0002347800000000, 0.0007746900000000 ] - [ -0.0009002000000000, 0.0003582600000000, 0.0002961200000000 ] - [ 0.0015174300000000, -0.0012505300000000, -0.0000893200000000 ] - [ -0.0004426300000000, -0.0002884300000000, 0.0013626300000000 ] - [ 0.0000588800000000, 0.0000043600000000, 0.0008008900000000 ] - [ -0.0005612800000000, 0.0002021800000000, 0.0003527700000000 ] - [ 0.0003510400000000, 0.0002259900000000, 0.0000161900000000 ] - [ 0.0002724700000000, 0.0000403300000000, 0.0005490600000000 ] - [ 0.0002191700000000, -0.0008745400000000, 0.0000233500000000 ] - [ 0.0010103900000000, 0.0001075400000000, 0.0011170500000000 ] - [ -0.0016181300000000, 0.0002886900000000, 0.0058972000000000 ] - [ -0.0001314400000000, 0.0000114800000000, -0.0008029000000000 ] - [ 0.0044495700000000, 0.0059133300000000, 0.0051538700000000 ] - [ 0.0001523100000000, 0.0000540400000000, -0.0003678800000000 ] - [ 0.0003371900000000, 0.0002545900000000, -0.0002175600000000 ] - [ -0.0019055000000000, 0.0000441200000000, -0.0006114600000000 ] - [ -0.0002035300000000, -0.0002754600000000, 0.0011993500000000 ] - [ -0.0617492400000000, -0.0785633300000000, -0.0998660400000000 ] - [ 0.0120274500000000, 0.0025565400000000, 0.0100000100000000 ] - [ 0.0010598800000000, 0.0011018700000000, 0.0018133100000000 ] - [ -0.0004107700000000, -0.0003709000000000, 0.0010565900000000 ] - [ 0.0090852200000000, 0.0090405100000000, 0.0156916300000000 ] - [ 0.0005895900000000, -0.0001090700000000, -0.0005644300000000 ] - [ 0.0001903900000000, -0.0003951900000000, 0.0006580600000000 ] - [ 0.0023993000000000, -0.0008101400000000, 0.0020808900000000 ] - [ 0.0001075100000000, -0.0015242700000000, 0.0018673600000000 ] - [ -0.0008749200000000, -0.0004143700000000, -0.0000198200000000 ] - [ -0.0029272400000000, 0.0023009500000000, 0.0019830900000000 ] - [ -0.0041818500000000, -0.0010846100000000, 0.0027901200000000 ] - [ 0.0001348000000000, 0.0004971700000000, 0.0006985000000000 ] - [ -0.0002271100000000, -0.0010819400000000, 0.0029299600000000 ] - [ 0.0006181600000000, 0.0008781400000000, -0.0019560200000000 ] - [ -0.0004569900000000, -0.0007139100000000, 0.0010088900000000 ] - [ 0.0003143700000000, -0.0004187500000000, 0.0000381000000000 ] - [ 0.0001521400000000, -0.0004826700000000, 0.0009162500000000 ] - [ -0.0037124200000000, 0.0002272200000000, -0.0019872700000000 ] - [ 0.0049791100000000, -0.0003592700000000, 0.0031230100000000 ] - [ 0.0005094700000000, -0.0016695700000000, -0.0027278200000000 ] - [ -0.0040519600000000, 0.0007580100000000, -0.0041731600000000 ] - [ 0.0003498400000000, 0.0004080900000000, -0.0000280900000000 ] - [ -0.0048633200000000, 0.0088006900000000, -0.0118426400000000 ] - [ 0.0010652000000000, -0.0004119800000000, -0.0021388400000000 ] - [ -0.0023207800000000, -0.0011149000000000, 0.0010498100000000 ] - [ -0.0002201200000000, 0.0002980000000000, 0.0009484400000000 ] - [ -0.0003023700000000, 0.0001719100000000, -0.0003641300000000 ] - [ 0.0000248300000000, -0.0002996700000000, -0.0002341400000000 ] - [ 0.0000037600000000, -0.0001133200000000, -0.0000079900000000 ] - [ -0.0000681200000000, -0.0001875500000000, 0.0004640800000000 ] - [ 0.0004384000000000, 0.0000628300000000, 0.0001253500000000 ] - [ -0.0001879800000000, 0.0000665300000000, -0.0003799000000000 ] - [ 0.0002606500000000, -0.0003992400000000, -0.0001721100000000 ] - [ 0.0001052700000000, -0.0000070000000000, -0.0001537100000000 ] - [ 0.0004014200000000, -0.0000289100000000, 0.0001985600000000 ] - [ 0.0001272700000000, 0.0000944500000000, 0.0005615700000000 ] - [ 0.0001564100000000, 0.0001455500000000, -0.0004558300000000 ] - [ -0.0003769500000000, -0.0000889700000000, 0.0003602400000000 ] - [ 0.0005458000000000, -0.0006017400000000, 0.0004158300000000 ] - [ 0.0005093000000000, 0.0005930700000000, 0.0004115500000000 ] - [ 0.0002137600000000, 0.0000481900000000, -0.0002387600000000 ] - [ 0.0002610200000000, -0.0001317700000000, -0.0004916600000000 ] - [ 0.0004026700000000, -0.0000683100000000, -0.0000043500000000 ] - [ 0.0005339200000000, 0.0000040400000000, 0.0000701100000000 ] - [ 0.0005015100000000, 0.0002183200000000, -0.0001604700000000 ] - [ 0.0006189400000000, -0.0000195400000000, 0.0000903200000000 ] - [ -0.0003132900000000, -0.0001785700000000, -0.0003489200000000 ] - [ 0.0005374900000000, 0.0001605100000000, -0.0002382900000000 ] - [ -0.0000110200000000, -0.0001507900000000, -0.0003213100000000 ] - [ 0.0005189200000000, 0.0004471400000000, -0.0001787600000000 ] - [ 0.0004096700000000, 0.0000649800000000, 0.0000248400000000 ] - [ 0.0002162800000000, -0.0000468300000000, -0.0002472700000000 ] - [ 0.0004603400000000, 0.0000104000000000, 0.0000634800000000 ] - [ 0.0003284300000000, -0.0002718000000000, 0.0005672600000000 ] - [ 0.0006024300000000, -0.0001893300000000, -0.0001941000000000 ] - [ 0.0005426600000000, -0.0001627900000000, -0.0002290400000000 ] - [ 0.0003520600000000, 0.0004273300000000, -0.0001820300000000 ] - [ 0.0000318700000000, 0.0002959800000000, -0.0002298300000000 ] - [ 0.0006163500000000, 0.0001931000000000, -0.0001891200000000 ] - [ 0.0003579900000000, 0.0005925100000000, 0.0005778300000000 ] - [ 0.0000258500000000, -0.0003980800000000, 0.0000760200000000 ] - [ -0.0001967800000000, -0.0000477800000000, -0.0004281600000000 ] - [ 0.0004300800000000, 0.0000591200000000, -0.0003126300000000 ] - [ 0.0001807300000000, -0.0004559800000000, -0.0000376300000000 ] - [ -0.0001117400000000, -0.0004265100000000, 0.0009983200000000 ] - [ 0.0000359300000000, 0.0004005200000000, 0.0000736800000000 ] - [ 0.0005696900000000, 0.0000170600000000, 0.0000700400000000 ] - [ 0.0004442400000000, -0.0000612500000000, -0.0003264700000000 ] - [ 0.0005338000000000, -0.0004448900000000, -0.0001896200000000 ] - [ 0.0002139000000000, 0.0005378700000000, 0.0001102500000000 ] - [ 0.0000037100000000, 0.0001159400000000, -0.0000166500000000 ] - [ 0.0000970100000000, -0.0000249100000000, -0.0002176100000000 ] - [ -0.0000078400000000, 0.0001523300000000, -0.0003150900000000 ] - [ -0.0000550300000000, 0.0002280100000000, 0.0006658500000000 ]- atom: 70 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0032874800000000, -0.0006125100000000, 0.0001340400000000 ] - [ -0.0015083800000000, -0.0003585000000000, -0.0000809200000000 ] - [ -0.0004936100000000, -0.0003458600000000, 0.0017473700000000 ] - [ 0.0006139400000000, 0.0002937600000000, 0.0012497500000000 ] - [ 0.0001976600000000, 0.0001152000000000, -0.0002953000000000 ] - [ -0.0001653500000000, -0.0002462800000000, 0.0001978000000000 ] - [ 0.0001951700000000, -0.0001159800000000, -0.0002936700000000 ] - [ -0.0001835700000000, 0.0002475800000000, 0.0001907300000000 ] - [ -0.0021930200000000, -0.0017755100000000, -0.0135291200000000 ] - [ -0.0018017100000000, -0.0025262000000000, 0.0094033300000000 ] - [ -0.0008864600000000, 0.0003803100000000, 0.0002231500000000 ] - [ 0.0028948900000000, 0.0003102200000000, -0.0002662800000000 ] - [ 0.0007964700000000, 0.0002028800000000, -0.0003339900000000 ] - [ 0.0007894200000000, -0.0002011500000000, -0.0003281400000000 ] - [ 0.0007661400000000, 0.0001608700000000, 0.0002363700000000 ] - [ 0.0004725100000000, -0.0002702600000000, -0.0000250600000000 ] - [ -0.0000222100000000, -0.0003509400000000, 0.0019328000000000 ] - [ 0.0008201700000000, -0.0008387000000000, -0.0002355000000000 ] - [ 0.0012158900000000, 0.0006874200000000, 0.0013269000000000 ] - [ 0.0002143000000000, 0.0006319100000000, 0.0002140900000000 ] - [ -0.0031840700000000, 0.0002653600000000, 0.0024794700000000 ] - [ 0.0025286300000000, 0.0003736500000000, 0.0044413400000000 ] - [ -0.0481639800000000, -0.0457955200000000, -0.0667736700000000 ] - [ 0.0003265400000000, -0.0006783100000000, 0.0014385100000000 ] - [ 0.0118262300000000, -0.0057552200000000, -0.0048427900000000 ] - [ 0.0012578300000000, -0.0000310600000000, 0.0029535700000000 ] - [ 0.0019088600000000, -0.0000126500000000, -0.0007006000000000 ] - [ -0.0003369500000000, -0.0005569200000000, 0.0005013200000000 ] - [ -0.0014895300000000, 0.0004856000000000, 0.0059711700000000 ] - [ 0.0007965000000000, 0.0008893100000000, -0.0048482000000000 ] - [ 0.0002508700000000, -0.0003454500000000, -0.0023101300000000 ] - [ -0.0054784000000000, -0.0023590400000000, 0.0010028000000000 ] - [ 0.0004811200000000, -0.0000164100000000, 0.0000218400000000 ] - [ 0.0012525800000000, -0.0008148200000000, 0.0004051700000000 ] - [ 0.0010269200000000, 0.0008811600000000, 0.0005530500000000 ] - [ 0.0005068700000000, 0.0007937900000000, 0.0006303800000000 ] - [ 0.0012807400000000, 0.0000879800000000, -0.0001819000000000 ] - [ 0.0005951700000000, 0.0000186800000000, -0.0002450100000000 ] - [ 0.0007438200000000, 0.0000713100000000, -0.0000171500000000 ] - [ 0.0000518000000000, -0.0006219800000000, 0.0010610200000000 ] - [ 0.0012654400000000, -0.0000831100000000, -0.0002235100000000 ] - [ 0.0009080100000000, -0.0001896900000000, 0.0001600800000000 ] - [ 0.0004836700000000, 0.0002920400000000, -0.0002517400000000 ] - [ 0.0007630100000000, -0.0003767900000000, -0.0000222100000000 ] - [ 0.0007469400000000, -0.0000769100000000, 0.0000087300000000 ] - [ 0.0009542600000000, 0.0002115800000000, 0.0000335800000000 ] - [ 0.0005220900000000, 0.0000174400000000, -0.0000477200000000 ] - [ 0.0006490000000000, 0.0000018100000000, -0.0002163800000000 ] - [ 0.0018613600000000, 0.0008764200000000, 0.0015615200000000 ] - [ -0.0025812700000000, 0.0017463000000000, -0.0002006600000000 ] - [ -0.0000569800000000, -0.0016054300000000, -0.0026374600000000 ] - [ -0.0006283500000000, -0.0002562500000000, 0.0011336000000000 ] - [ -0.0001539200000000, 0.0002029800000000, -0.0003650400000000 ] - [ 0.0000531500000000, -0.0003039700000000, -0.0012703200000000 ] - [ -0.0015957500000000, 0.0008051100000000, -0.0000383200000000 ] - [ 0.0003168000000000, 0.0004104300000000, -0.0016817200000000 ] - [ 0.0004172100000000, 0.0000445600000000, -0.0004600700000000 ] - [ -0.0004924400000000, 0.0001721000000000, 0.0003534000000000 ] - [ -0.0004460300000000, -0.0001085300000000, -0.0009858400000000 ] - [ -0.0013292700000000, -0.0004159100000000, 0.0001546300000000 ] - [ 0.0004455400000000, -0.0004307400000000, 0.0007852200000000 ] - [ -0.0003409300000000, 0.0011919300000000, -0.0002998200000000 ] - [ 0.0016771200000000, -0.0002040200000000, -0.0063520900000000 ] - [ 0.0000372700000000, -0.0001281800000000, -0.0001724600000000 ] - [ -0.0040893000000000, -0.0062864300000000, -0.0051825300000000 ] - [ 0.0001182800000000, -0.0004972500000000, 0.0007843000000000 ] - [ -0.0000760900000000, 0.0005474000000000, 0.0001053000000000 ] - [ 0.0021052300000000, -0.0000910800000000, 0.0004826900000000 ] - [ -0.0008415700000000, 0.0000053700000000, -0.0018878900000000 ] - [ 0.0601393500000000, 0.0773409200000000, 0.0986194000000000 ] - [ -0.0129157000000000, -0.0026685300000000, -0.0107478700000000 ] - [ -0.0007251200000000, -0.0004399200000000, -0.0024099400000000 ] - [ 0.0007514700000000, 0.0007330900000000, -0.0010482500000000 ] - [ -0.0088744100000000, -0.0088364600000000, -0.0157227700000000 ] - [ -0.0001081700000000, 0.0000612900000000, 0.0008986500000000 ] - [ -0.0001244500000000, -0.0006200800000000, 0.0000646400000000 ] - [ -0.0017569200000000, 0.0006257300000000, -0.0025102200000000 ] - [ 0.0001655800000000, 0.0012391700000000, -0.0025791100000000 ] - [ 0.0007988400000000, 0.0008616000000000, -0.0001043900000000 ] - [ 0.0023469600000000, -0.0013575900000000, -0.0023004400000000 ] - [ 0.0048476500000000, 0.0012714400000000, -0.0032621400000000 ] - [ -0.0005017900000000, 0.0002012600000000, 0.0008261800000000 ] - [ -0.0001614600000000, 0.0001656100000000, -0.0026517200000000 ] - [ -0.0014564600000000, -0.0009273400000000, 0.0009797500000000 ] - [ 0.0008373800000000, 0.0006235300000000, -0.0015290100000000 ] - [ -0.0000516100000000, -0.0003826300000000, -0.0001519100000000 ] - [ -0.0005171300000000, -0.0002169700000000, 0.0006077200000000 ] - [ 0.0033378200000000, 0.0006944500000000, 0.0022739800000000 ] - [ -0.0047567000000000, 0.0003979900000000, -0.0032190100000000 ] - [ -0.0001201700000000, 0.0017478300000000, 0.0021923600000000 ] - [ 0.0043243700000000, -0.0014029600000000, 0.0036039400000000 ] - [ -0.0002856100000000, 0.0006074700000000, 0.0007508500000000 ] - [ 0.0044313200000000, -0.0085703800000000, 0.0117209000000000 ] - [ -0.0012007000000000, 0.0002920000000000, 0.0018225200000000 ] - [ 0.0016377100000000, 0.0011435300000000, -0.0016011600000000 ] - [ -0.0002529300000000, -0.0000243400000000, 0.0001985500000000 ] - [ -0.0007407800000000, 0.0000977700000000, -0.0003298400000000 ] - [ -0.0005927200000000, -0.0006367800000000, -0.0000876700000000 ] - [ -0.0003333500000000, -0.0001220500000000, -0.0000349100000000 ] - [ -0.0004061800000000, -0.0000853400000000, 0.0006819000000000 ] - [ -0.0001598200000000, 0.0003774100000000, 0.0002882300000000 ] - [ -0.0006543900000000, -0.0000124700000000, -0.0005939600000000 ] - [ -0.0003408800000000, -0.0000448700000000, 0.0000465000000000 ] - [ -0.0002353100000000, 0.0001288100000000, -0.0001615000000000 ] - [ 0.0000776400000000, 0.0000772800000000, 0.0001388600000000 ] - [ -0.0011825200000000, 0.0002809400000000, 0.0001436900000000 ] - [ -0.0002498900000000, -0.0000280400000000, -0.0005165600000000 ] - [ -0.0006799900000000, -0.0002858000000000, 0.0003438800000000 ] - [ 0.0001196300000000, -0.0007019800000000, 0.0003953200000000 ] - [ 0.0001566400000000, 0.0007103800000000, 0.0004004200000000 ] - [ -0.0001479300000000, 0.0000383700000000, -0.0001917500000000 ] - [ -0.0003548700000000, 0.0000144600000000, -0.0004810200000000 ] - [ -0.0000673000000000, -0.0002902100000000, 0.0000141900000000 ] - [ -0.0002546100000000, -0.0004437300000000, 0.0003435200000000 ] - [ -0.0002387400000000, 0.0005830000000000, 0.0000475400000000 ] - [ -0.0004055800000000, -0.0000272100000000, -0.0002124400000000 ] - [ -0.0007297500000000, -0.0000910700000000, -0.0003456100000000 ] - [ -0.0002557500000000, 0.0001244400000000, -0.0004691300000000 ] - [ -0.0006637000000000, 0.0001198500000000, -0.0002283100000000 ] - [ -0.0001881100000000, 0.0002175700000000, -0.0004142400000000 ] - [ -0.0000744800000000, 0.0002938700000000, -0.0000146300000000 ] - [ -0.0001506900000000, -0.0000394500000000, -0.0001827800000000 ] - [ 0.0000184600000000, -0.0000586400000000, 0.0002741000000000 ] - [ -0.0002635700000000, -0.0007433900000000, 0.0001572700000000 ] - [ 0.0000211400000000, 0.0000115700000000, -0.0002364300000000 ] - [ -0.0002613000000000, -0.0001222500000000, -0.0004783000000000 ] - [ -0.0004316800000000, 0.0000166400000000, 0.0000561000000000 ] - [ -0.0005997400000000, 0.0006403400000000, -0.0000920100000000 ] - [ 0.0000073500000000, -0.0000153100000000, -0.0002415600000000 ] - [ -0.0007223000000000, 0.0001071500000000, 0.0009460100000000 ] - [ -0.0004227300000000, -0.0005200600000000, 0.0002003500000000 ] - [ -0.0006459400000000, -0.0000060500000000, -0.0005454900000000 ] - [ -0.0000434100000000, -0.0001465200000000, -0.0002115000000000 ] - [ 0.0000805000000000, -0.0003463300000000, -0.0000754900000000 ] - [ -0.0002560000000000, -0.0002721700000000, 0.0005265000000000 ] - [ -0.0004330400000000, 0.0005175800000000, 0.0002026600000000 ] - [ -0.0003555900000000, 0.0000302600000000, -0.0001925100000000 ] - [ -0.0000578800000000, 0.0001486400000000, -0.0001980100000000 ] - [ -0.0002026700000000, -0.0002200300000000, -0.0004028900000000 ] - [ -0.0001487800000000, 0.0004781000000000, 0.0006119000000000 ] - [ -0.0003340600000000, 0.0001199800000000, -0.0000265400000000 ] - [ -0.0002270000000000, -0.0000969300000000, -0.0000976500000000 ] - [ -0.0006669100000000, -0.0001214200000000, -0.0002346200000000 ] - [ -0.0004193400000000, 0.0000449900000000, 0.0004810600000000 ]- atom: 71 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0027456600000000, 0.0000968100000000, -0.0003728900000000 ] - [ 0.0006373200000000, -0.0001751800000000, 0.0012372500000000 ] - [ 0.0043167000000000, -0.0002963900000000, -0.0008664000000000 ] - [ 0.0063214100000000, 0.0037712300000000, 0.0002824200000000 ] - [ -0.0006214300000000, 0.0001276300000000, -0.0003095500000000 ] - [ -0.0008235900000000, -0.0002943800000000, 0.0000849700000000 ] - [ -0.0006227000000000, -0.0001271300000000, -0.0003118700000000 ] - [ -0.0008302800000000, 0.0002942600000000, 0.0000848700000000 ] - [ 0.0209001900000000, -0.0002276500000000, 0.0022746000000000 ] - [ 0.0040628600000000, -0.0000154500000000, -0.0002830700000000 ] - [ 0.0007546400000000, 0.0002101500000000, 0.0006671700000000 ] - [ -0.0064907100000000, -0.0012500300000000, -0.0004181700000000 ] - [ -0.0018740600000000, 0.0000023500000000, -0.0004115500000000 ] - [ -0.0018368900000000, -0.0000127400000000, -0.0003958700000000 ] - [ -0.0020675400000000, 0.0003396600000000, 0.0001121500000000 ] - [ -0.0022213600000000, -0.0003828300000000, 0.0000540200000000 ] - [ 0.0006680800000000, 0.0011891100000000, -0.0026914200000000 ] - [ -0.0006332600000000, -0.0006518500000000, 0.0017027000000000 ] - [ -0.0007853800000000, 0.0009336300000000, -0.0015893900000000 ] - [ -0.0020696400000000, 0.0001324800000000, 0.0005400400000000 ] - [ 0.0073424000000000, 0.0007181000000000, -0.0003390800000000 ] - [ 0.0005807100000000, -0.0000115400000000, -0.0011554400000000 ] - [ 0.0005916700000000, -0.0020482300000000, -0.0033751300000000 ] - [ -0.0017778300000000, -0.0002205300000000, 0.0010413600000000 ] - [ 0.0609671600000000, -0.0423970100000000, -0.0370834700000000 ] - [ -0.0002638400000000, -0.0001930800000000, 0.0019607200000000 ] - [ -0.0012357500000000, 0.0002494500000000, -0.0001407800000000 ] - [ -0.0020671300000000, -0.0005092600000000, 0.0009324800000000 ] - [ 0.0014280600000000, -0.0014115600000000, 0.0054403700000000 ] - [ -0.0021068200000000, 0.0006776800000000, -0.0010627000000000 ] - [ 0.0005749600000000, 0.0014065100000000, 0.0046055500000000 ] - [ -0.0042176900000000, -0.0031819800000000, 0.0012312800000000 ] - [ -0.0014863800000000, -0.0001448200000000, -0.0001323400000000 ] - [ -0.0008072200000000, -0.0006718600000000, 0.0001662600000000 ] - [ -0.0008543100000000, 0.0007015000000000, 0.0002929800000000 ] - [ -0.0025670600000000, -0.0001714100000000, 0.0010088700000000 ] - [ -0.0020429400000000, -0.0003404900000000, -0.0000533800000000 ] - [ -0.0015435000000000, 0.0002962900000000, -0.0001767600000000 ] - [ -0.0013749100000000, -0.0005208500000000, -0.0003659800000000 ] - [ -0.0013048100000000, -0.0004740600000000, 0.0006022000000000 ] - [ -0.0020652200000000, 0.0003447200000000, -0.0000633900000000 ] - [ -0.0012334300000000, -0.0002897800000000, 0.0003454200000000 ] - [ -0.0014493900000000, 0.0004762100000000, 0.0006678500000000 ] - [ -0.0018332800000000, -0.0002838300000000, -0.0000513300000000 ] - [ -0.0013602700000000, 0.0005270800000000, -0.0003936400000000 ] - [ -0.0014326500000000, 0.0002405600000000, 0.0005741500000000 ] - [ -0.0014889500000000, 0.0001477100000000, -0.0001663600000000 ] - [ -0.0016056500000000, -0.0003112200000000, -0.0003026200000000 ] - [ -0.0028235500000000, -0.0017436300000000, -0.0013187600000000 ] - [ -0.0156731700000000, -0.0049703900000000, 0.0078718400000000 ] - [ -0.0011329400000000, -0.0008170500000000, -0.0016425300000000 ] - [ 0.0002273500000000, -0.0004331200000000, 0.0007961200000000 ] - [ 0.0008770500000000, -0.0002548500000000, -0.0002716900000000 ] - [ -0.0010752000000000, 0.0001442700000000, -0.0000617300000000 ] - [ 0.0004025500000000, -0.0003993800000000, -0.0002310400000000 ] - [ 0.0005803600000000, 0.0001549600000000, -0.0014017500000000 ] - [ -0.0001753700000000, 0.0000622100000000, 0.0012230700000000 ] - [ 0.0007617500000000, -0.0001378000000000, 0.0006446200000000 ] - [ 0.0008288300000000, 0.0004372300000000, 0.0009718600000000 ] - [ 0.0004220900000000, 0.0000750500000000, 0.0006394400000000 ] - [ 0.0005233300000000, -0.0009962000000000, -0.0006056500000000 ] - [ 0.0013295100000000, 0.0000202000000000, 0.0020402600000000 ] - [ 0.0009061400000000, -0.0023223300000000, -0.0054025600000000 ] - [ 0.0003137900000000, -0.0000636200000000, -0.0014098900000000 ] - [ 0.0005090200000000, 0.0005947900000000, 0.0011850500000000 ] - [ 0.0012920000000000, 0.0002967100000000, 0.0000625300000000 ] - [ 0.0007345000000000, 0.0002779600000000, -0.0001222700000000 ] - [ -0.0026816200000000, -0.0001500300000000, -0.0017000900000000 ] - [ -0.0010632900000000, -0.0002186500000000, 0.0040325100000000 ] - [ 0.0019417700000000, 0.0080718100000000, 0.0121973800000000 ] - [ -0.0960219800000000, 0.0551907300000000, 0.0260315900000000 ] - [ -0.0003155100000000, 0.0003651400000000, -0.0006091800000000 ] - [ 0.0003392200000000, 0.0015394400000000, -0.0021968300000000 ] - [ -0.0017002400000000, 0.0004764400000000, 0.0030869800000000 ] - [ 0.0013672800000000, 0.0000438000000000, -0.0012530500000000 ] - [ 0.0007333900000000, -0.0002207400000000, 0.0000810600000000 ] - [ -0.0004270900000000, 0.0001204300000000, 0.0002314500000000 ] - [ -0.0030351500000000, 0.0003801400000000, -0.0023885400000000 ] - [ 0.0016822000000000, 0.0013876200000000, -0.0006181800000000 ] - [ -0.0029295500000000, 0.0019542200000000, 0.0003675600000000 ] - [ 0.0077717100000000, 0.0025601900000000, -0.0025687100000000 ] - [ 0.0007890900000000, 0.0007648500000000, 0.0009549000000000 ] - [ -0.0007257400000000, -0.0008138100000000, 0.0002249800000000 ] - [ 0.0042718300000000, 0.0009953200000000, -0.0067865000000000 ] - [ -0.0015395900000000, -0.0009689900000000, 0.0007804000000000 ] - [ 0.0006959800000000, -0.0002225400000000, -0.0002026300000000 ] - [ 0.0007109100000000, -0.0007417800000000, 0.0008608700000000 ] - [ 0.0024470900000000, -0.0027453300000000, -0.0002966200000000 ] - [ 0.0073293500000000, -0.0087793200000000, -0.0078780300000000 ] - [ 0.0019417100000000, -0.0037208800000000, -0.0031436100000000 ] - [ 0.0027867200000000, -0.0002252500000000, 0.0014187000000000 ] - [ 0.0007012600000000, 0.0002088200000000, 0.0004211200000000 ] - [ -0.0019053900000000, -0.0016012400000000, 0.0030209200000000 ] - [ 0.0002837400000000, 0.0002293900000000, 0.0006941700000000 ] - [ -0.0029881100000000, -0.0009946900000000, -0.0003560500000000 ] - [ 0.0002524800000000, 0.0001921500000000, 0.0002131200000000 ] - [ 0.0000908400000000, 0.0002528200000000, -0.0003710600000000 ] - [ 0.0006156100000000, 0.0000214800000000, -0.0003641400000000 ] - [ 0.0003179000000000, -0.0001063500000000, 0.0000097000000000 ] - [ 0.0002899000000000, -0.0002948800000000, 0.0003062500000000 ] - [ 0.0009972300000000, -0.0002262900000000, -0.0000733000000000 ] - [ 0.0002311300000000, 0.0001113400000000, -0.0002578500000000 ] - [ 0.0008929900000000, -0.0007702200000000, -0.0004265600000000 ] - [ 0.0004030200000000, -0.0001143500000000, -0.0001723900000000 ] - [ 0.0007987300000000, -0.0000959200000000, 0.0000336000000000 ] - [ 0.0010507700000000, -0.0000945600000000, 0.0009556900000000 ] - [ 0.0007035000000000, 0.0002777300000000, -0.0004710200000000 ] - [ 0.0001689300000000, 0.0001023900000000, 0.0003720800000000 ] - [ 0.0008885500000000, -0.0004882200000000, 0.0004358500000000 ] - [ 0.0008983800000000, 0.0005036200000000, 0.0004113000000000 ] - [ 0.0005522300000000, 0.0000566200000000, -0.0002906500000000 ] - [ 0.0006709300000000, -0.0002952700000000, -0.0004379900000000 ] - [ 0.0008543300000000, 0.0001398200000000, -0.0000238600000000 ] - [ 0.0012959300000000, 0.0004497900000000, -0.0001522400000000 ] - [ 0.0010153000000000, 0.0000804800000000, -0.0001120200000000 ] - [ 0.0014946200000000, -0.0000093100000000, 0.0003401400000000 ] - [ 0.0000907600000000, -0.0002487200000000, -0.0003766800000000 ] - [ 0.0012912900000000, 0.0001961800000000, -0.0000100000000000 ] - [ 0.0006054200000000, -0.0004065800000000, -0.0003991000000000 ] - [ 0.0011627000000000, 0.0006457400000000, 0.0000196100000000 ] - [ 0.0008506800000000, -0.0001451300000000, 0.0000580600000000 ] - [ 0.0005555300000000, -0.0000527500000000, -0.0003036900000000 ] - [ 0.0007829500000000, 0.0001093000000000, 0.0000979500000000 ] - [ 0.0007024500000000, -0.0000559900000000, 0.0006482800000000 ] - [ 0.0011578800000000, -0.0003820900000000, -0.0001615200000000 ] - [ 0.0012796700000000, -0.0002014500000000, -0.0000069100000000 ] - [ 0.0010002200000000, 0.0007645900000000, -0.0003455000000000 ] - [ 0.0006065000000000, -0.0000165900000000, -0.0003641800000000 ] - [ 0.0011756000000000, 0.0003836500000000, -0.0001410400000000 ] - [ 0.0015591800000000, 0.0009620300000000, 0.0005885700000000 ] - [ 0.0004566800000000, -0.0002801400000000, -0.0000494200000000 ] - [ 0.0002449800000000, -0.0001192700000000, -0.0002396100000000 ] - [ 0.0008925800000000, 0.0002518700000000, -0.0004284300000000 ] - [ 0.0004580000000000, -0.0003869900000000, -0.0002317100000000 ] - [ 0.0000610000000000, -0.0005383200000000, 0.0010686200000000 ] - [ 0.0004664500000000, 0.0002942600000000, -0.0000301600000000 ] - [ 0.0015228000000000, 0.0000111700000000, 0.0003457800000000 ] - [ 0.0008929800000000, -0.0002543300000000, -0.0004256900000000 ] - [ 0.0012425500000000, -0.0006667300000000, 0.0000322600000000 ] - [ 0.0007048800000000, 0.0004088400000000, -0.0001151700000000 ] - [ 0.0003211200000000, 0.0001102200000000, 0.0000045600000000 ] - [ 0.0004183500000000, 0.0000633500000000, -0.0003000800000000 ] - [ 0.0005969100000000, 0.0004023600000000, -0.0003985900000000 ] - [ 0.0002326300000000, 0.0003805500000000, 0.0007684800000000 ]- atom: 71 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0027510700000000, 0.0001383900000000, -0.0002182600000000 ] - [ -0.0013178400000000, -0.0003427300000000, -0.0008936900000000 ] - [ -0.0043216200000000, 0.0000679300000000, 0.0002209200000000 ] - [ -0.0071615500000000, -0.0034503800000000, -0.0000693800000000 ] - [ 0.0005876600000000, 0.0001090200000000, -0.0002879200000000 ] - [ 0.0001353000000000, -0.0002245900000000, 0.0002467400000000 ] - [ 0.0005890000000000, -0.0001101800000000, -0.0002857400000000 ] - [ 0.0001418400000000, 0.0002240400000000, 0.0002468000000000 ] - [ -0.0196410200000000, -0.0001195800000000, -0.0027187400000000 ] - [ -0.0038100200000000, -0.0002882700000000, -0.0004118200000000 ] - [ -0.0009431700000000, 0.0002975600000000, -0.0004625300000000 ] - [ 0.0062940500000000, 0.0007432900000000, 0.0006111500000000 ] - [ 0.0020803300000000, 0.0003005300000000, -0.0002875600000000 ] - [ 0.0020432400000000, -0.0002902800000000, -0.0003031900000000 ] - [ 0.0018692800000000, 0.0001699100000000, 0.0000874700000000 ] - [ 0.0020213400000000, -0.0001278300000000, 0.0001447100000000 ] - [ -0.0007045400000000, -0.0012776200000000, 0.0025837400000000 ] - [ 0.0018749000000000, -0.0009615900000000, -0.0008712100000000 ] - [ 0.0020361500000000, 0.0006801300000000, 0.0024153000000000 ] - [ 0.0014846500000000, 0.0010155300000000, 0.0011210900000000 ] - [ -0.0064621000000000, -0.0007618100000000, 0.0000114300000000 ] - [ -0.0004614800000000, 0.0001818100000000, 0.0006872900000000 ] - [ -0.0001530000000000, 0.0019109300000000, 0.0031779200000000 ] - [ 0.0011956900000000, -0.0009287500000000, 0.0006258400000000 ] - [ -0.0601433300000000, 0.0433985800000000, 0.0375064700000000 ] - [ 0.0009573800000000, -0.0002409600000000, -0.0015629200000000 ] - [ 0.0012987600000000, 0.0004370800000000, 0.0000952300000000 ] - [ 0.0021199100000000, -0.0001795700000000, -0.0009672500000000 ] - [ -0.0009996600000000, 0.0015580000000000, -0.0055985600000000 ] - [ 0.0027807600000000, -0.0002380100000000, 0.0014217400000000 ] - [ -0.0007012100000000, -0.0012694400000000, -0.0047319500000000 ] - [ 0.0043048500000000, 0.0029775200000000, -0.0016835800000000 ] - [ 0.0014533100000000, 0.0000435900000000, 0.0000371300000000 ] - [ 0.0020570900000000, -0.0009443700000000, 0.0006601400000000 ] - [ 0.0021033500000000, 0.0009148400000000, 0.0005346300000000 ] - [ 0.0019817700000000, 0.0013192100000000, 0.0006535000000000 ] - [ 0.0028566900000000, 0.0002880800000000, -0.0002761800000000 ] - [ 0.0016428300000000, -0.0001247600000000, -0.0002891900000000 ] - [ 0.0017648300000000, 0.0003573200000000, 0.0001623700000000 ] - [ 0.0007225300000000, -0.0006757000000000, 0.0010632600000000 ] - [ 0.0028787500000000, -0.0002924100000000, -0.0002661200000000 ] - [ 0.0019162700000000, -0.0001443300000000, 0.0000346200000000 ] - [ 0.0015066200000000, 0.0002123000000000, -0.0007078900000000 ] - [ 0.0018911500000000, -0.0004042200000000, 0.0000099600000000 ] - [ 0.0017505400000000, -0.0003638300000000, 0.0001902400000000 ] - [ 0.0021146300000000, 0.0001933800000000, -0.0001943300000000 ] - [ 0.0014556900000000, -0.0000465600000000, 0.0000705200000000 ] - [ 0.0017054000000000, 0.0001398300000000, -0.0001638100000000 ] - [ 0.0018023700000000, 0.0020270000000000, 0.0005922300000000 ] - [ 0.0150190300000000, 0.0039064900000000, -0.0082605400000000 ] - [ 0.0007895900000000, 0.0005703600000000, 0.0015876000000000 ] - [ -0.0006997800000000, 0.0001595900000000, 0.0003509000000000 ] - [ -0.0005926600000000, 0.0006903400000000, 0.0006787800000000 ] - [ 0.0002328400000000, -0.0000872800000000, -0.0009065500000000 ] - [ -0.0004849100000000, -0.0000422900000000, 0.0001066900000000 ] - [ -0.0007048300000000, -0.0000329100000000, 0.0010744500000000 ] - [ 0.0006576300000000, -0.0000150000000000, -0.0008828900000000 ] - [ -0.0018092200000000, 0.0005085000000000, 0.0000623900000000 ] - [ -0.0009162600000000, -0.0003181400000000, -0.0019433900000000 ] - [ -0.0014741800000000, -0.0004465800000000, 0.0000673900000000 ] - [ 0.0001454600000000, -0.0003099100000000, 0.0014102200000000 ] - [ -0.0006646500000000, 0.0012831500000000, -0.0012341200000000 ] - [ -0.0008414500000000, 0.0023783000000000, 0.0049122600000000 ] - [ -0.0003974700000000, -0.0000559300000000, 0.0004290200000000 ] - [ -0.0001799000000000, -0.0009588300000000, -0.0011749000000000 ] - [ -0.0010030600000000, -0.0007327900000000, 0.0003491700000000 ] - [ -0.0004698300000000, 0.0005237500000000, 0.0000072400000000 ] - [ 0.0028785700000000, 0.0001004200000000, 0.0015617100000000 ] - [ 0.0000425800000000, -0.0000610100000000, -0.0047170300000000 ] - [ -0.0016789200000000, -0.0077672500000000, -0.0127942200000000 ] - [ 0.0946341700000000, -0.0553569400000000, -0.0275800400000000 ] - [ 0.0006379800000000, 0.0002957400000000, 0.0000100800000000 ] - [ -0.0000058500000000, -0.0011627600000000, 0.0021838300000000 ] - [ 0.0017477300000000, -0.0005557200000000, -0.0034917700000000 ] - [ -0.0008762500000000, -0.0000866700000000, 0.0015901000000000 ] - [ -0.0006638300000000, -0.0007922400000000, 0.0006412800000000 ] - [ 0.0010417300000000, -0.0002959200000000, -0.0006626500000000 ] - [ 0.0032830700000000, -0.0006592700000000, 0.0016656700000000 ] - [ -0.0017510700000000, -0.0009360300000000, 0.0004905900000000 ] - [ 0.0023416800000000, -0.0010080400000000, -0.0006881700000000 ] - [ -0.0070491800000000, -0.0023485000000000, 0.0020889500000000 ] - [ -0.0011490200000000, -0.0000634900000000, 0.0005742600000000 ] - [ 0.0003232500000000, -0.0001070600000000, 0.0000535400000000 ] - [ -0.0052015400000000, -0.0010990300000000, 0.0059119200000000 ] - [ 0.0019202600000000, 0.0008744400000000, -0.0012925300000000 ] - [ -0.0004314800000000, -0.0005783700000000, 0.0000865700000000 ] - [ -0.0010714400000000, 0.0000402400000000, 0.0006667900000000 ] - [ -0.0028103200000000, 0.0036159100000000, 0.0005723400000000 ] - [ -0.0072924600000000, 0.0091024200000000, 0.0078825800000000 ] - [ -0.0014762900000000, 0.0037205200000000, 0.0025781200000000 ] - [ -0.0024288500000000, -0.0004320900000000, -0.0019916400000000 ] - [ -0.0006322400000000, 0.0008042800000000, 0.0003047000000000 ] - [ 0.0015450700000000, 0.0018137400000000, -0.0030230700000000 ] - [ -0.0004136200000000, -0.0003471800000000, -0.0009950000000000 ] - [ 0.0022908400000000, 0.0010188600000000, -0.0001978200000000 ] - [ -0.0007242200000000, 0.0000786500000000, 0.0009273500000000 ] - [ -0.0011301100000000, 0.0000189200000000, -0.0003219000000000 ] - [ -0.0011794400000000, -0.0009555000000000, 0.0000410000000000 ] - [ -0.0006452400000000, -0.0001287900000000, -0.0000506400000000 ] - [ -0.0007614900000000, 0.0000222700000000, 0.0008374600000000 ] - [ -0.0007107100000000, 0.0006617500000000, 0.0004828200000000 ] - [ -0.0010684800000000, -0.0000560100000000, -0.0007160800000000 ] - [ -0.0009696700000000, 0.0003242900000000, 0.0003008200000000 ] - [ -0.0005306800000000, 0.0002339400000000, -0.0001406600000000 ] - [ -0.0003151200000000, 0.0001423700000000, 0.0003052800000000 ] - [ -0.0021011400000000, 0.0004661400000000, -0.0002482100000000 ] - [ -0.0007915700000000, -0.0001602600000000, -0.0005036800000000 ] - [ -0.0012191300000000, -0.0004730300000000, 0.0003336600000000 ] - [ -0.0002188500000000, -0.0008145100000000, 0.0003751200000000 ] - [ -0.0002283700000000, 0.0007994000000000, 0.0003990200000000 ] - [ -0.0004850900000000, 0.0000296500000000, -0.0001422600000000 ] - [ -0.0007592700000000, 0.0001774000000000, -0.0005360800000000 ] - [ -0.0005153100000000, -0.0004976100000000, 0.0000325300000000 ] - [ -0.0010084800000000, -0.0008845400000000, 0.0005621500000000 ] - [ -0.0007513100000000, 0.0007212600000000, -0.0000021100000000 ] - [ -0.0012721100000000, -0.0000387600000000, -0.0004613600000000 ] - [ -0.0011301000000000, -0.0000230700000000, -0.0003168500000000 ] - [ -0.0010040200000000, 0.0000898500000000, -0.0006948200000000 ] - [ -0.0012769300000000, 0.0003735800000000, -0.0001521400000000 ] - [ -0.0008258500000000, 0.0000190000000000, -0.0006107500000000 ] - [ -0.0005119600000000, 0.0005033000000000, -0.0000490800000000 ] - [ -0.0004885800000000, -0.0000332600000000, -0.0001286200000000 ] - [ -0.0002994100000000, -0.0001554500000000, 0.0002418100000000 ] - [ -0.0006341400000000, -0.0009574100000000, 0.0000757300000000 ] - [ -0.0005292700000000, 0.0002026100000000, -0.0002709600000000 ] - [ -0.0009928500000000, -0.0000846400000000, -0.0006978800000000 ] - [ -0.0010760300000000, -0.0003190600000000, 0.0002197600000000 ] - [ -0.0011703000000000, 0.0009505600000000, 0.0000411300000000 ] - [ -0.0005469800000000, -0.0002041600000000, -0.0002915500000000 ] - [ -0.0019183300000000, -0.0002598700000000, 0.0009433800000000 ] - [ -0.0008490600000000, -0.0006370000000000, 0.0003271800000000 ] - [ -0.0010824500000000, 0.0000640700000000, -0.0007344100000000 ] - [ -0.0005014100000000, -0.0003372600000000, -0.0000963700000000 ] - [ -0.0001936100000000, -0.0004144600000000, 0.0001151300000000 ] - [ -0.0004230400000000, -0.0001624100000000, 0.0004594700000000 ] - [ -0.0008590700000000, 0.0006228500000000, 0.0003079000000000 ] - [ -0.0012992400000000, 0.0000375300000000, -0.0004675800000000 ] - [ -0.0005019900000000, 0.0003396700000000, -0.0000994900000000 ] - [ -0.0009051800000000, 0.0000017200000000, -0.0006227000000000 ] - [ -0.0006346900000000, 0.0006034700000000, 0.0008395700000000 ] - [ -0.0006491700000000, 0.0001254500000000, -0.0000456700000000 ] - [ -0.0005457300000000, -0.0001828200000000, -0.0000127600000000 ] - [ -0.0012684000000000, -0.0003695900000000, -0.0001526900000000 ] - [ -0.0007046000000000, -0.0001081500000000, 0.0003755900000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011301600000000, 0.0000911100000000, -0.0002149900000000 ] - [ -0.0006880100000000, -0.0002596200000000, -0.0005648400000000 ] - [ -0.0001708600000000, 0.0040494600000000, -0.0032445300000000 ] - [ 0.0010240400000000, 0.0012699900000000, 0.0019784900000000 ] - [ 0.0002352900000000, 0.0001145800000000, -0.0002944300000000 ] - [ -0.0001443400000000, -0.0002448600000000, 0.0001993300000000 ] - [ 0.0002359400000000, -0.0001151700000000, -0.0002932400000000 ] - [ -0.0001410600000000, 0.0002445700000000, 0.0001996400000000 ] - [ -0.0065303100000000, -0.0021740100000000, -0.0003853800000000 ] - [ -0.0013222700000000, -0.0000823900000000, -0.0011233600000000 ] - [ -0.0006635900000000, 0.0001752500000000, -0.0004407300000000 ] - [ 0.0042167700000000, 0.0018178800000000, 0.0000649300000000 ] - [ 0.0009290300000000, 0.0002140000000000, -0.0003230000000000 ] - [ 0.0009104500000000, -0.0002088200000000, -0.0003315600000000 ] - [ 0.0007166100000000, 0.0002215400000000, 0.0000890500000000 ] - [ 0.0007905200000000, -0.0002015100000000, 0.0001197800000000 ] - [ -0.0011680600000000, 0.0009422000000000, 0.0013867400000000 ] - [ 0.0012816000000000, -0.0009275700000000, -0.0003367900000000 ] - [ 0.0007130500000000, 0.0000686900000000, 0.0013038600000000 ] - [ 0.0004664400000000, 0.0007825600000000, 0.0009826200000000 ] - [ -0.0023017900000000, -0.0005708000000000, -0.0009948500000000 ] - [ -0.0001750000000000, 0.0001842300000000, -0.0002266900000000 ] - [ -0.0014780900000000, -0.0024393000000000, 0.0002153200000000 ] - [ 0.0003387500000000, -0.0007277500000000, 0.0007271200000000 ] - [ -0.0531792400000000, 0.1147609100000000, 0.0773696300000000 ] - [ 0.0006599700000000, -0.0002438300000000, -0.0006627600000000 ] - [ 0.0004894100000000, 0.0004140900000000, 0.0000528600000000 ] - [ 0.0009318300000000, -0.0002790700000000, -0.0003929700000000 ] - [ 0.0004136300000000, 0.0008172100000000, -0.0037948700000000 ] - [ 0.0016045500000000, -0.0002749800000000, 0.0011034600000000 ] - [ 0.0022976200000000, -0.0032465600000000, 0.0022822400000000 ] - [ 0.0012206800000000, 0.0007936600000000, -0.0010082300000000 ] - [ 0.0005989200000000, -0.0000121100000000, -0.0000134200000000 ] - [ 0.0012194600000000, -0.0008681500000000, 0.0005207900000000 ] - [ 0.0012461900000000, 0.0008519700000000, 0.0004620400000000 ] - [ 0.0007089200000000, 0.0008124900000000, 0.0007487900000000 ] - [ 0.0014284500000000, 0.0001047000000000, -0.0002126700000000 ] - [ 0.0007142800000000, -0.0000026300000000, -0.0002623700000000 ] - [ 0.0008496700000000, 0.0001006300000000, 0.0000079400000000 ] - [ 0.0000428200000000, -0.0005566000000000, 0.0009088300000000 ] - [ 0.0014390800000000, -0.0001059700000000, -0.0002079000000000 ] - [ 0.0009827500000000, -0.0001822500000000, 0.0001381700000000 ] - [ 0.0006576300000000, 0.0002813900000000, -0.0003434600000000 ] - [ 0.0008617000000000, -0.0004290400000000, 0.0000578000000000 ] - [ 0.0008416800000000, -0.0001052000000000, 0.0000216500000000 ] - [ 0.0010899900000000, 0.0002096700000000, 0.0000290200000000 ] - [ 0.0005986200000000, 0.0000100800000000, 0.0000024600000000 ] - [ 0.0007439900000000, 0.0000119800000000, -0.0001967800000000 ] - [ -0.0005061800000000, -0.0004639200000000, 0.0009759200000000 ] - [ 0.0066679000000000, 0.0361661300000000, 0.0036179700000000 ] - [ 0.0003317800000000, 0.0007407300000000, 0.0010547900000000 ] - [ -0.0004138100000000, -0.0000052300000000, 0.0004544500000000 ] - [ -0.0001910900000000, 0.0004393800000000, 0.0004453300000000 ] - [ 0.0003128100000000, 0.0000423400000000, 0.0001484100000000 ] - [ -0.0001539900000000, -0.0001976200000000, 0.0000274800000000 ] - [ -0.0003404600000000, 0.0000526900000000, 0.0004163300000000 ] - [ 0.0006246300000000, -0.0000234800000000, -0.0003314000000000 ] - [ -0.0010610600000000, 0.0003237200000000, 0.0002286200000000 ] - [ 0.0003055900000000, -0.0001662600000000, -0.0010347200000000 ] - [ -0.0009023900000000, -0.0002906500000000, 0.0002382600000000 ] - [ 0.0003643300000000, -0.0003247500000000, 0.0009488800000000 ] - [ -0.0004566300000000, 0.0014988000000000, -0.0009474600000000 ] - [ -0.0023066500000000, 0.0025275700000000, 0.0044343800000000 ] - [ -0.0002474600000000, -0.0000571300000000, 0.0001667600000000 ] - [ 0.0003217700000000, -0.0000657800000000, -0.0000084200000000 ] - [ -0.0004255800000000, -0.0004170100000000, 0.0002602400000000 ] - [ -0.0001237200000000, 0.0004459600000000, -0.0000339000000000 ] - [ 0.0012738900000000, 0.0000737000000000, 0.0008583600000000 ] - [ 0.0010157000000000, -0.0020427900000000, 0.0002243500000000 ] - [ 0.0039461700000000, -0.0022965300000000, 0.0022767300000000 ] - [ 0.0562995600000000, -0.1613049000000000, -0.0894591100000000 ] - [ 0.0003070500000000, 0.0003119500000000, -0.0000248400000000 ] - [ -0.0001243500000000, -0.0001956100000000, 0.0008103600000000 ] - [ 0.0008475400000000, 0.0002453000000000, -0.0007020300000000 ] - [ -0.0004410800000000, -0.0002205900000000, 0.0010837700000000 ] - [ -0.0002574800000000, -0.0006245500000000, 0.0004829300000000 ] - [ 0.0007010600000000, -0.0002100200000000, -0.0001843000000000 ] - [ 0.0014874300000000, -0.0005599500000000, 0.0007919900000000 ] - [ -0.0007053000000000, -0.0002171000000000, 0.0001340300000000 ] - [ 0.0006528900000000, 0.0000185000000000, -0.0000868600000000 ] - [ -0.0007145100000000, -0.0017560500000000, 0.0004074400000000 ] - [ -0.0005884200000000, 0.0001759400000000, 0.0006794300000000 ] - [ -0.0000782800000000, -0.0003869900000000, 0.0003836000000000 ] - [ 0.0026628200000000, -0.0002469700000000, -0.0034297700000000 ] - [ 0.0005882100000000, -0.0000103300000000, -0.0007889500000000 ] - [ -0.0001052200000000, -0.0004770300000000, 0.0000069900000000 ] - [ -0.0005543300000000, -0.0001867100000000, 0.0007262400000000 ] - [ -0.0017027000000000, 0.0031701100000000, 0.0003327700000000 ] - [ -0.0078976200000000, 0.0026587100000000, 0.0005501500000000 ] - [ -0.0038843500000000, 0.0065314600000000, 0.0032175100000000 ] - [ -0.0017684700000000, -0.0007581700000000, -0.0015748100000000 ] - [ -0.0002414500000000, 0.0006283000000000, 0.0003203600000000 ] - [ 0.0005713200000000, 0.0024260000000000, -0.0022009200000000 ] - [ -0.0001845900000000, -0.0001965000000000, -0.0006900800000000 ] - [ 0.0006647200000000, 0.0003489800000000, 0.0000395200000000 ] - [ -0.0004554100000000, 0.0001038500000000, 0.0007170800000000 ] - [ -0.0007750900000000, 0.0000860700000000, -0.0003369200000000 ] - [ -0.0006573400000000, -0.0006716900000000, -0.0000767000000000 ] - [ -0.0003640800000000, -0.0001216200000000, -0.0000332700000000 ] - [ -0.0004595900000000, -0.0000667000000000, 0.0006955100000000 ] - [ -0.0001896900000000, 0.0003839300000000, 0.0003176500000000 ] - [ -0.0006898900000000, -0.0000069100000000, -0.0005810900000000 ] - [ -0.0004300700000000, 0.0000116200000000, 0.0000979500000000 ] - [ -0.0002567200000000, 0.0001357700000000, -0.0001582300000000 ] - [ 0.0000079200000000, 0.0000733300000000, 0.0002285000000000 ] - [ -0.0013512000000000, 0.0002809300000000, -0.0000257800000000 ] - [ -0.0003575500000000, -0.0000334100000000, -0.0004938300000000 ] - [ -0.0008109900000000, -0.0003226300000000, 0.0003876200000000 ] - [ 0.0001038600000000, -0.0007203400000000, 0.0003925000000000 ] - [ 0.0000985900000000, 0.0007140300000000, 0.0004029400000000 ] - [ -0.0001817200000000, 0.0000376000000000, -0.0001871100000000 ] - [ -0.0003411300000000, 0.0000408500000000, -0.0005085800000000 ] - [ -0.0001164500000000, -0.0003115400000000, 0.0000182900000000 ] - [ -0.0003371600000000, -0.0004920800000000, 0.0003528500000000 ] - [ -0.0003055000000000, 0.0006355500000000, -0.0000397900000000 ] - [ -0.0004641400000000, -0.0000298700000000, -0.0002267500000000 ] - [ -0.0007753400000000, -0.0000879700000000, -0.0003345800000000 ] - [ -0.0003350000000000, 0.0001215100000000, -0.0004947700000000 ] - [ -0.0007288500000000, 0.0001470500000000, -0.0002234600000000 ] - [ -0.0002407400000000, 0.0002033300000000, -0.0004255500000000 ] - [ -0.0001147800000000, 0.0003142200000000, -0.0000230500000000 ] - [ -0.0001836300000000, -0.0000392600000000, -0.0001798200000000 ] - [ 0.0000161900000000, -0.0000792100000000, 0.0001973600000000 ] - [ -0.0002152300000000, -0.0006654300000000, 0.0002151000000000 ] - [ -0.0000374300000000, 0.0000321500000000, -0.0002375800000000 ] - [ -0.0003293600000000, -0.0001188600000000, -0.0004962600000000 ] - [ -0.0004870000000000, 0.0000002900000000, 0.0000553500000000 ] - [ -0.0006528500000000, 0.0006693300000000, -0.0000764500000000 ] - [ -0.0000455100000000, -0.0000327600000000, -0.0002484400000000 ] - [ -0.0007105900000000, -0.0000179400000000, 0.0008478500000000 ] - [ -0.0004689800000000, -0.0005335800000000, 0.0002181400000000 ] - [ -0.0006963100000000, 0.0000109900000000, -0.0005904900000000 ] - [ -0.0000959200000000, -0.0001660400000000, -0.0001930200000000 ] - [ 0.0000209700000000, -0.0003994800000000, 0.0000561400000000 ] - [ -0.0001583300000000, -0.0002832300000000, 0.0006426600000000 ] - [ -0.0004740600000000, 0.0005256100000000, 0.0002077500000000 ] - [ -0.0004772200000000, 0.0000295600000000, -0.0002303200000000 ] - [ -0.0000959700000000, 0.0001671700000000, -0.0001947200000000 ] - [ -0.0002814200000000, -0.0001926300000000, -0.0004327400000000 ] - [ -0.0002844000000000, 0.0005589600000000, 0.0005604500000000 ] - [ -0.0003662800000000, 0.0001201700000000, -0.0000309600000000 ] - [ -0.0002684700000000, -0.0001121100000000, -0.0000947900000000 ] - [ -0.0007246900000000, -0.0001450700000000, -0.0002234800000000 ] - [ -0.0004330000000000, 0.0000361900000000, 0.0004373000000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011063600000000, 0.0001436100000000, -0.0003838600000000 ] - [ 0.0000029600000000, -0.0002582600000000, 0.0009010600000000 ] - [ 0.0001865000000000, -0.0042542700000000, 0.0025251100000000 ] - [ -0.0019089000000000, -0.0009239100000000, -0.0017559300000000 ] - [ -0.0002658200000000, 0.0001221200000000, -0.0003029400000000 ] - [ -0.0005417300000000, -0.0002738100000000, 0.0001329800000000 ] - [ -0.0002663400000000, -0.0001221200000000, -0.0003042000000000 ] - [ -0.0005450800000000, 0.0002735600000000, 0.0001326400000000 ] - [ 0.0071076700000000, 0.0022766400000000, -0.0002635800000000 ] - [ 0.0015509500000000, -0.0002229500000000, 0.0004346800000000 ] - [ 0.0004746400000000, 0.0003328400000000, 0.0006447900000000 ] - [ -0.0043886800000000, -0.0023082900000000, 0.0001223200000000 ] - [ -0.0007118800000000, 0.0000893900000000, -0.0003766900000000 ] - [ -0.0006931700000000, -0.0000945500000000, -0.0003679800000000 ] - [ -0.0009042200000000, 0.0002875600000000, 0.0001107400000000 ] - [ -0.0009785600000000, -0.0003080100000000, 0.0000802600000000 ] - [ 0.0011270500000000, -0.0010161900000000, -0.0014862200000000 ] - [ -0.0000297300000000, -0.0006862200000000, 0.0011623000000000 ] - [ 0.0005457900000000, 0.0015399000000000, -0.0004717700000000 ] - [ -0.0010410200000000, 0.0003660500000000, 0.0006818100000000 ] - [ 0.0031454900000000, 0.0005202500000000, 0.0006657800000000 ] - [ 0.0002859300000000, -0.0000169300000000, -0.0002372200000000 ] - [ 0.0018795000000000, 0.0023426900000000, -0.0004211300000000 ] - [ -0.0009109800000000, -0.0004225900000000, 0.0009386100000000 ] - [ 0.0512148300000000, -0.1103271900000000, -0.0734142300000000 ] - [ 0.0000349100000000, -0.0001922600000000, 0.0010455000000000 ] - [ -0.0004203100000000, 0.0002757400000000, -0.0000989200000000 ] - [ -0.0008658100000000, -0.0004116300000000, 0.0003512000000000 ] - [ -0.0000113300000000, -0.0006672000000000, 0.0036238800000000 ] - [ -0.0009236300000000, 0.0007219700000000, -0.0007392400000000 ] - [ -0.0023396600000000, 0.0033587100000000, -0.0023804600000000 ] - [ -0.0011126500000000, -0.0009577100000000, 0.0005494800000000 ] - [ -0.0006239000000000, -0.0000888600000000, -0.0000830100000000 ] - [ 0.0000383300000000, -0.0007480200000000, 0.0003064200000000 ] - [ 0.0000115400000000, 0.0007641900000000, 0.0003660100000000 ] - [ -0.0012825000000000, 0.0003360200000000, 0.0009137400000000 ] - [ -0.0006027300000000, -0.0001554800000000, -0.0001181400000000 ] - [ -0.0006075400000000, 0.0001720300000000, -0.0002040800000000 ] - [ -0.0004523200000000, -0.0002615000000000, -0.0002098500000000 ] - [ -0.0006163400000000, -0.0005934200000000, 0.0007589300000000 ] - [ -0.0006135400000000, 0.0001568400000000, -0.0001227900000000 ] - [ -0.0002898400000000, -0.0002546100000000, 0.0002408300000000 ] - [ -0.0005917500000000, 0.0004094900000000, 0.0003002900000000 ] - [ -0.0007931900000000, -0.0002623600000000, -0.0001008700000000 ] - [ -0.0004437600000000, 0.0002658900000000, -0.0002230500000000 ] - [ -0.0003975500000000, 0.0002273600000000, 0.0003490000000000 ] - [ -0.0006239100000000, 0.0000908600000000, -0.0000991300000000 ] - [ -0.0006364900000000, -0.0001811800000000, -0.0002701300000000 ] - [ -0.0005391500000000, 0.0007280300000000, -0.0016656200000000 ] - [ -0.0072160100000000, -0.0366501700000000, -0.0037343000000000 ] - [ -0.0006666200000000, -0.0009872700000000, -0.0011077800000000 ] - [ -0.0000604800000000, -0.0002678200000000, 0.0006930700000000 ] - [ 0.0004699900000000, -0.0000004200000000, -0.0000330000000000 ] - [ -0.0011526100000000, 0.0000102100000000, -0.0011181500000000 ] - [ 0.0000710500000000, -0.0002442100000000, -0.0001518900000000 ] - [ 0.0002103100000000, 0.0000682100000000, -0.0007329900000000 ] - [ -0.0001439400000000, 0.0000722900000000, 0.0006663600000000 ] - [ 0.0000054600000000, 0.0000509300000000, 0.0004761800000000 ] - [ -0.0003974300000000, 0.0002856300000000, 0.0000620800000000 ] - [ -0.0001540500000000, -0.0000836000000000, 0.0004671100000000 ] - [ 0.0003033200000000, -0.0009783900000000, -0.0001397100000000 ] - [ 0.0011123600000000, -0.0001878900000000, 0.0017483900000000 ] - [ 0.0024028900000000, -0.0024666400000000, -0.0049274400000000 ] - [ 0.0001581800000000, -0.0000621900000000, -0.0011418600000000 ] - [ 0.0000065300000000, -0.0003038200000000, 0.0000108200000000 ] - [ 0.0007103300000000, -0.0000217500000000, 0.0001515900000000 ] - [ 0.0003860700000000, 0.0003561600000000, -0.0000793900000000 ] - [ -0.0010640500000000, -0.0001213100000000, -0.0009854500000000 ] - [ -0.0020320400000000, 0.0017728000000000, -0.0008693800000000 ] - [ -0.0037414000000000, 0.0025160500000000, -0.0030619000000000 ] - [ -0.0542462200000000, 0.1567827800000000, 0.0845962900000000 ] - [ 0.0000216500000000, 0.0003515600000000, -0.0005718700000000 ] - [ 0.0004618100000000, 0.0005540800000000, -0.0008027000000000 ] - [ -0.0007869700000000, -0.0003414400000000, 0.0002625700000000 ] - [ 0.0009226900000000, 0.0001747100000000, -0.0007420200000000 ] - [ 0.0003225900000000, -0.0003905500000000, 0.0002406200000000 ] - [ -0.0000813300000000, 0.0000336100000000, -0.0002478900000000 ] - [ -0.0012202200000000, 0.0002818000000000, -0.0015080900000000 ] - [ 0.0006245000000000, 0.0006594800000000, -0.0002592000000000 ] - [ -0.0012274900000000, 0.0009217500000000, -0.0002348700000000 ] - [ 0.0013059100000000, 0.0019492100000000, -0.0008450000000000 ] - [ 0.0002230100000000, 0.0005232700000000, 0.0008460200000000 ] - [ -0.0003198500000000, -0.0005312900000000, -0.0001105200000000 ] - [ -0.0034834000000000, 0.0002010900000000, 0.0024379000000000 ] - [ -0.0002056700000000, -0.0000830500000000, 0.0002636400000000 ] - [ 0.0003671200000000, -0.0003247600000000, -0.0001202200000000 ] - [ 0.0001884400000000, -0.0005124000000000, 0.0007986400000000 ] - [ 0.0013109200000000, -0.0022694800000000, -0.0000546200000000 ] - [ 0.0079484500000000, -0.0025635400000000, -0.0006278400000000 ] - [ 0.0042934100000000, -0.0064649300000000, -0.0037149700000000 ] - [ 0.0021349400000000, 0.0001047600000000, 0.0010028300000000 ] - [ 0.0003068300000000, 0.0003870800000000, 0.0004038300000000 ] - [ -0.0008871900000000, -0.0022342700000000, 0.0022002900000000 ] - [ 0.0000542100000000, 0.0000764400000000, 0.0003850200000000 ] - [ -0.0013467600000000, -0.0003199600000000, -0.0005914300000000 ] - [ -0.0000187300000000, 0.0001678900000000, 0.0004276600000000 ] - [ -0.0002683400000000, 0.0001838900000000, -0.0003568200000000 ] - [ 0.0000886600000000, -0.0002651800000000, -0.0002448500000000 ] - [ 0.0000346400000000, -0.0001128500000000, -0.0000086500000000 ] - [ -0.0000143500000000, -0.0002055600000000, 0.0004503600000000 ] - [ 0.0004695100000000, 0.0000553400000000, 0.0000949000000000 ] - [ -0.0001523100000000, 0.0000611600000000, -0.0003930300000000 ] - [ 0.0003500300000000, -0.0004554900000000, -0.0002229900000000 ] - [ 0.0001265300000000, -0.0000144800000000, -0.0001561500000000 ] - [ 0.0004709400000000, -0.0000250500000000, 0.0001099500000000 ] - [ 0.0002920200000000, 0.0000937000000000, 0.0007299400000000 ] - [ 0.0002635500000000, 0.0001499200000000, -0.0004795000000000 ] - [ -0.0002438300000000, -0.0000514400000000, 0.0003171500000000 ] - [ 0.0005616000000000, -0.0005835900000000, 0.0004190700000000 ] - [ 0.0005669700000000, 0.0005901100000000, 0.0004080400000000 ] - [ 0.0002476500000000, 0.0000491700000000, -0.0002450300000000 ] - [ 0.0002473600000000, -0.0001575100000000, -0.0004643800000000 ] - [ 0.0004516900000000, -0.0000472900000000, -0.0000085100000000 ] - [ 0.0006172700000000, 0.0000531900000000, 0.0000603900000000 ] - [ 0.0005658800000000, 0.0001683900000000, -0.0000716300000000 ] - [ 0.0006786200000000, -0.0000171200000000, 0.0001049700000000 ] - [ -0.0002681600000000, -0.0001819000000000, -0.0003596700000000 ] - [ 0.0006173000000000, 0.0001640900000000, -0.0002117300000000 ] - [ 0.0000532700000000, -0.0001776900000000, -0.0003260500000000 ] - [ 0.0005719500000000, 0.0004609100000000, -0.0001672700000000 ] - [ 0.0004496700000000, 0.0000450400000000, 0.0000330000000000 ] - [ 0.0002493500000000, -0.0000471800000000, -0.0002517300000000 ] - [ 0.0004628500000000, 0.0000312400000000, 0.0001414500000000 ] - [ 0.0002793400000000, -0.0003507200000000, 0.0005068900000000 ] - [ 0.0006614700000000, -0.0002101800000000, -0.0001930700000000 ] - [ 0.0006112100000000, -0.0001667000000000, -0.0002102700000000 ] - [ 0.0004064400000000, 0.0004430500000000, -0.0001802900000000 ] - [ 0.0000841700000000, 0.0002675200000000, -0.0002450400000000 ] - [ 0.0006695000000000, 0.0002107900000000, -0.0001823200000000 ] - [ 0.0003474600000000, 0.0007158800000000, 0.0006810800000000 ] - [ 0.0000721000000000, -0.0003844800000000, 0.0000587000000000 ] - [ -0.0001460600000000, -0.0000649000000000, -0.0003838900000000 ] - [ 0.0004825100000000, 0.0000789500000000, -0.0003309700000000 ] - [ 0.0002418400000000, -0.0004018100000000, -0.0001704500000000 ] - [ -0.0002070600000000, -0.0004154900000000, 0.0008809900000000 ] - [ 0.0000768100000000, 0.0003924800000000, 0.0000691000000000 ] - [ 0.0006925100000000, 0.0000180700000000, 0.0001079600000000 ] - [ 0.0004824400000000, -0.0000801100000000, -0.0003296800000000 ] - [ 0.0006130400000000, -0.0004718500000000, -0.0001593800000000 ] - [ 0.0003504900000000, 0.0004551900000000, 0.0001643800000000 ] - [ 0.0000362000000000, 0.0001148400000000, -0.0000111900000000 ] - [ 0.0001385500000000, -0.0000088000000000, -0.0002190200000000 ] - [ 0.0000491300000000, 0.0001757100000000, -0.0003260400000000 ] - [ -0.0000414200000000, 0.0002358700000000, 0.0007075500000000 ]- atom: 71 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0008607600000000, 0.0001699100000000, -0.0015871900000000 ] - [ -0.0002996400000000, -0.0002145200000000, -0.0015437900000000 ] - [ -0.0005154000000000, -0.0009984300000000, 0.0025011100000000 ] - [ -0.0008404400000000, -0.0001861700000000, 0.0027717100000000 ] - [ 0.0000753500000000, 0.0001170700000000, -0.0002995500000000 ] - [ -0.0002759800000000, -0.0002546900000000, 0.0001731200000000 ] - [ 0.0000732400000000, -0.0001173200000000, -0.0002947300000000 ] - [ -0.0002675000000000, 0.0002531400000000, 0.0001832600000000 ] - [ 0.0082551900000000, -0.0080243600000000, 0.0119322000000000 ] - [ 0.0004869600000000, 0.0000774400000000, -0.0035027700000000 ] - [ -0.0011050400000000, -0.0001330600000000, -0.0019506300000000 ] - [ 0.0015954500000000, -0.0007039200000000, 0.0022510500000000 ] - [ 0.0004119900000000, 0.0001809100000000, -0.0003157800000000 ] - [ 0.0003867000000000, -0.0001651000000000, -0.0003683700000000 ] - [ 0.0001670700000000, 0.0002621200000000, 0.0000253800000000 ] - [ 0.0002517700000000, -0.0002145300000000, 0.0001868100000000 ] - [ -0.0051925000000000, 0.0037635000000000, -0.0014335000000000 ] - [ 0.0019045500000000, -0.0010060700000000, -0.0004957500000000 ] - [ -0.0005367600000000, 0.0004383900000000, 0.0011410700000000 ] - [ -0.0001702400000000, 0.0005625200000000, 0.0010754700000000 ] - [ 0.0000737600000000, -0.0005252200000000, -0.0042485300000000 ] - [ 0.0001034100000000, 0.0002286200000000, -0.0019223300000000 ] - [ -0.0023361200000000, -0.0048275700000000, -0.0018618400000000 ] - [ 0.0000411100000000, -0.0006875400000000, 0.0006005900000000 ] - [ -0.0462946100000000, 0.0922223100000000, 0.1129866900000000 ] - [ 0.0007724300000000, -0.0003075700000000, -0.0008750700000000 ] - [ -0.0000989800000000, 0.0004068700000000, -0.0001318400000000 ] - [ 0.0006707300000000, -0.0002809100000000, -0.0001839100000000 ] - [ 0.0025368400000000, 0.0003351800000000, -0.0035272400000000 ] - [ 0.0001526500000000, 0.0000144800000000, 0.0012231500000000 ] - [ 0.0054620100000000, -0.0030911600000000, 0.0005783500000000 ] - [ 0.0017815400000000, 0.0023361600000000, 0.0016789100000000 ] - [ 0.0002208000000000, -0.0000358700000000, -0.0000439700000000 ] - [ 0.0007748900000000, -0.0008347800000000, 0.0004277900000000 ] - [ 0.0009131300000000, 0.0008151800000000, 0.0004494000000000 ] - [ 0.0006073000000000, 0.0010955200000000, 0.0012382700000000 ] - [ 0.0007712000000000, 0.0000199300000000, -0.0001948900000000 ] - [ 0.0003298300000000, 0.0000294100000000, -0.0003243500000000 ] - [ 0.0004525400000000, -0.0000155800000000, -0.0000558300000000 ] - [ -0.0006069700000000, -0.0002868800000000, 0.0004642600000000 ] - [ 0.0007812100000000, -0.0000243500000000, -0.0001665500000000 ] - [ 0.0004582000000000, -0.0001988000000000, 0.0001623500000000 ] - [ 0.0003656400000000, 0.0002648500000000, -0.0004677000000000 ] - [ 0.0001775200000000, -0.0004058700000000, 0.0003072500000000 ] - [ 0.0004091800000000, 0.0000140100000000, -0.0000640400000000 ] - [ 0.0007372000000000, 0.0002295700000000, 0.0001263500000000 ] - [ 0.0001881100000000, 0.0000367800000000, -0.0000249200000000 ] - [ 0.0002539700000000, -0.0000773600000000, -0.0001415700000000 ] - [ -0.0008891600000000, 0.0011139600000000, 0.0011375600000000 ] - [ 0.0045568300000000, -0.0025598100000000, -0.0134487700000000 ] - [ -0.0006766500000000, 0.0001239300000000, 0.0016521900000000 ] - [ -0.0001844500000000, -0.0001527900000000, 0.0005587100000000 ] - [ -0.0001274600000000, 0.0004320000000000, 0.0005402600000000 ] - [ 0.0009860300000000, 0.0004255500000000, 0.0025977900000000 ] - [ 0.0001102700000000, -0.0003496000000000, 0.0001006500000000 ] - [ -0.0003861400000000, -0.0000199800000000, 0.0002819500000000 ] - [ 0.0011286200000000, -0.0003039900000000, -0.0000082400000000 ] - [ -0.0008789200000000, 0.0003019300000000, 0.0002301800000000 ] - [ 0.0008474900000000, -0.0000063800000000, -0.0014711800000000 ] - [ -0.0005348300000000, -0.0001679100000000, 0.0003912500000000 ] - [ 0.0000080400000000, -0.0003912800000000, 0.0013685900000000 ] - [ 0.0004625600000000, 0.0011742600000000, -0.0006539100000000 ] - [ -0.0029589500000000, 0.0020245200000000, 0.0014853700000000 ] - [ -0.0007137100000000, 0.0001276600000000, 0.0008331100000000 ] - [ 0.0012453300000000, 0.0013911800000000, 0.0016721000000000 ] - [ 0.0002095600000000, -0.0001070800000000, -0.0000605600000000 ] - [ 0.0000821400000000, 0.0003885600000000, -0.0001075400000000 ] - [ 0.0008443100000000, 0.0001725200000000, 0.0015898400000000 ] - [ 0.0064824800000000, -0.0016685900000000, 0.0077786700000000 ] - [ 0.0104837200000000, 0.0067850000000000, 0.0100818700000000 ] - [ 0.0285995300000000, -0.0896823700000000, -0.1282548200000000 ] - [ 0.0000162500000000, 0.0004657300000000, 0.0003501300000000 ] - [ -0.0005841200000000, 0.0002211800000000, 0.0001237200000000 ] - [ 0.0001834600000000, 0.0002641200000000, 0.0019809900000000 ] - [ -0.0008241700000000, -0.0003933800000000, 0.0005150700000000 ] - [ -0.0001273500000000, -0.0005549800000000, 0.0005000700000000 ] - [ 0.0005577800000000, -0.0001703800000000, 0.0005054800000000 ] - [ 0.0002380300000000, -0.0002400200000000, 0.0010039700000000 ] - [ -0.0007319100000000, -0.0003442500000000, -0.0000484700000000 ] - [ -0.0004072500000000, 0.0007939700000000, 0.0010394700000000 ] - [ -0.0045013300000000, -0.0010762700000000, -0.0007311900000000 ] - [ -0.0002817400000000, 0.0003122100000000, 0.0006996800000000 ] - [ -0.0006450800000000, -0.0008436000000000, 0.0011904100000000 ] - [ -0.0027681600000000, 0.0006806900000000, -0.0024677300000000 ] - [ 0.0005212000000000, -0.0012089000000000, 0.0007501800000000 ] - [ 0.0000141900000000, -0.0004571400000000, 0.0000278900000000 ] - [ -0.0003488600000000, -0.0002707800000000, 0.0007807300000000 ] - [ 0.0005648300000000, -0.0002408800000000, -0.0013860400000000 ] - [ 0.0016711700000000, -0.0053834300000000, -0.0116972300000000 ] - [ -0.0064642100000000, 0.0082232500000000, 0.0044929600000000 ] - [ -0.0000485500000000, -0.0004136300000000, -0.0012742100000000 ] - [ -0.0000132200000000, 0.0005495600000000, 0.0002809300000000 ] - [ 0.0003468500000000, 0.0015440100000000, -0.0017417800000000 ] - [ 0.0001414700000000, -0.0001146000000000, -0.0004887300000000 ] - [ -0.0003767900000000, -0.0002843100000000, 0.0011635300000000 ] - [ -0.0003993900000000, 0.0001097700000000, 0.0006593700000000 ] - [ -0.0006078600000000, 0.0001172400000000, -0.0003448300000000 ] - [ -0.0004172100000000, -0.0005405300000000, -0.0001345400000000 ] - [ -0.0002327800000000, -0.0001192100000000, -0.0000209300000000 ] - [ -0.0003962500000000, -0.0001232000000000, 0.0007366700000000 ] - [ 0.0001406300000000, 0.0001827500000000, 0.0002720200000000 ] - [ -0.0005211700000000, 0.0000169700000000, -0.0005117100000000 ] - [ -0.0002350900000000, -0.0000779500000000, 0.0000970800000000 ] - [ -0.0001002100000000, 0.0000787100000000, -0.0001690800000000 ] - [ 0.0001415300000000, 0.0000415500000000, 0.0002047900000000 ] - [ -0.0006883100000000, 0.0001928300000000, 0.0000151600000000 ] - [ -0.0001837800000000, 0.0000217400000000, -0.0004945300000000 ] - [ -0.0006271400000000, -0.0002523700000000, 0.0006132400000000 ] - [ 0.0002601800000000, -0.0006699300000000, 0.0004210100000000 ] - [ 0.0002395500000000, 0.0006798000000000, 0.0003862500000000 ] - [ -0.0000389500000000, 0.0000401400000000, -0.0002101600000000 ] - [ -0.0001294900000000, -0.0000293800000000, -0.0004852900000000 ] - [ 0.0000487700000000, -0.0002252200000000, 0.0000457000000000 ] - [ -0.0001762900000000, -0.0004379300000000, 0.0002388300000000 ] - [ 0.0000342600000000, 0.0003314800000000, -0.0004346700000000 ] - [ -0.0000904200000000, -0.0000248100000000, -0.0001117500000000 ] - [ -0.0006153600000000, -0.0001186200000000, -0.0003409400000000 ] - [ -0.0000376400000000, 0.0001352500000000, -0.0004078200000000 ] - [ -0.0004756500000000, 0.0000415400000000, -0.0002616200000000 ] - [ 0.0000717500000000, 0.0003133900000000, -0.0003092000000000 ] - [ 0.0000840200000000, 0.0002280300000000, -0.0000364700000000 ] - [ -0.0000479400000000, -0.0000434500000000, -0.0001952000000000 ] - [ 0.0001733800000000, -0.0000442000000000, 0.0001633600000000 ] - [ 0.0002061100000000, -0.0004151700000000, 0.0003836600000000 ] - [ 0.0001750500000000, -0.0000387300000000, -0.0002080300000000 ] - [ -0.0000176100000000, -0.0001329100000000, -0.0004012200000000 ] - [ -0.0001209400000000, 0.0002107600000000, -0.0001332400000000 ] - [ -0.0004142300000000, 0.0005388000000000, -0.0001273700000000 ] - [ 0.0001969900000000, 0.0000528500000000, -0.0002393700000000 ] - [ -0.0012261800000000, 0.0000795200000000, 0.0004785500000000 ] - [ -0.0003071400000000, -0.0004978200000000, 0.0001903300000000 ] - [ -0.0005158700000000, -0.0000100900000000, -0.0005326200000000 ] - [ 0.0000859300000000, -0.0000881700000000, -0.0002348400000000 ] - [ 0.0000856200000000, -0.0004793300000000, 0.0003267700000000 ] - [ 0.0003827400000000, -0.0004635200000000, 0.0009483900000000 ] - [ -0.0002845500000000, 0.0004712000000000, 0.0001368300000000 ] - [ -0.0001104500000000, 0.0000251400000000, -0.0001286900000000 ] - [ 0.0000948300000000, 0.0000858400000000, -0.0002404400000000 ] - [ -0.0000489000000000, -0.0002564400000000, -0.0003786600000000 ] - [ -0.0003155300000000, 0.0006365900000000, 0.0004184900000000 ] - [ -0.0002398000000000, 0.0001188300000000, -0.0000311300000000 ] - [ -0.0001693700000000, -0.0000852200000000, -0.0001198700000000 ] - [ -0.0004749600000000, -0.0000414700000000, -0.0002516900000000 ] - [ -0.0002265500000000, 0.0000992200000000, 0.0004366700000000 ]- atom: 71 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0008306900000000, 0.0000661700000000, 0.0009922700000000 ] - [ -0.0003859200000000, -0.0003034100000000, 0.0018770300000000 ] - [ 0.0006258500000000, 0.0010102900000000, -0.0034469800000000 ] - [ 0.0000974600000000, 0.0006462800000000, -0.0024604000000000 ] - [ -0.0001043400000000, 0.0001196800000000, -0.0002978400000000 ] - [ -0.0004094100000000, -0.0002637300000000, 0.0001594300000000 ] - [ -0.0001021000000000, -0.0001199800000000, -0.0003027800000000 ] - [ -0.0004178700000000, 0.0002647500000000, 0.0001492000000000 ] - [ -0.0079440300000000, 0.0082513700000000, -0.0127585600000000 ] - [ -0.0002718500000000, -0.0003796700000000, 0.0027993700000000 ] - [ 0.0009245700000000, 0.0006445400000000, 0.0021545000000000 ] - [ -0.0017926200000000, 0.0001902600000000, -0.0020534600000000 ] - [ -0.0001896700000000, 0.0001227100000000, -0.0003847900000000 ] - [ -0.0001643600000000, -0.0001383600000000, -0.0003321000000000 ] - [ -0.0003513200000000, 0.0002471000000000, 0.0001750200000000 ] - [ -0.0004353600000000, -0.0002948300000000, 0.0000139000000000 ] - [ 0.0051685300000000, -0.0038730700000000, 0.0013329500000000 ] - [ -0.0006446200000000, -0.0006104600000000, 0.0013256800000000 ] - [ 0.0017948600000000, 0.0011787500000000, -0.0003199500000000 ] - [ -0.0003983200000000, 0.0005877100000000, 0.0005919700000000 ] - [ 0.0007465600000000, 0.0004751400000000, 0.0039276800000000 ] - [ 0.0000066500000000, -0.0000598100000000, 0.0014534300000000 ] - [ 0.0027770900000000, 0.0046431800000000, 0.0016818900000000 ] - [ -0.0006104600000000, -0.0004624600000000, 0.0010642100000000 ] - [ 0.0452890000000000, -0.0886977600000000, -0.1114333700000000 ] - [ -0.0000778400000000, -0.0001305500000000, 0.0012459000000000 ] - [ 0.0001667100000000, 0.0002862200000000, 0.0000887100000000 ] - [ -0.0005982400000000, -0.0004102000000000, 0.0001375300000000 ] - [ -0.0021353100000000, -0.0001719500000000, 0.0033021200000000 ] - [ 0.0005499400000000, 0.0004206200000000, -0.0008338500000000 ] - [ -0.0055033300000000, 0.0031859600000000, -0.0006438400000000 ] - [ -0.0016456700000000, -0.0024975900000000, -0.0021561900000000 ] - [ -0.0002436900000000, -0.0000646700000000, -0.0000530400000000 ] - [ 0.0004847500000000, -0.0007814000000000, 0.0004000400000000 ] - [ 0.0003466400000000, 0.0008006700000000, 0.0003778200000000 ] - [ -0.0011775100000000, 0.0000541300000000, 0.0004283700000000 ] - [ 0.0000590500000000, -0.0000698300000000, -0.0001347700000000 ] - [ -0.0002185200000000, 0.0001385800000000, -0.0001425500000000 ] - [ -0.0000498200000000, -0.0001444100000000, -0.0001456000000000 ] - [ 0.0000396900000000, -0.0008643700000000, 0.0012015700000000 ] - [ 0.0000489600000000, 0.0000742200000000, -0.0001629900000000 ] - [ 0.0002398800000000, -0.0002396800000000, 0.0002153200000000 ] - [ -0.0002950800000000, 0.0004272800000000, 0.0004237700000000 ] - [ -0.0001078200000000, -0.0002856000000000, -0.0003530000000000 ] - [ -0.0000062500000000, 0.0001457000000000, -0.0001371700000000 ] - [ -0.0000397600000000, 0.0002087400000000, 0.0002516200000000 ] - [ -0.0002112000000000, 0.0000638300000000, -0.0000720700000000 ] - [ -0.0001427200000000, -0.0000907800000000, -0.0003259300000000 ] - [ -0.0001401700000000, -0.0008193200000000, -0.0018476200000000 ] - [ -0.0050174100000000, 0.0016157400000000, 0.0129966700000000 ] - [ 0.0003504100000000, -0.0003548800000000, -0.0016925900000000 ] - [ -0.0002903200000000, -0.0001197400000000, 0.0005874000000000 ] - [ 0.0004043600000000, 0.0000097600000000, -0.0001242400000000 ] - [ -0.0018377300000000, -0.0003709900000000, -0.0035923200000000 ] - [ -0.0001891300000000, -0.0000955700000000, -0.0002258000000000 ] - [ 0.0002538400000000, 0.0001416700000000, -0.0005918900000000 ] - [ -0.0006539500000000, 0.0003534800000000, 0.0003478500000000 ] - [ -0.0001795500000000, 0.0000747100000000, 0.0004741200000000 ] - [ -0.0009411800000000, 0.0001238400000000, 0.0005040900000000 ] - [ -0.0005223700000000, -0.0002080400000000, 0.0003133900000000 ] - [ 0.0006568200000000, -0.0009126500000000, -0.0005583500000000 ] - [ 0.0002036600000000, 0.0001286900000000, 0.0014720100000000 ] - [ 0.0030317200000000, -0.0019469400000000, -0.0018974700000000 ] - [ 0.0006180800000000, -0.0002442600000000, -0.0018062800000000 ] - [ -0.0009041800000000, -0.0017390700000000, -0.0016539000000000 ] - [ 0.0000655700000000, -0.0003343400000000, 0.0004743000000000 ] - [ 0.0001791000000000, 0.0004130800000000, -0.0000051100000000 ] - [ -0.0006339100000000, -0.0002188200000000, -0.0017136300000000 ] - [ -0.0075852200000000, 0.0013870900000000, -0.0085658000000000 ] - [ -0.0100089800000000, -0.0064003600000000, -0.0106012300000000 ] - [ -0.0277712700000000, 0.0859402400000000, 0.1264474300000000 ] - [ 0.0003158800000000, 0.0002007900000000, -0.0009399300000000 ] - [ 0.0009193500000000, 0.0001327200000000, -0.0001067500000000 ] - [ -0.0001191600000000, -0.0003485500000000, -0.0024107700000000 ] - [ 0.0013032800000000, 0.0003448000000000, -0.0001815800000000 ] - [ 0.0001911600000000, -0.0004610900000000, 0.0002239100000000 ] - [ 0.0000651400000000, -0.0000072300000000, -0.0009354800000000 ] - [ 0.0000482600000000, -0.0000472300000000, -0.0017081200000000 ] - [ 0.0006479000000000, 0.0007856500000000, -0.0000759200000000 ] - [ -0.0001580300000000, 0.0001397300000000, -0.0013637000000000 ] - [ 0.0051019500000000, 0.0012450600000000, 0.0003201100000000 ] - [ -0.0000861400000000, 0.0003858500000000, 0.0008235000000000 ] - [ 0.0002475200000000, -0.0000756400000000, -0.0009129000000000 ] - [ 0.0019258000000000, -0.0007350800000000, 0.0014601900000000 ] - [ -0.0001315300000000, 0.0011280900000000, -0.0012758300000000 ] - [ 0.0002472900000000, -0.0003447400000000, -0.0001401000000000 ] - [ -0.0000186100000000, -0.0004275800000000, 0.0007426700000000 ] - [ -0.0009869100000000, 0.0011847000000000, 0.0016643100000000 ] - [ -0.0015184600000000, 0.0053800700000000, 0.0114414700000000 ] - [ 0.0068270700000000, -0.0080826700000000, -0.0049581000000000 ] - [ 0.0003635800000000, -0.0002509400000000, 0.0006706900000000 ] - [ 0.0000771900000000, 0.0004668500000000, 0.0004410900000000 ] - [ -0.0006921100000000, -0.0012883900000000, 0.0016717800000000 ] - [ -0.0002711400000000, -0.0000085300000000, 0.0001678900000000 ] - [ -0.0002960200000000, 0.0003169900000000, -0.0017157600000000 ] - [ -0.0000760100000000, 0.0001633400000000, 0.0004889100000000 ] - [ -0.0004358400000000, 0.0001528200000000, -0.0003486400000000 ] - [ -0.0001521200000000, -0.0003961600000000, -0.0001870800000000 ] - [ -0.0000979100000000, -0.0001162900000000, -0.0000221100000000 ] - [ -0.0000788100000000, -0.0001496400000000, 0.0004101200000000 ] - [ 0.0001352400000000, 0.0002593000000000, 0.0001427000000000 ] - [ -0.0003229500000000, 0.0000365200000000, -0.0004631700000000 ] - [ 0.0001531300000000, -0.0003654900000000, -0.0002220700000000 ] - [ -0.0000309200000000, 0.0000438000000000, -0.0001463200000000 ] - [ 0.0003358200000000, 0.0000075400000000, 0.0001326800000000 ] - [ -0.0003679900000000, 0.0001837800000000, 0.0006902700000000 ] - [ 0.0000881800000000, 0.0000953200000000, -0.0004774600000000 ] - [ -0.0004313000000000, -0.0001236900000000, 0.0000906700000000 ] - [ 0.0004041200000000, -0.0006339800000000, 0.0003912600000000 ] - [ 0.0004248600000000, 0.0006242100000000, 0.0004258000000000 ] - [ 0.0001040300000000, 0.0000466300000000, -0.0002196600000000 ] - [ 0.0000343000000000, -0.0000876500000000, -0.0004867000000000 ] - [ 0.0002848600000000, -0.0001338200000000, -0.0000357900000000 ] - [ 0.0004530300000000, -0.0000034500000000, 0.0001759100000000 ] - [ 0.0002278700000000, 0.0004696400000000, 0.0003223000000000 ] - [ 0.0003005600000000, -0.0000214300000000, -0.0000106200000000 ] - [ -0.0004283500000000, -0.0001514100000000, -0.0003529800000000 ] - [ 0.0003174000000000, 0.0001492200000000, -0.0003003600000000 ] - [ -0.0002006100000000, -0.0000723000000000, -0.0002883300000000 ] - [ 0.0002565000000000, 0.0003511600000000, -0.0002844500000000 ] - [ 0.0002494300000000, 0.0001313400000000, 0.0000468500000000 ] - [ 0.0001128200000000, -0.0000430200000000, -0.0002341900000000 ] - [ 0.0003041900000000, -0.0000047200000000, 0.0001738500000000 ] - [ -0.0001424000000000, -0.0006008300000000, 0.0003404000000000 ] - [ 0.0004462200000000, -0.0001383900000000, -0.0002218200000000 ] - [ 0.0002968900000000, -0.0001515500000000, -0.0003068200000000 ] - [ 0.0000397900000000, 0.0002325200000000, 0.0000078400000000 ] - [ -0.0001550900000000, 0.0003978900000000, -0.0001942100000000 ] - [ 0.0004244100000000, 0.0001243600000000, -0.0001905500000000 ] - [ 0.0008597800000000, 0.0006194600000000, 0.0010438400000000 ] - [ -0.0000915900000000, -0.0004208600000000, 0.0000859500000000 ] - [ -0.0003285500000000, -0.0000430000000000, -0.0004426100000000 ] - [ 0.0002997300000000, 0.0000010700000000, -0.0002886800000000 ] - [ 0.0001751300000000, -0.0003226400000000, -0.0004395200000000 ] - [ -0.0007524300000000, -0.0002340800000000, 0.0005746000000000 ] - [ -0.0001143900000000, 0.0004474900000000, 0.0001393900000000 ] - [ 0.0003211700000000, 0.0000217400000000, 0.0000057700000000 ] - [ 0.0002906700000000, 0.0000012500000000, -0.0002835400000000 ] - [ 0.0003775100000000, -0.0004082800000000, -0.0002144700000000 ] - [ 0.0003794500000000, 0.0003799900000000, 0.0003038700000000 ] - [ -0.0000915500000000, 0.0001171900000000, -0.0000122000000000 ] - [ 0.0000383100000000, -0.0000372600000000, -0.0001955600000000 ] - [ -0.0002012900000000, 0.0000722700000000, -0.0002982900000000 ] - [ -0.0002485800000000, 0.0001738700000000, 0.0007115000000000 ]- atom: 72 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0001592700000000, 0.0000323500000000, -0.0013209800000000 ] - [ -0.0010483300000000, -0.0003554600000000, -0.0004632200000000 ] - [ -0.0000661100000000, -0.0002437900000000, 0.0010831500000000 ] - [ -0.0006181200000000, 0.0002600600000000, 0.0005354200000000 ] - [ -0.0006522500000000, 0.0001265600000000, -0.0002776100000000 ] - [ -0.0008318900000000, -0.0002844900000000, 0.0001816400000000 ] - [ -0.0007123500000000, -0.0001303900000000, -0.0003471100000000 ] - [ -0.0009103600000000, 0.0003068400000000, -0.0000221200000000 ] - [ 0.0041058900000000, 0.0007759400000000, 0.0008158800000000 ] - [ 0.0014890800000000, 0.0013011200000000, -0.0035967700000000 ] - [ -0.0031696200000000, 0.0004909700000000, -0.0000581200000000 ] - [ -0.0016027100000000, -0.0003025600000000, 0.0002504600000000 ] - [ -0.0019990600000000, -0.0000059900000000, -0.0004371200000000 ] - [ -0.0021003500000000, 0.0000076500000000, -0.0003817800000000 ] - [ -0.0027266000000000, 0.0000251300000000, 0.0015912400000000 ] - [ -0.0017556700000000, -0.0004511900000000, -0.0009746700000000 ] - [ -0.0020128400000000, -0.0002786800000000, 0.0005304000000000 ] - [ -0.0009048300000000, -0.0007353800000000, -0.0001578000000000 ] - [ -0.0010212900000000, 0.0006352900000000, 0.0005709900000000 ] - [ 0.0014607400000000, 0.0013908000000000, -0.0001126900000000 ] - [ -0.0051879800000000, -0.0008003300000000, 0.0004852900000000 ] - [ 0.0192446800000000, -0.0105939300000000, -0.0128294900000000 ] - [ 0.0041039000000000, 0.0008671300000000, -0.0051831800000000 ] - [ -0.0080934100000000, 0.0057063400000000, 0.0001736000000000 ] - [ 0.0006482400000000, -0.0001465700000000, -0.0004676000000000 ] - [ 0.1623181800000000, 0.0665758900000000, 0.0640745500000000 ] - [ 0.0021019700000000, -0.0012544500000000, 0.0044957800000000 ] - [ 0.0012148300000000, 0.0012917700000000, -0.0079519300000000 ] - [ 0.0079975000000000, -0.0057955600000000, 0.0130852500000000 ] - [ 0.0056725500000000, 0.0000524600000000, -0.0027813600000000 ] - [ -0.0011192700000000, 0.0000289900000000, -0.0007991900000000 ] - [ 0.0099022000000000, -0.0014781200000000, -0.0036835600000000 ] - [ -0.0020580500000000, -0.0001913800000000, -0.0003150600000000 ] - [ 0.0001550600000000, -0.0005743600000000, 0.0015894800000000 ] - [ -0.0018817000000000, 0.0005060800000000, -0.0013433900000000 ] - [ -0.0019627200000000, 0.0002010800000000, 0.0007543100000000 ] - [ -0.0024374200000000, -0.0003634500000000, 0.0000981300000000 ] - [ -0.0017474900000000, 0.0003263800000000, -0.0002377800000000 ] - [ -0.0014845500000000, -0.0005596900000000, -0.0003820500000000 ] - [ -0.0022558500000000, -0.0000572900000000, 0.0008167900000000 ] - [ -0.0021507800000000, 0.0003718900000000, -0.0001712200000000 ] - [ -0.0015301900000000, -0.0002655900000000, 0.0005066700000000 ] - [ -0.0018474500000000, 0.0003746500000000, 0.0002691600000000 ] - [ -0.0017711800000000, -0.0004217100000000, 0.0004302100000000 ] - [ -0.0015615600000000, 0.0005763500000000, -0.0004320300000000 ] - [ -0.0014688000000000, 0.0002752900000000, 0.0004630000000000 ] - [ -0.0012718600000000, 0.0001162600000000, -0.0000692800000000 ] - [ -0.0017244200000000, -0.0003227500000000, -0.0002426000000000 ] - [ -0.0000350100000000, 0.0002665400000000, 0.0001157200000000 ] - [ -0.0004982200000000, -0.0004355700000000, -0.0004446100000000 ] - [ 0.0016027800000000, -0.0057178500000000, -0.0041157200000000 ] - [ -0.0010829800000000, 0.0010149900000000, -0.0008062500000000 ] - [ 0.0192155800000000, -0.0001276800000000, -0.0007278700000000 ] - [ 0.0006549700000000, -0.0000065200000000, -0.0004132900000000 ] - [ -0.0035279100000000, 0.0025487600000000, -0.0015310500000000 ] - [ -0.0025497300000000, -0.0016452000000000, 0.0125822100000000 ] - [ 0.0010442500000000, -0.0001454200000000, -0.0002132600000000 ] - [ 0.0007092500000000, -0.0006695000000000, 0.0020335000000000 ] - [ 0.0007456100000000, 0.0002760400000000, -0.0007181200000000 ] - [ -0.0015760000000000, -0.0008066800000000, -0.0011356900000000 ] - [ 0.0010537400000000, -0.0003098200000000, 0.0007420100000000 ] - [ 0.0008577500000000, 0.0006288700000000, 0.0001420600000000 ] - [ 0.0004637200000000, -0.0003899100000000, -0.0054483300000000 ] - [ 0.0007463700000000, -0.0003396200000000, -0.0001678900000000 ] - [ -0.0029741500000000, -0.0001005100000000, 0.0024510400000000 ] - [ -0.0025529900000000, -0.0015978600000000, 0.0022532200000000 ] - [ -0.0001167300000000, 0.0005777000000000, 0.0005289700000000 ] - [ 0.0033048300000000, 0.0001150200000000, 0.0011769900000000 ] - [ 0.0001737800000000, -0.0002730500000000, -0.0009501400000000 ] - [ -0.0006404800000000, 0.0004500000000000, 0.0005284300000000 ] - [ -0.0008117100000000, 0.0001258500000000, -0.0004319500000000 ] - [ -0.2004946500000000, -0.0624152600000000, -0.0785496400000000 ] - [ -0.0068217100000000, 0.0042496400000000, -0.0001899700000000 ] - [ -0.0015774800000000, -0.0007583900000000, 0.0052237100000000 ] - [ 0.0006293600000000, 0.0000773300000000, 0.0003140200000000 ] - [ 0.0016190900000000, -0.0004061600000000, 0.0017674600000000 ] - [ -0.0017152800000000, 0.0050695800000000, 0.0105109300000000 ] - [ 0.0086607900000000, 0.0067061300000000, -0.0043937600000000 ] - [ -0.0032926900000000, -0.0018510400000000, 0.0019660100000000 ] - [ 0.0027281000000000, -0.0025526200000000, -0.0006776100000000 ] - [ -0.0036701100000000, -0.0014365200000000, -0.0013030200000000 ] - [ -0.0002934100000000, 0.0002095100000000, 0.0010079100000000 ] - [ -0.0063241700000000, -0.0024858900000000, 0.0033203300000000 ] - [ -0.0000583600000000, -0.0001878900000000, -0.0001240700000000 ] - [ 0.0013234400000000, 0.0006448800000000, -0.0010214600000000 ] - [ 0.0025914200000000, -0.0007396500000000, -0.0009840700000000 ] - [ 0.0025188300000000, -0.0016398500000000, 0.0010548700000000 ] - [ -0.0037232700000000, 0.0019924200000000, 0.0018439800000000 ] - [ 0.0004015300000000, 0.0000674400000000, -0.0002281400000000 ] - [ 0.0004579300000000, 0.0000324400000000, 0.0000353800000000 ] - [ -0.0025946700000000, 0.0004148900000000, -0.0004957900000000 ] - [ -0.0002426200000000, 0.0004515800000000, 0.0003139600000000 ] - [ -0.0009515900000000, -0.0005215600000000, 0.0015178300000000 ] - [ -0.0021153800000000, -0.0003480300000000, 0.0012232900000000 ] - [ 0.0022603700000000, 0.0019599100000000, -0.0004414600000000 ] - [ 0.0009961000000000, 0.0033293200000000, 0.0058771600000000 ] - [ 0.0000566900000000, 0.0002442100000000, -0.0003774500000000 ] - [ 0.0006650000000000, 0.0000457400000000, -0.0003461200000000 ] - [ 0.0003865900000000, -0.0001030800000000, 0.0000128300000000 ] - [ 0.0003032600000000, -0.0003678800000000, 0.0005836400000000 ] - [ 0.0012811500000000, -0.0004180700000000, -0.0001519500000000 ] - [ 0.0005153500000000, 0.0001180000000000, -0.0002736400000000 ] - [ 0.0010545200000000, -0.0008212700000000, -0.0004078700000000 ] - [ 0.0004625300000000, -0.0001001200000000, -0.0002541900000000 ] - [ 0.0010392500000000, -0.0002157600000000, 0.0002678200000000 ] - [ 0.0005978300000000, -0.0001340500000000, 0.0006035300000000 ] - [ 0.0009794900000000, 0.0005600200000000, -0.0000338600000000 ] - [ 0.0007864800000000, 0.0001251600000000, 0.0007437800000000 ] - [ 0.0008274500000000, -0.0006797500000000, -0.0002453500000000 ] - [ 0.0010754600000000, 0.0002397500000000, 0.0010181000000000 ] - [ 0.0006088500000000, 0.0000577300000000, -0.0002753500000000 ] - [ 0.0003703100000000, -0.0001300900000000, -0.0008176700000000 ] - [ 0.0009139800000000, 0.0001670500000000, 0.0000156900000000 ] - [ 0.0012084300000000, 0.0003651500000000, -0.0001343300000000 ] - [ 0.0007195400000000, 0.0002666900000000, -0.0001967700000000 ] - [ 0.0016589300000000, -0.0000147200000000, 0.0002796600000000 ] - [ 0.0002529000000000, -0.0002952500000000, -0.0003649700000000 ] - [ 0.0013641100000000, 0.0001973500000000, 0.0000173800000000 ] - [ 0.0006552100000000, -0.0004218500000000, -0.0003533400000000 ] - [ 0.0013232700000000, 0.0006913900000000, 0.0000586000000000 ] - [ 0.0009276200000000, -0.0001830800000000, 0.0000229100000000 ] - [ 0.0006004700000000, -0.0000536800000000, -0.0003338400000000 ] - [ 0.0006290600000000, 0.0000506900000000, -0.0000604700000000 ] - [ 0.0007918500000000, -0.0002184400000000, 0.0001792400000000 ] - [ 0.0012563500000000, -0.0004131100000000, -0.0001526700000000 ] - [ 0.0014326900000000, -0.0002092500000000, 0.0000332500000000 ] - [ 0.0010330200000000, 0.0008253600000000, -0.0004262200000000 ] - [ 0.0007319200000000, -0.0000889900000000, -0.0004268500000000 ] - [ 0.0012461600000000, 0.0004101400000000, -0.0001372100000000 ] - [ 0.0006854300000000, 0.0007458300000000, 0.0009645800000000 ] - [ 0.0005365900000000, -0.0002662500000000, -0.0000635400000000 ] - [ 0.0001327600000000, -0.0001152700000000, -0.0001873000000000 ] - [ 0.0010805500000000, 0.0003354600000000, -0.0004716400000000 ] - [ 0.0008378600000000, -0.0001980800000000, -0.0001535900000000 ] - [ 0.0010097900000000, -0.0008497600000000, 0.0008727600000000 ] - [ 0.0005164000000000, 0.0002751100000000, -0.0000510800000000 ] - [ 0.0015904000000000, -0.0000039000000000, 0.0004868500000000 ] - [ 0.0008531100000000, -0.0002389000000000, -0.0004187900000000 ] - [ 0.0012860400000000, -0.0006850000000000, 0.0000561900000000 ] - [ 0.0007711400000000, 0.0001541700000000, 0.0003359100000000 ] - [ 0.0003475700000000, 0.0001142500000000, 0.0000073600000000 ] - [ 0.0004557500000000, 0.0001092400000000, -0.0002327400000000 ] - [ 0.0007351700000000, 0.0004631400000000, -0.0004734300000000 ] - [ 0.0003189200000000, 0.0003530800000000, 0.0004826100000000 ]- atom: 72 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0001230100000000, 0.0002046600000000, 0.0007290800000000 ] - [ 0.0003663400000000, -0.0001628200000000, 0.0007996700000000 ] - [ 0.0000329800000000, 0.0000069100000000, -0.0016848100000000 ] - [ -0.0000687500000000, 0.0002583700000000, -0.0002056400000000 ] - [ 0.0006239200000000, 0.0001101500000000, -0.0003196500000000 ] - [ 0.0001476200000000, -0.0002339800000000, 0.0001513700000000 ] - [ 0.0006837100000000, -0.0001068200000000, -0.0002508500000000 ] - [ 0.0002257300000000, 0.0002113600000000, 0.0003536200000000 ] - [ -0.0038980100000000, -0.0004744600000000, -0.0015189800000000 ] - [ -0.0020210300000000, -0.0013328000000000, 0.0025279700000000 ] - [ 0.0029930800000000, 0.0000171700000000, 0.0002580000000000 ] - [ 0.0014145700000000, -0.0002068900000000, -0.0000518200000000 ] - [ 0.0022217300000000, 0.0003097100000000, -0.0002626100000000 ] - [ 0.0023222200000000, -0.0003112300000000, -0.0003175300000000 ] - [ 0.0025407900000000, 0.0004816000000000, -0.0013797000000000 ] - [ 0.0015796000000000, -0.0000575600000000, 0.0011690100000000 ] - [ 0.0019902400000000, 0.0001790100000000, -0.0006312300000000 ] - [ 0.0021642900000000, -0.0008810700000000, 0.0009882300000000 ] - [ 0.0022809800000000, 0.0009817500000000, 0.0002545200000000 ] - [ -0.0020175100000000, -0.0002368100000000, 0.0017726100000000 ] - [ 0.0060394100000000, 0.0007565100000000, -0.0008205500000000 ] - [ -0.0192253100000000, 0.0107013500000000, 0.0122379800000000 ] - [ -0.0037549700000000, -0.0010483800000000, 0.0049774800000000 ] - [ 0.0074579700000000, -0.0067950800000000, 0.0014589200000000 ] - [ 0.0001646500000000, 0.0002004600000000, 0.0001381100000000 ] - [ -0.1547895300000000, -0.0626952100000000, -0.0594933900000000 ] - [ -0.0019835800000000, 0.0019129500000000, -0.0045371500000000 ] - [ -0.0011339500000000, -0.0019639800000000, 0.0079021500000000 ] - [ -0.0076207800000000, 0.0059631000000000, -0.0132963200000000 ] - [ -0.0049684700000000, 0.0003757400000000, 0.0031221400000000 ] - [ 0.0010934300000000, 0.0000720800000000, 0.0007089600000000 ] - [ -0.0097680100000000, 0.0012874300000000, 0.0032306300000000 ] - [ 0.0020319100000000, 0.0000906200000000, 0.0002182500000000 ] - [ 0.0011118600000000, -0.0010410400000000, -0.0007513500000000 ] - [ 0.0031391800000000, 0.0011106000000000, 0.0021586400000000 ] - [ 0.0013911500000000, 0.0009500500000000, 0.0009107900000000 ] - [ 0.0032686000000000, 0.0003136700000000, -0.0004266500000000 ] - [ 0.0018602500000000, -0.0001568500000000, -0.0002283700000000 ] - [ 0.0018881300000000, 0.0003996500000000, 0.0001812500000000 ] - [ 0.0016858500000000, -0.0010944100000000, 0.0008474400000000 ] - [ 0.0029843700000000, -0.0003219400000000, -0.0001586900000000 ] - [ 0.0022267400000000, -0.0001693500000000, -0.0001293300000000 ] - [ 0.0019182600000000, 0.0003148800000000, -0.0003126800000000 ] - [ 0.0018413000000000, -0.0002674100000000, -0.0004742600000000 ] - [ 0.0019648500000000, -0.0004162800000000, 0.0002310200000000 ] - [ 0.0021654900000000, 0.0001598700000000, -0.0000852100000000 ] - [ 0.0012514600000000, -0.0000162600000000, -0.0000247800000000 ] - [ 0.0018373900000000, 0.0001531900000000, -0.0002240800000000 ] - [ -0.0010064600000000, 0.0000050300000000, -0.0008122100000000 ] - [ -0.0000643900000000, -0.0004976200000000, 0.0001213400000000 ] - [ -0.0019357800000000, 0.0055514000000000, 0.0041198300000000 ] - [ 0.0005988800000000, -0.0012785800000000, 0.0019514200000000 ] - [ -0.0183870400000000, 0.0005579600000000, 0.0011415600000000 ] - [ -0.0014997900000000, 0.0000628300000000, -0.0005601100000000 ] - [ 0.0033848800000000, -0.0029560300000000, 0.0014229100000000 ] - [ 0.0023470900000000, 0.0016963800000000, -0.0128085600000000 ] - [ -0.0005650500000000, 0.0001925100000000, 0.0005539000000000 ] - [ -0.0017680600000000, 0.0010410900000000, -0.0013249100000000 ] - [ -0.0008383700000000, -0.0001585800000000, -0.0002542000000000 ] - [ 0.0004988900000000, 0.0004278500000000, 0.0018293500000000 ] - [ -0.0003880200000000, -0.0009940200000000, 0.0000668800000000 ] - [ -0.0001904700000000, 0.0006730100000000, 0.0006707800000000 ] - [ -0.0003981200000000, 0.0004825700000000, 0.0050290700000000 ] - [ -0.0008395500000000, 0.0002228700000000, -0.0008078100000000 ] - [ 0.0033542700000000, -0.0002150600000000, -0.0023779800000000 ] - [ 0.0028226900000000, 0.0011537300000000, -0.0018314700000000 ] - [ 0.0003729700000000, 0.0002262600000000, -0.0006415100000000 ] - [ -0.0031125800000000, -0.0001663100000000, -0.0013096000000000 ] - [ -0.0012146600000000, 0.0000013400000000, 0.0002611900000000 ] - [ 0.0009382300000000, -0.0001625100000000, -0.0012323600000000 ] - [ 0.0001413200000000, -0.0001588500000000, -0.0001180300000000 ] - [ 0.1944845100000000, 0.0586389000000000, 0.0741234700000000 ] - [ 0.0071495000000000, -0.0038891300000000, 0.0001792300000000 ] - [ 0.0016645200000000, 0.0006796900000000, -0.0057023500000000 ] - [ -0.0001478100000000, -0.0001238200000000, 0.0000229000000000 ] - [ -0.0015547900000000, -0.0006079600000000, -0.0010227600000000 ] - [ 0.0023623800000000, -0.0052832300000000, -0.0110565200000000 ] - [ -0.0085725900000000, -0.0070781500000000, 0.0037302900000000 ] - [ 0.0031987600000000, 0.0022866800000000, -0.0020805900000000 ] - [ -0.0033233300000000, 0.0035253300000000, 0.0003637300000000 ] - [ 0.0042925300000000, 0.0016131700000000, 0.0008665400000000 ] - [ -0.0000789300000000, 0.0004860200000000, 0.0005187600000000 ] - [ 0.0059857900000000, 0.0014747500000000, -0.0030047500000000 ] - [ -0.0007813300000000, 0.0001340700000000, -0.0008527200000000 ] - [ -0.0009366900000000, -0.0007329700000000, 0.0005019200000000 ] - [ -0.0023047200000000, -0.0000650400000000, 0.0008578000000000 ] - [ -0.0028615700000000, 0.0009318100000000, 0.0004782800000000 ] - [ 0.0033226200000000, -0.0010660400000000, -0.0015619200000000 ] - [ -0.0001807500000000, -0.0000190600000000, 0.0001069600000000 ] - [ -0.0000679300000000, 0.0000524200000000, -0.0005631000000000 ] - [ 0.0029287200000000, -0.0010783000000000, -0.0000911100000000 ] - [ 0.0003006400000000, 0.0005664900000000, 0.0004118600000000 ] - [ 0.0006271500000000, 0.0007632100000000, -0.0015624600000000 ] - [ 0.0019743500000000, 0.0002251200000000, -0.0015003200000000 ] - [ -0.0029547100000000, -0.0019438400000000, -0.0001058500000000 ] - [ -0.0014623400000000, -0.0030444600000000, -0.0047200200000000 ] - [ -0.0011001300000000, 0.0000270800000000, -0.0003155100000000 ] - [ -0.0012347000000000, -0.0009827800000000, 0.0000239900000000 ] - [ -0.0007177300000000, -0.0001331200000000, -0.0000539000000000 ] - [ -0.0007784500000000, 0.0000970800000000, 0.0005600600000000 ] - [ -0.0010021000000000, 0.0008579700000000, 0.0005639700000000 ] - [ -0.0013552800000000, -0.0000632600000000, -0.0007025900000000 ] - [ -0.0011376100000000, 0.0003796500000000, 0.0002846600000000 ] - [ -0.0005930300000000, 0.0002206900000000, -0.0000583900000000 ] - [ -0.0005581500000000, 0.0002610800000000, 0.0000736500000000 ] - [ -0.0016549500000000, 0.0005076400000000, 0.0001017300000000 ] - [ -0.0010720900000000, -0.0004413300000000, -0.0009369700000000 ] - [ -0.0018445500000000, -0.0004981100000000, -0.0000391500000000 ] - [ -0.0001614100000000, -0.0006238800000000, 0.0010514500000000 ] - [ -0.0004082800000000, 0.0010611300000000, -0.0002032300000000 ] - [ -0.0005462200000000, 0.0000283000000000, -0.0001563800000000 ] - [ -0.0004658900000000, 0.0000138500000000, -0.0001587100000000 ] - [ -0.0005795500000000, -0.0005267100000000, -0.0000062900000000 ] - [ -0.0009290700000000, -0.0008046700000000, 0.0005465500000000 ] - [ -0.0004582000000000, 0.0005349800000000, 0.0000814600000000 ] - [ -0.0014470400000000, -0.0000335200000000, -0.0004054000000000 ] - [ -0.0012949300000000, 0.0000235000000000, -0.0003281700000000 ] - [ -0.0010860700000000, 0.0000873000000000, -0.0007252200000000 ] - [ -0.0013333300000000, 0.0003914500000000, -0.0001975200000000 ] - [ -0.0009943900000000, -0.0000289800000000, -0.0006526800000000 ] - [ -0.0005934900000000, 0.0005428800000000, -0.0000131700000000 ] - [ -0.0005380800000000, -0.0000318900000000, -0.0000978000000000 ] - [ -0.0001499100000000, -0.0000976700000000, 0.0003978000000000 ] - [ -0.0007280000000000, -0.0007968300000000, 0.0005458200000000 ] - [ -0.0006344400000000, 0.0002362400000000, -0.0002805400000000 ] - [ -0.0011544100000000, -0.0000753500000000, -0.0007408500000000 ] - [ -0.0011154000000000, -0.0003836100000000, 0.0003025100000000 ] - [ -0.0013009300000000, 0.0010256600000000, 0.0001042000000000 ] - [ -0.0006242300000000, -0.0002330800000000, -0.0002960000000000 ] - [ -0.0010511300000000, -0.0000471900000000, 0.0005621000000000 ] - [ -0.0009339800000000, -0.0006526900000000, 0.0003426100000000 ] - [ -0.0009761000000000, 0.0000611500000000, -0.0007888300000000 ] - [ -0.0006928800000000, -0.0004219100000000, -0.0000523400000000 ] - [ -0.0005774500000000, -0.0006041400000000, 0.0000382500000000 ] - [ -0.0013772600000000, 0.0001518500000000, 0.0006544800000000 ] - [ -0.0009141300000000, 0.0006440400000000, 0.0003301600000000 ] - [ -0.0013789300000000, 0.0000527300000000, -0.0006120300000000 ] - [ -0.0004672700000000, 0.0003263100000000, -0.0001053200000000 ] - [ -0.0009569700000000, 0.0000225900000000, -0.0006497700000000 ] - [ -0.0007073200000000, 0.0008617800000000, 0.0003877100000000 ] - [ -0.0006797000000000, 0.0001227700000000, -0.0000487900000000 ] - [ -0.0005862200000000, -0.0002297100000000, -0.0000798500000000 ] - [ -0.0014125200000000, -0.0004323100000000, -0.0000783600000000 ] - [ -0.0007940800000000, -0.0000821100000000, 0.0006616600000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003626300000000, 0.0000551700000000, -0.0003585400000000 ] - [ -0.0004889600000000, -0.0002817700000000, 0.0001261000000000 ] - [ 0.0001157900000000, -0.0000973500000000, -0.0001878200000000 ] - [ -0.0005192800000000, 0.0002709500000000, 0.0001799100000000 ] - [ -0.0002067000000000, 0.0001207000000000, -0.0002897900000000 ] - [ -0.0004737300000000, -0.0002658600000000, 0.0001855100000000 ] - [ -0.0002387000000000, -0.0001222400000000, -0.0003161800000000 ] - [ -0.0005395900000000, 0.0002760300000000, 0.0000928300000000 ] - [ 0.0014556300000000, 0.0004392200000000, -0.0004524800000000 ] - [ -0.0040742700000000, 0.0057133300000000, -0.0011275500000000 ] - [ -0.0008461700000000, 0.0003016100000000, 0.0000957300000000 ] - [ -0.0007539600000000, -0.0002866300000000, 0.0001025300000000 ] - [ -0.0005493600000000, 0.0001017900000000, -0.0003828000000000 ] - [ -0.0005758900000000, -0.0001025000000000, -0.0003548700000000 ] - [ -0.0006967600000000, 0.0001934100000000, 0.0008666200000000 ] - [ -0.0008618000000000, -0.0004325300000000, -0.0005523800000000 ] - [ -0.0005215800000000, -0.0000516700000000, -0.0000542300000000 ] - [ 0.0001362700000000, -0.0007720200000000, 0.0003308500000000 ] - [ 0.0001282400000000, 0.0007658500000000, 0.0003702400000000 ] - [ 0.0008881700000000, 0.0011977100000000, -0.0002396400000000 ] - [ -0.0007049500000000, -0.0002400700000000, -0.0007646500000000 ] - [ -0.0006274200000000, -0.0091016000000000, -0.0068938500000000 ] - [ -0.0013833400000000, -0.0005668200000000, -0.0020907500000000 ] - [ -0.0027292600000000, -0.0003715500000000, 0.0022061100000000 ] - [ -0.0002633500000000, 0.0001521000000000, -0.0004531300000000 ] - [ 0.0773787200000000, 0.0692822500000000, 0.0383878300000000 ] - [ 0.0013339300000000, 0.0003701000000000, 0.0010175300000000 ] - [ 0.0008062300000000, -0.0007337600000000, -0.0052657700000000 ] - [ -0.0008235100000000, -0.0066116500000000, 0.0032078100000000 ] - [ 0.0028793200000000, -0.0000993800000000, -0.0032937400000000 ] - [ -0.0004943200000000, 0.0000729100000000, -0.0001277200000000 ] - [ 0.0028374300000000, 0.0005878000000000, -0.0038586300000000 ] - [ -0.0007208200000000, -0.0000993100000000, -0.0000740000000000 ] - [ 0.0007234100000000, -0.0007442500000000, 0.0007028600000000 ] - [ -0.0004864400000000, 0.0008409000000000, -0.0001243600000000 ] - [ -0.0008456100000000, 0.0004398000000000, 0.0008153000000000 ] - [ -0.0004694500000000, -0.0001260500000000, -0.0000377800000000 ] - [ -0.0005043100000000, 0.0001586000000000, -0.0002306000000000 ] - [ -0.0003217500000000, -0.0002305600000000, -0.0001907900000000 ] - [ -0.0008616500000000, -0.0004324100000000, 0.0008211700000000 ] - [ -0.0003920400000000, 0.0001398100000000, -0.0002165100000000 ] - [ -0.0002307700000000, -0.0002348900000000, 0.0002824000000000 ] - [ -0.0005419300000000, 0.0003615700000000, 0.0000908300000000 ] - [ -0.0005375800000000, -0.0003644400000000, 0.0000976000000000 ] - [ -0.0003511600000000, 0.0002336700000000, -0.0002013200000000 ] - [ -0.0002238900000000, 0.0002348900000000, 0.0002796800000000 ] - [ -0.0003326200000000, 0.0000729400000000, -0.0001093900000000 ] - [ -0.0005015500000000, -0.0001591100000000, -0.0002417600000000 ] - [ -0.0003112600000000, 0.0001811100000000, -0.0003469500000000 ] - [ -0.0001427600000000, -0.0002993600000000, -0.0002669100000000 ] - [ -0.0014598900000000, 0.0048850600000000, 0.0020281300000000 ] - [ -0.0007392200000000, 0.0001953600000000, 0.0001439200000000 ] - [ -0.0060194500000000, -0.0103091800000000, -0.0055418300000000 ] - [ -0.0001820100000000, 0.0000377300000000, -0.0004108600000000 ] - [ -0.0023717400000000, 0.0023652500000000, -0.0018264000000000 ] - [ -0.0083757400000000, -0.0096141400000000, -0.0008083500000000 ] - [ 0.0004371100000000, -0.0000212900000000, 0.0001183500000000 ] - [ 0.0005674000000000, -0.0002403800000000, 0.0017421600000000 ] - [ 0.0002018900000000, 0.0001335600000000, -0.0004883100000000 ] - [ -0.0013581900000000, -0.0005876000000000, -0.0002648600000000 ] - [ 0.0005354900000000, -0.0005825700000000, 0.0004316300000000 ] - [ 0.0005203900000000, 0.0006043400000000, 0.0003971300000000 ] - [ 0.0014658500000000, 0.0002584300000000, -0.0020911200000000 ] - [ 0.0002007300000000, -0.0001385400000000, -0.0004625700000000 ] - [ 0.0024186900000000, 0.0033579600000000, 0.0046882100000000 ] - [ -0.0014934300000000, -0.0009822600000000, 0.0017498800000000 ] - [ -0.0000877500000000, 0.0005872300000000, 0.0003847700000000 ] - [ 0.0006819600000000, -0.0000246300000000, 0.0002761500000000 ] - [ -0.0002874600000000, -0.0002021300000000, -0.0003858700000000 ] - [ 0.0009910600000000, 0.0005160900000000, 0.0004236000000000 ] - [ -0.0003041600000000, -0.0000343900000000, -0.0001435200000000 ] - [ -0.0609949600000000, -0.0742129100000000, -0.0321909400000000 ] - [ -0.0030301400000000, 0.0026625300000000, 0.0012683300000000 ] - [ 0.0001711800000000, 0.0000127600000000, -0.0004256100000000 ] - [ 0.0004157800000000, 0.0000175500000000, 0.0001486100000000 ] - [ 0.0006892100000000, -0.0000226600000000, 0.0002181100000000 ] - [ 0.0015748600000000, 0.0013350000000000, 0.0024917700000000 ] - [ 0.0037671100000000, 0.0015261400000000, -0.0013788100000000 ] - [ -0.0015046600000000, -0.0007863200000000, 0.0013124500000000 ] - [ -0.0000213600000000, 0.0004059300000000, -0.0002266600000000 ] - [ -0.0012058400000000, -0.0006286700000000, 0.0001209900000000 ] - [ -0.0003521800000000, 0.0001994000000000, 0.0010362000000000 ] - [ 0.0020355700000000, 0.0156712800000000, -0.0027089300000000 ] - [ -0.0002196500000000, -0.0000568400000000, -0.0003907200000000 ] - [ 0.0003868200000000, 0.0000698100000000, -0.0003561700000000 ] - [ 0.0005642000000000, 0.0001014300000000, -0.0005424600000000 ] - [ 0.0008442900000000, -0.0007667800000000, 0.0006303000000000 ] - [ -0.0013794500000000, 0.0008847100000000, 0.0013878500000000 ] - [ 0.0004983000000000, 0.0000149400000000, 0.0000894400000000 ] - [ 0.0004041400000000, -0.0000434400000000, -0.0002925500000000 ] - [ -0.0005793800000000, -0.0000826200000000, 0.0001777200000000 ] - [ -0.0002641600000000, 0.0004765700000000, 0.0006685900000000 ] - [ -0.0000910800000000, -0.0000404200000000, 0.0005804900000000 ] - [ -0.0013862600000000, -0.0004429300000000, 0.0025099600000000 ] - [ -0.0004411200000000, -0.0004146500000000, -0.0001953100000000 ] - [ 0.0019117400000000, 0.0042563800000000, 0.0058166000000000 ] - [ -0.0003604000000000, 0.0001717400000000, -0.0003445100000000 ] - [ 0.0000180700000000, -0.0003050200000000, -0.0002116700000000 ] - [ 0.0000088200000000, -0.0001125500000000, -0.0000129500000000 ] - [ -0.0000669700000000, -0.0002066100000000, 0.0005634800000000 ] - [ 0.0004856700000000, 0.0000284000000000, 0.0000973000000000 ] - [ -0.0001213800000000, 0.0000426200000000, -0.0004712900000000 ] - [ 0.0002981300000000, -0.0004093500000000, -0.0001733300000000 ] - [ 0.0000986800000000, 0.0000100500000000, -0.0001850600000000 ] - [ 0.0005554000000000, -0.0000652800000000, 0.0000671200000000 ] - [ -0.0001550600000000, 0.0000892100000000, 0.0004479600000000 ] - [ 0.0003889800000000, 0.0002364600000000, -0.0003237000000000 ] - [ -0.0001445200000000, -0.0000894600000000, 0.0004545700000000 ] - [ 0.0004269600000000, -0.0006860700000000, 0.0001995700000000 ] - [ 0.0006046000000000, 0.0005006100000000, 0.0006493800000000 ] - [ 0.0002151300000000, 0.0000484300000000, -0.0002335200000000 ] - [ -0.0000167000000000, -0.0000608800000000, -0.0005909300000000 ] - [ 0.0003994300000000, -0.0000715900000000, 0.0000058900000000 ] - [ 0.0004805200000000, -0.0000316000000000, 0.0000994500000000 ] - [ 0.0003289200000000, 0.0003513800000000, -0.0000930000000000 ] - [ 0.0005502400000000, -0.0000210000000000, 0.0000163700000000 ] - [ -0.0002624200000000, -0.0001816100000000, -0.0003662500000000 ] - [ 0.0005239800000000, 0.0001583600000000, -0.0002347000000000 ] - [ -0.0000261400000000, -0.0001432800000000, -0.0002897400000000 ] - [ 0.0005231300000000, 0.0004438800000000, -0.0001871300000000 ] - [ 0.0004044100000000, 0.0000661100000000, 0.0000132900000000 ] - [ 0.0002071900000000, -0.0000460700000000, -0.0002521300000000 ] - [ 0.0002952700000000, 0.0000037900000000, 0.0002053200000000 ] - [ 0.0002660500000000, -0.0004097000000000, 0.0003241600000000 ] - [ 0.0006039800000000, -0.0001893600000000, -0.0001962200000000 ] - [ 0.0005407100000000, -0.0001641300000000, -0.0002368000000000 ] - [ 0.0002969600000000, 0.0004097000000000, -0.0001732700000000 ] - [ 0.0000271400000000, 0.0002969100000000, -0.0002500300000000 ] - [ 0.0006042200000000, 0.0001896500000000, -0.0001891300000000 ] - [ 0.0001294500000000, 0.0004858700000000, 0.0008151700000000 ] - [ 0.0000297700000000, -0.0003984700000000, 0.0000730000000000 ] - [ -0.0002579200000000, -0.0000724000000000, -0.0003424800000000 ] - [ 0.0004920500000000, 0.0000805100000000, -0.0003413000000000 ] - [ 0.0003361000000000, -0.0003466600000000, -0.0000922700000000 ] - [ 0.0001461600000000, -0.0004909800000000, 0.0008080300000000 ] - [ 0.0000238300000000, 0.0004023900000000, 0.0000804400000000 ] - [ 0.0006180600000000, 0.0000174700000000, 0.0001382900000000 ] - [ 0.0003755100000000, -0.0000385500000000, -0.0002965900000000 ] - [ 0.0005169800000000, -0.0004433200000000, -0.0001853100000000 ] - [ 0.0002657700000000, 0.0004054400000000, 0.0003337600000000 ] - [ -0.0000074700000000, 0.0001171800000000, -0.0000110200000000 ] - [ 0.0000975900000000, -0.0000094300000000, -0.0001846400000000 ] - [ -0.0000054500000000, 0.0001542000000000, -0.0003462400000000 ] - [ -0.0000659400000000, 0.0002065000000000, 0.0005586600000000 ]- atom: 72 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003376700000000, 0.0001824200000000, -0.0002404100000000 ] - [ -0.0001957500000000, -0.0002366000000000, 0.0002052800000000 ] - [ -0.0001475700000000, -0.0001378100000000, -0.0004079400000000 ] - [ -0.0001637600000000, 0.0002469900000000, 0.0001529500000000 ] - [ 0.0001786200000000, 0.0001162400000000, -0.0003078700000000 ] - [ -0.0002107000000000, -0.0002525200000000, 0.0001464700000000 ] - [ 0.0002110500000000, -0.0001148500000000, -0.0002812500000000 ] - [ -0.0001443300000000, 0.0002421200000000, 0.0002401400000000 ] - [ -0.0012481000000000, -0.0001396800000000, -0.0002482700000000 ] - [ 0.0041562600000000, -0.0060568200000000, 0.0003451400000000 ] - [ 0.0006653600000000, 0.0002080100000000, 0.0001041500000000 ] - [ 0.0005757900000000, -0.0002220600000000, 0.0000976500000000 ] - [ 0.0007754600000000, 0.0002025300000000, -0.0003171800000000 ] - [ 0.0008023200000000, -0.0002012900000000, -0.0003453900000000 ] - [ 0.0005180900000000, 0.0003177600000000, -0.0006747500000000 ] - [ 0.0006816400000000, -0.0000752900000000, 0.0007589700000000 ] - [ 0.0005017000000000, -0.0000485200000000, -0.0000408600000000 ] - [ 0.0011283600000000, -0.0008442800000000, 0.0004967200000000 ] - [ 0.0011361400000000, 0.0008507000000000, 0.0004586400000000 ] - [ -0.0014725500000000, -0.0000537700000000, 0.0019155300000000 ] - [ 0.0015344800000000, 0.0001915500000000, 0.0004402400000000 ] - [ 0.0007603800000000, 0.0093441200000000, 0.0065196400000000 ] - [ 0.0018169100000000, 0.0004162300000000, 0.0019128800000000 ] - [ 0.0021879500000000, -0.0008123400000000, -0.0005459100000000 ] - [ 0.0011035400000000, -0.0001035300000000, 0.0001257800000000 ] - [ -0.0749621900000000, -0.0695812400000000, -0.0371360100000000 ] - [ -0.0012785700000000, 0.0003266200000000, -0.0010826400000000 ] - [ -0.0007451600000000, 0.0000376700000000, 0.0052675500000000 ] - [ 0.0012293300000000, 0.0067573700000000, -0.0033684500000000 ] - [ -0.0022089200000000, 0.0005390500000000, 0.0037128000000000 ] - [ 0.0004763400000000, 0.0000276500000000, 0.0000302900000000 ] - [ -0.0027569500000000, -0.0007381900000000, 0.0034310300000000 ] - [ 0.0007041000000000, -0.0000008200000000, -0.0000219200000000 ] - [ 0.0005343100000000, -0.0008725900000000, 0.0001192200000000 ] - [ 0.0017560100000000, 0.0007762400000000, 0.0009589200000000 ] - [ 0.0002809500000000, 0.0007116000000000, 0.0008507800000000 ] - [ 0.0013061100000000, 0.0000770300000000, -0.0002944100000000 ] - [ 0.0006180400000000, 0.0000091500000000, -0.0002366000000000 ] - [ 0.0007260900000000, 0.0000718000000000, -0.0000098500000000 ] - [ 0.0002962800000000, -0.0007182600000000, 0.0008450900000000 ] - [ 0.0012274200000000, -0.0000903700000000, -0.0001139300000000 ] - [ 0.0009318300000000, -0.0002036400000000, 0.0000948000000000 ] - [ 0.0006159500000000, 0.0003310200000000, -0.0001363100000000 ] - [ 0.0006118300000000, -0.0003277900000000, -0.0001425400000000 ] - [ 0.0007561800000000, -0.0000747700000000, 0.0000011400000000 ] - [ 0.0009249800000000, 0.0002040800000000, 0.0000971700000000 ] - [ 0.0003116600000000, 0.0000279300000000, 0.0000128300000000 ] - [ 0.0006155200000000, -0.0000083300000000, -0.0002253800000000 ] - [ -0.0007347600000000, 0.0000881800000000, -0.0003451200000000 ] - [ -0.0004296500000000, -0.0006408200000000, -0.0000530100000000 ] - [ 0.0010871000000000, -0.0051570300000000, -0.0020891900000000 ] - [ 0.0002709800000000, -0.0004724000000000, 0.0010079000000000 ] - [ 0.0062502900000000, 0.0107113900000000, 0.0058532400000000 ] - [ -0.0006625000000000, 0.0000163000000000, -0.0005649400000000 ] - [ 0.0023110800000000, -0.0028338200000000, 0.0017198700000000 ] - [ 0.0081400700000000, 0.0096632900000000, 0.0005202000000000 ] - [ 0.0000396800000000, 0.0000705700000000, 0.0002195800000000 ] - [ -0.0016294300000000, 0.0006217300000000, -0.0010449600000000 ] - [ -0.0002989100000000, -0.0000176600000000, -0.0004846500000000 ] - [ 0.0003108100000000, 0.0002178600000000, 0.0009780700000000 ] - [ 0.0001278200000000, -0.0007218000000000, 0.0003803200000000 ] - [ 0.0001426500000000, 0.0007011000000000, 0.0004137200000000 ] - [ -0.0014394500000000, -0.0001702400000000, 0.0016990100000000 ] - [ -0.0002976100000000, 0.0000229400000000, -0.0005093900000000 ] - [ -0.0021267500000000, -0.0037916700000000, -0.0047730100000000 ] - [ 0.0017894500000000, 0.0005515900000000, -0.0013526500000000 ] - [ 0.0003525300000000, 0.0002133000000000, -0.0005016600000000 ] - [ -0.0004716400000000, -0.0000223400000000, -0.0003998600000000 ] - [ -0.0007579900000000, -0.0000666100000000, -0.0003088500000000 ] - [ -0.0007252600000000, -0.0002361700000000, -0.0011415800000000 ] - [ -0.0003734400000000, 0.0000051800000000, -0.0004080800000000 ] - [ 0.0600046700000000, 0.0748332300000000, 0.0309490000000000 ] - [ 0.0033997700000000, -0.0023337100000000, -0.0012586700000000 ] - [ -0.0001136600000000, -0.0000986400000000, 0.0000081600000000 ] - [ 0.0000602400000000, -0.0000662600000000, 0.0001904400000000 ] - [ -0.0006313900000000, -0.0009910200000000, 0.0004997100000000 ] - [ -0.0009753900000000, -0.0014609800000000, -0.0029642800000000 ] - [ -0.0035090900000000, -0.0017960600000000, 0.0006780600000000 ] - [ 0.0014365300000000, 0.0012366200000000, -0.0014482800000000 ] - [ -0.0005428100000000, 0.0005228400000000, -0.0000959100000000 ] - [ 0.0018394700000000, 0.0008123700000000, -0.0005599400000000 ] - [ -0.0000118700000000, 0.0005009500000000, 0.0004859500000000 ] - [ -0.0024915300000000, -0.0165358100000000, 0.0028590200000000 ] - [ -0.0006261700000000, 0.0000029200000000, -0.0005844500000000 ] - [ -0.0000025800000000, -0.0001572300000000, -0.0001681700000000 ] - [ -0.0003124000000000, -0.0009004600000000, 0.0004354700000000 ] - [ -0.0012209200000000, 0.0000738300000000, 0.0008939900000000 ] - [ 0.0009961700000000, 0.0000240400000000, -0.0011232500000000 ] - [ -0.0002921100000000, 0.0000331600000000, -0.0002151300000000 ] - [ -0.0000214800000000, 0.0001323200000000, -0.0002305600000000 ] - [ 0.0009144500000000, -0.0005825400000000, -0.0007780700000000 ] - [ 0.0003328000000000, 0.0005397400000000, 0.0000507200000000 ] - [ -0.0002431500000000, 0.0002772600000000, -0.0006293200000000 ] - [ 0.0012721400000000, 0.0003295700000000, -0.0028599300000000 ] - [ -0.0002342200000000, 0.0004483200000000, -0.0003536100000000 ] - [ -0.0023789600000000, -0.0039878200000000, -0.0046889000000000 ] - [ -0.0006846400000000, 0.0000977100000000, -0.0003486000000000 ] - [ -0.0005898500000000, -0.0006332600000000, -0.0001094200000000 ] - [ -0.0003405300000000, -0.0001215900000000, -0.0000292700000000 ] - [ -0.0004090900000000, -0.0000658300000000, 0.0005840800000000 ] - [ -0.0002112800000000, 0.0004144300000000, 0.0003182500000000 ] - [ -0.0007246700000000, 0.0000119600000000, -0.0005035400000000 ] - [ -0.0003817700000000, -0.0000326200000000, 0.0000484900000000 ] - [ -0.0002307800000000, 0.0001132300000000, -0.0001304900000000 ] - [ -0.0000801000000000, 0.0001148500000000, 0.0002708400000000 ] - [ -0.0009061700000000, 0.0002878700000000, 0.0002551900000000 ] - [ -0.0004873300000000, -0.0001214800000000, -0.0006506100000000 ] - [ -0.0009160000000000, -0.0002867200000000, 0.0002491100000000 ] - [ 0.0002369600000000, -0.0006175300000000, 0.0006153200000000 ] - [ 0.0000579200000000, 0.0008054500000000, 0.0001589600000000 ] - [ -0.0001515700000000, 0.0000381500000000, -0.0001978500000000 ] - [ -0.0000774900000000, -0.0000556400000000, -0.0003798100000000 ] - [ -0.0000675900000000, -0.0002873300000000, 0.0000051400000000 ] - [ -0.0002062200000000, -0.0004108200000000, 0.0003163800000000 ] - [ -0.0000692300000000, 0.0004516300000000, -0.0000189300000000 ] - [ -0.0003427500000000, -0.0000261300000000, -0.0001394700000000 ] - [ -0.0007836700000000, -0.0000872000000000, -0.0003272800000000 ] - [ -0.0002465000000000, 0.0001269900000000, -0.0004735600000000 ] - [ -0.0006525400000000, 0.0001142100000000, -0.0002598300000000 ] - [ -0.0001962300000000, 0.0002199900000000, -0.0004068900000000 ] - [ -0.0000729700000000, 0.0002934600000000, -0.0000023600000000 ] - [ -0.0001437800000000, -0.0000398000000000, -0.0001784900000000 ] - [ 0.0001826900000000, -0.0000521500000000, 0.0001329600000000 ] - [ -0.0002036500000000, -0.0006076200000000, 0.0003983800000000 ] - [ 0.0000161900000000, 0.0000123100000000, -0.0002342100000000 ] - [ -0.0002639100000000, -0.0001207300000000, -0.0004714200000000 ] - [ -0.0003802500000000, 0.0000326400000000, 0.0000478500000000 ] - [ -0.0005991300000000, 0.0006419300000000, -0.0000706600000000 ] - [ 0.0000161900000000, -0.0000118100000000, -0.0002414900000000 ] - [ -0.0004997800000000, 0.0002111700000000, 0.0007086300000000 ] - [ -0.0004297100000000, -0.0005197200000000, 0.0002034300000000 ] - [ -0.0005865400000000, 0.0000187200000000, -0.0006332100000000 ] - [ -0.0001089700000000, -0.0001686600000000, -0.0001819400000000 ] - [ -0.0000762300000000, -0.0004558500000000, -0.0000194700000000 ] - [ -0.0005158700000000, -0.0002058300000000, 0.0007152500000000 ] - [ -0.0004239500000000, 0.0005161700000000, 0.0001957900000000 ] - [ -0.0004101200000000, 0.0000307600000000, -0.0002631700000000 ] - [ 0.0000086000000000, 0.0001266500000000, -0.0002274300000000 ] - [ -0.0001898700000000, -0.0002202000000000, -0.0004082500000000 ] - [ -0.0002034100000000, 0.0006121600000000, 0.0003889000000000 ] - [ -0.0003247400000000, 0.0001178800000000, -0.0000314500000000 ] - [ -0.0002296800000000, -0.0001132500000000, -0.0001305500000000 ] - [ -0.0006735900000000, -0.0001248700000000, -0.0002027300000000 ] - [ -0.0004100600000000, 0.0000662600000000, 0.0005884600000000 ]- atom: 72 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0011521900000000, -0.0000313700000000, -0.0006999200000000 ] - [ -0.0007247400000000, -0.0002751200000000, 0.0000921400000000 ] - [ 0.0008146600000000, -0.0001001500000000, -0.0003777300000000 ] - [ -0.0002796500000000, 0.0002511300000000, 0.0001165900000000 ] - [ -0.0001915500000000, 0.0001202800000000, -0.0002899800000000 ] - [ -0.0004473200000000, -0.0002636100000000, 0.0001946900000000 ] - [ -0.0002322500000000, -0.0001224900000000, -0.0003162100000000 ] - [ -0.0005503800000000, 0.0002778800000000, 0.0000848100000000 ] - [ 0.0021940100000000, 0.0000034900000000, -0.0040481800000000 ] - [ -0.0034720700000000, 0.0008959500000000, 0.0083811700000000 ] - [ -0.0009111200000000, 0.0003358600000000, 0.0001736100000000 ] - [ -0.0006405200000000, -0.0002619900000000, 0.0000228800000000 ] - [ -0.0005197500000000, 0.0001039900000000, -0.0003844300000000 ] - [ -0.0005366800000000, -0.0001059600000000, -0.0003490800000000 ] - [ -0.0003781700000000, 0.0000136600000000, 0.0011299300000000 ] - [ -0.0011095200000000, -0.0005609500000000, -0.0008404500000000 ] - [ -0.0002598900000000, -0.0000610600000000, 0.0001785400000000 ] - [ 0.0000970900000000, -0.0007625500000000, 0.0002994300000000 ] - [ 0.0002244200000000, 0.0007793300000000, 0.0004021900000000 ] - [ 0.0010632700000000, 0.0012545100000000, -0.0013947200000000 ] - [ -0.0003329400000000, -0.0000207400000000, 0.0024499000000000 ] - [ 0.0049849500000000, -0.0107487400000000, -0.0058488500000000 ] - [ -0.0023460500000000, -0.0007677200000000, -0.0068349900000000 ] - [ -0.0026327800000000, 0.0004019300000000, 0.0031136700000000 ] - [ -0.0002736200000000, 0.0003364800000000, -0.0013758600000000 ] - [ 0.0607546300000000, 0.0330979800000000, 0.0592632700000000 ] - [ 0.0038520800000000, -0.0005630000000000, -0.0003246200000000 ] - [ -0.0015433400000000, 0.0015435300000000, -0.0045171400000000 ] - [ 0.0044440600000000, -0.0018892400000000, 0.0066888800000000 ] - [ 0.0028544400000000, 0.0003155300000000, -0.0067701300000000 ] - [ -0.0006556300000000, 0.0000420100000000, -0.0003138200000000 ] - [ 0.0051403100000000, -0.0020686000000000, -0.0089638000000000 ] - [ -0.0007283300000000, -0.0000930000000000, -0.0000000600000000 ] - [ 0.0009754400000000, -0.0006746100000000, 0.0006078000000000 ] - [ -0.0007207500000000, 0.0008791600000000, 0.0000461400000000 ] - [ -0.0008148200000000, 0.0004428300000000, 0.0007865700000000 ] - [ -0.0004099900000000, -0.0001168600000000, -0.0000031600000000 ] - [ -0.0004786800000000, 0.0001558300000000, -0.0002280100000000 ] - [ -0.0002951700000000, -0.0002246700000000, -0.0001916000000000 ] - [ -0.0008306600000000, -0.0004443300000000, 0.0008510000000000 ] - [ -0.0003612400000000, 0.0001383300000000, -0.0002573100000000 ] - [ -0.0002001800000000, -0.0002333600000000, 0.0002837600000000 ] - [ -0.0005264000000000, 0.0003573700000000, 0.0000853700000000 ] - [ -0.0004932200000000, -0.0003625800000000, 0.0000889500000000 ] - [ -0.0003247900000000, 0.0002239900000000, -0.0001916200000000 ] - [ -0.0001977200000000, 0.0002347500000000, 0.0002689600000000 ] - [ -0.0002600400000000, 0.0000714800000000, -0.0001709000000000 ] - [ -0.0004725000000000, -0.0001552800000000, -0.0002427800000000 ] - [ -0.0001195400000000, 0.0002022200000000, -0.0001647900000000 ] - [ -0.0005759600000000, -0.0007171900000000, 0.0003454600000000 ] - [ -0.0033620600000000, -0.0003645200000000, -0.0031992700000000 ] - [ -0.0010109000000000, 0.0001505800000000, 0.0007841400000000 ] - [ -0.0023975400000000, -0.0050377200000000, -0.0090303800000000 ] - [ -0.0001359000000000, -0.0000498900000000, -0.0006735400000000 ] - [ -0.0050366800000000, 0.0034339400000000, -0.0014644300000000 ] - [ 0.0106289900000000, 0.0034182500000000, 0.0112636200000000 ] - [ 0.0004017400000000, 0.0000057800000000, 0.0000740900000000 ] - [ 0.0013469200000000, -0.0010485100000000, 0.0018095600000000 ] - [ 0.0001341700000000, 0.0001132000000000, -0.0004762300000000 ] - [ -0.0022996600000000, -0.0007720500000000, -0.0004836100000000 ] - [ 0.0005446100000000, -0.0005899800000000, 0.0004331400000000 ] - [ 0.0004810400000000, 0.0006132700000000, 0.0003993700000000 ] - [ -0.0014308100000000, 0.0002414800000000, 0.0003721900000000 ] - [ 0.0002388000000000, -0.0001476100000000, -0.0004618400000000 ] - [ 0.0027124000000000, 0.0045400100000000, 0.0075242100000000 ] - [ -0.0017657500000000, -0.0013587100000000, 0.0027154300000000 ] - [ -0.0001630600000000, 0.0007439500000000, 0.0007130100000000 ] - [ 0.0010565900000000, -0.0000518500000000, -0.0001882300000000 ] - [ -0.0005676200000000, -0.0001489100000000, -0.0005305800000000 ] - [ 0.0018561000000000, 0.0011176300000000, 0.0017639500000000 ] - [ -0.0006414700000000, 0.0002566400000000, 0.0003667700000000 ] - [ -0.0740236200000000, -0.0306079900000000, -0.0740021000000000 ] - [ -0.0004934000000000, 0.0010031800000000, 0.0024833400000000 ] - [ 0.0003812300000000, -0.0004660000000000, 0.0017579200000000 ] - [ 0.0004221600000000, 0.0000328700000000, 0.0001932300000000 ] - [ 0.0008805300000000, -0.0003395300000000, -0.0006013900000000 ] - [ 0.0044840300000000, 0.0046942100000000, 0.0086981100000000 ] - [ -0.0019534700000000, 0.0009892700000000, -0.0042049400000000 ] - [ -0.0008445300000000, -0.0001871100000000, 0.0014161500000000 ] - [ 0.0013811800000000, -0.0012247800000000, -0.0012195700000000 ] - [ -0.0014899000000000, -0.0006332600000000, 0.0013908300000000 ] - [ -0.0004050900000000, 0.0001739700000000, 0.0012338900000000 ] - [ 0.0007650700000000, -0.0032684800000000, -0.0023300900000000 ] - [ -0.0002645000000000, -0.0001344100000000, -0.0002209600000000 ] - [ 0.0002623900000000, 0.0001215000000000, -0.0005571100000000 ] - [ 0.0008252800000000, 0.0000353600000000, -0.0007528300000000 ] - [ 0.0007379400000000, -0.0008293300000000, 0.0004369700000000 ] - [ -0.0027366900000000, 0.0023590600000000, 0.0030795400000000 ] - [ 0.0002979800000000, -0.0000123400000000, 0.0001847900000000 ] - [ 0.0004607300000000, 0.0000283200000000, -0.0001052300000000 ] - [ 0.0000060200000000, -0.0008213400000000, 0.0019123700000000 ] - [ -0.0004571400000000, 0.0004780000000000, 0.0012819600000000 ] - [ 0.0001444200000000, -0.0006749800000000, 0.0021415800000000 ] - [ -0.0019395100000000, -0.0001757200000000, 0.0043317600000000 ] - [ 0.0013261300000000, 0.0012732800000000, -0.0012183700000000 ] - [ 0.0012030600000000, 0.0023406800000000, 0.0030112600000000 ] - [ -0.0003842500000000, 0.0001743000000000, -0.0003299700000000 ] - [ 0.0000085600000000, -0.0003115600000000, -0.0002036700000000 ] - [ 0.0000012500000000, -0.0001119200000000, -0.0000155900000000 ] - [ -0.0000729300000000, -0.0002044100000000, 0.0005682800000000 ] - [ 0.0004671600000000, 0.0000387800000000, 0.0000994400000000 ] - [ -0.0001467900000000, 0.0000208300000000, -0.0005207300000000 ] - [ 0.0002854700000000, -0.0004023100000000, -0.0001717600000000 ] - [ 0.0000886100000000, 0.0000140400000000, -0.0001859600000000 ] - [ 0.0006154900000000, -0.0000325800000000, -0.0000584100000000 ] - [ -0.0001937700000000, 0.0000951300000000, 0.0004441600000000 ] - [ 0.0004949400000000, 0.0002173100000000, -0.0003757300000000 ] - [ -0.0001411800000000, -0.0000934200000000, 0.0004510400000000 ] - [ 0.0003836400000000, -0.0006753500000000, 0.0001709800000000 ] - [ 0.0006304800000000, 0.0005094400000000, 0.0006636200000000 ] - [ 0.0002088600000000, 0.0000482100000000, -0.0002365200000000 ] - [ -0.0001383900000000, -0.0000708500000000, -0.0005645200000000 ] - [ 0.0003875300000000, -0.0000776100000000, 0.0000057100000000 ] - [ 0.0004638000000000, -0.0000401400000000, 0.0001073500000000 ] - [ 0.0003062900000000, 0.0003649200000000, -0.0000743700000000 ] - [ 0.0004788900000000, -0.0000177700000000, -0.0000107500000000 ] - [ -0.0002629100000000, -0.0001701000000000, -0.0003814200000000 ] - [ 0.0005086500000000, 0.0001581500000000, -0.0002357300000000 ] - [ -0.0000387200000000, -0.0001373900000000, -0.0002808400000000 ] - [ 0.0005031000000000, 0.0004365900000000, -0.0001947900000000 ] - [ 0.0003911500000000, 0.0000727300000000, 0.0000116500000000 ] - [ 0.0001962500000000, -0.0000459500000000, -0.0002503300000000 ] - [ 0.0002272500000000, 0.0000138800000000, 0.0003330000000000 ] - [ 0.0002408300000000, -0.0004294100000000, 0.0003092800000000 ] - [ 0.0005891000000000, -0.0001848300000000, -0.0001980600000000 ] - [ 0.0005163600000000, -0.0001650700000000, -0.0002469800000000 ] - [ 0.0002735500000000, 0.0003961700000000, -0.0001638400000000 ] - [ 0.0000021700000000, 0.0003107800000000, -0.0002496900000000 ] - [ 0.0005902200000000, 0.0001847300000000, -0.0001909200000000 ] - [ 0.0001170900000000, 0.0004776300000000, 0.0008348900000000 ] - [ 0.0000185200000000, -0.0004013500000000, 0.0000749600000000 ] - [ -0.0002630300000000, -0.0000884500000000, -0.0002995100000000 ] - [ 0.0004933500000000, 0.0000745100000000, -0.0003507500000000 ] - [ 0.0003372100000000, -0.0003377000000000, -0.0001075100000000 ] - [ 0.0001233100000000, -0.0004857200000000, 0.0007775200000000 ] - [ 0.0000123500000000, 0.0004047700000000, 0.0000851900000000 ] - [ 0.0006387100000000, 0.0000192100000000, 0.0001523300000000 ] - [ 0.0003477400000000, -0.0000302500000000, -0.0002810200000000 ] - [ 0.0005011100000000, -0.0004384400000000, -0.0001886400000000 ] - [ 0.0002655800000000, 0.0003967700000000, 0.0003527900000000 ] - [ -0.0000162800000000, 0.0001157600000000, -0.0000083600000000 ] - [ 0.0000901300000000, -0.0000106300000000, -0.0001805900000000 ] - [ -0.0000278200000000, 0.0001440700000000, -0.0003483000000000 ] - [ -0.0000780100000000, 0.0002007300000000, 0.0005549800000000 ]- atom: 72 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0011253100000000, 0.0002677000000000, 0.0001013100000000 ] - [ 0.0000418500000000, -0.0002436700000000, 0.0002394800000000 ] - [ -0.0008458900000000, -0.0001380600000000, -0.0002185300000000 ] - [ -0.0004050600000000, 0.0002671200000000, 0.0002160800000000 ] - [ 0.0001630300000000, 0.0001164300000000, -0.0003080700000000 ] - [ -0.0002369700000000, -0.0002552500000000, 0.0001366900000000 ] - [ 0.0002041400000000, -0.0001148400000000, -0.0002815700000000 ] - [ -0.0001335000000000, 0.0002402700000000, 0.0002476800000000 ] - [ -0.0019777300000000, 0.0003032400000000, 0.0033682500000000 ] - [ 0.0035350500000000, -0.0011646900000000, -0.0091318300000000 ] - [ 0.0007303500000000, 0.0001733500000000, 0.0000248900000000 ] - [ 0.0004607100000000, -0.0002468600000000, 0.0001763600000000 ] - [ 0.0007425900000000, 0.0002001500000000, -0.0003140900000000 ] - [ 0.0007600900000000, -0.0001982100000000, -0.0003497100000000 ] - [ 0.0001999200000000, 0.0004973300000000, -0.0009400000000000 ] - [ 0.0009256900000000, 0.0000517400000000, 0.0010447500000000 ] - [ 0.0002402200000000, -0.0000399100000000, -0.0002744000000000 ] - [ 0.0011672600000000, -0.0008546100000000, 0.0005289100000000 ] - [ 0.0010390800000000, 0.0008375400000000, 0.0004266300000000 ] - [ -0.0016464400000000, -0.0001071200000000, 0.0030640000000000 ] - [ 0.0011644800000000, -0.0000324200000000, -0.0027959100000000 ] - [ -0.0047614000000000, 0.0109330800000000, 0.0053487300000000 ] - [ 0.0027877600000000, 0.0006254500000000, 0.0066572600000000 ] - [ 0.0020986500000000, -0.0015872100000000, -0.0014511300000000 ] - [ 0.0011140200000000, -0.0002895000000000, 0.0010492100000000 ] - [ -0.0585921700000000, -0.0327723300000000, -0.0586625000000000 ] - [ -0.0038089600000000, 0.0012582200000000, 0.0002693800000000 ] - [ 0.0015909800000000, -0.0021950500000000, 0.0045243500000000 ] - [ -0.0040814800000000, 0.0019998800000000, -0.0068647800000000 ] - [ -0.0021836600000000, 0.0001096600000000, 0.0071790200000000 ] - [ 0.0006388300000000, 0.0000585700000000, 0.0002183400000000 ] - [ -0.0050380300000000, 0.0018902200000000, 0.0085048000000000 ] - [ 0.0007126800000000, -0.0000075500000000, -0.0000943800000000 ] - [ 0.0002818500000000, -0.0009436400000000, 0.0002133300000000 ] - [ 0.0019897500000000, 0.0007394100000000, 0.0007923000000000 ] - [ 0.0002479600000000, 0.0007097700000000, 0.0008775900000000 ] - [ 0.0012467700000000, 0.0000671500000000, -0.0003302200000000 ] - [ 0.0005904400000000, 0.0000136200000000, -0.0002385900000000 ] - [ 0.0006968000000000, 0.0000652000000000, -0.0000098700000000 ] - [ 0.0002634400000000, -0.0007080400000000, 0.0008128000000000 ] - [ 0.0011963400000000, -0.0000887600000000, -0.0000745100000000 ] - [ 0.0008963800000000, -0.0002012300000000, 0.0000932200000000 ] - [ 0.0005995500000000, 0.0003311400000000, -0.0001297900000000 ] - [ 0.0005662600000000, -0.0003261200000000, -0.0001326500000000 ] - [ 0.0007270300000000, -0.0000648200000000, -0.0000094100000000 ] - [ 0.0008941800000000, 0.0002000000000000, 0.0001080700000000 ] - [ 0.0002399000000000, 0.0000294900000000, 0.0000748500000000 ] - [ 0.0005843900000000, -0.0000142300000000, -0.0002237000000000 ] - [ -0.0009278700000000, 0.0000665700000000, -0.0005294800000000 ] - [ 0.0000051100000000, -0.0002205900000000, -0.0006698100000000 ] - [ 0.0030342500000000, 0.0000971200000000, 0.0031428400000000 ] - [ 0.0005415200000000, -0.0004249500000000, 0.0003617800000000 ] - [ 0.0026255600000000, 0.0054218300000000, 0.0094139800000000 ] - [ -0.0007077900000000, 0.0001047700000000, -0.0003008000000000 ] - [ 0.0049972200000000, -0.0039008800000000, 0.0013495600000000 ] - [ -0.0104323800000000, -0.0032862100000000, -0.0113191100000000 ] - [ 0.0000758100000000, 0.0000424100000000, 0.0002661200000000 ] - [ -0.0023999800000000, 0.0014151100000000, -0.0011121700000000 ] - [ -0.0002305500000000, 0.0000013000000000, -0.0004991100000000 ] - [ 0.0012559400000000, 0.0004035700000000, 0.0011976100000000 ] - [ 0.0001190100000000, -0.0007155100000000, 0.0003768900000000 ] - [ 0.0001826500000000, 0.0006926600000000, 0.0004099700000000 ] - [ 0.0014967400000000, -0.0001560800000000, -0.0008095700000000 ] - [ -0.0003356300000000, 0.0000330400000000, -0.0005127800000000 ] - [ -0.0024413600000000, -0.0049751700000000, -0.0076249200000000 ] - [ 0.0020601100000000, 0.0009285000000000, -0.0023155000000000 ] - [ 0.0004267200000000, 0.0000572000000000, -0.0008299400000000 ] - [ -0.0008461100000000, 0.0000050800000000, 0.0000675100000000 ] - [ -0.0004778300000000, -0.0001200600000000, -0.0001637300000000 ] - [ -0.0015947100000000, -0.0008400400000000, -0.0024838900000000 ] - [ -0.0000373400000000, -0.0002862600000000, -0.0009195400000000 ] - [ 0.0727953700000000, 0.0307466800000000, 0.0732258400000000 ] - [ 0.0008549100000000, -0.0006271200000000, -0.0024798000000000 ] - [ -0.0003218400000000, 0.0003786600000000, -0.0021857800000000 ] - [ 0.0000546500000000, -0.0000811300000000, 0.0001473600000000 ] - [ -0.0008230500000000, -0.0006752400000000, 0.0013169200000000 ] - [ -0.0039678700000000, -0.0049435500000000, -0.0092614600000000 ] - [ 0.0022606700000000, -0.0012629400000000, 0.0035110400000000 ] - [ 0.0007710600000000, 0.0006355300000000, -0.0015519200000000 ] - [ -0.0019621800000000, 0.0021765300000000, 0.0009028200000000 ] - [ 0.0021170400000000, 0.0008125800000000, -0.0018240900000000 ] - [ 0.0000413100000000, 0.0005266400000000, 0.0002915600000000 ] - [ -0.0011902200000000, 0.0023203500000000, 0.0026847500000000 ] - [ -0.0005794500000000, 0.0000801800000000, -0.0007550200000000 ] - [ 0.0001229000000000, -0.0002096400000000, 0.0000336900000000 ] - [ -0.0005769800000000, -0.0008353000000000, 0.0006442200000000 ] - [ -0.0011158600000000, 0.0001358500000000, 0.0010887300000000 ] - [ 0.0023415700000000, -0.0014407000000000, -0.0028081400000000 ] - [ -0.0000870000000000, 0.0000604800000000, -0.0003104700000000 ] - [ -0.0000777100000000, 0.0000606500000000, -0.0004193300000000 ] - [ 0.0003282000000000, 0.0001577500000000, -0.0025120100000000 ] - [ 0.0005262400000000, 0.0005356600000000, -0.0005592600000000 ] - [ -0.0004805300000000, 0.0009143000000000, -0.0021908800000000 ] - [ 0.0018195400000000, 0.0000661000000000, -0.0046609400000000 ] - [ -0.0020075100000000, -0.0012465200000000, 0.0006709100000000 ] - [ -0.0016884100000000, -0.0020971000000000, -0.0019153200000000 ] - [ -0.0006617000000000, 0.0000945600000000, -0.0003640700000000 ] - [ -0.0005808300000000, -0.0006279500000000, -0.0001173600000000 ] - [ -0.0003322500000000, -0.0001221500000000, -0.0000260300000000 ] - [ -0.0004032400000000, -0.0000665800000000, 0.0005762900000000 ] - [ -0.0001896100000000, 0.0004015200000000, 0.0003130700000000 ] - [ -0.0006980900000000, 0.0000338600000000, -0.0004543400000000 ] - [ -0.0003701800000000, -0.0000388300000000, 0.0000480700000000 ] - [ -0.0002203100000000, 0.0001075500000000, -0.0001276500000000 ] - [ -0.0001393000000000, 0.0000812900000000, 0.0003972300000000 ] - [ -0.0008669800000000, 0.0002797400000000, 0.0002590900000000 ] - [ -0.0005923300000000, -0.0001043400000000, -0.0006021400000000 ] - [ -0.0009190700000000, -0.0002810000000000, 0.0002526700000000 ] - [ 0.0002806500000000, -0.0006290500000000, 0.0006428900000000 ] - [ 0.0000324700000000, 0.0007975200000000, 0.0001425600000000 ] - [ -0.0001445400000000, 0.0000382200000000, -0.0001978200000000 ] - [ 0.0000444800000000, -0.0000447300000000, -0.0004084000000000 ] - [ -0.0000547500000000, -0.0002830300000000, 0.0000028200000000 ] - [ -0.0001862600000000, -0.0004001900000000, 0.0003053900000000 ] - [ -0.0000474000000000, 0.0004384200000000, -0.0000391000000000 ] - [ -0.0002679000000000, -0.0000295900000000, -0.0001122600000000 ] - [ -0.0007841400000000, -0.0000984500000000, -0.0003132300000000 ] - [ -0.0002300300000000, 0.0001284100000000, -0.0004717600000000 ] - [ -0.0006404800000000, 0.0001089400000000, -0.0002683200000000 ] - [ -0.0001745600000000, 0.0002262100000000, -0.0003990100000000 ] - [ -0.0000587800000000, 0.0002881500000000, -0.0000032800000000 ] - [ -0.0001320800000000, -0.0000402200000000, -0.0001830600000000 ] - [ 0.0002513600000000, -0.0000616500000000, 0.0000079000000000 ] - [ -0.0001776100000000, -0.0005862100000000, 0.0004156800000000 ] - [ 0.0000329400000000, 0.0000073100000000, -0.0002341700000000 ] - [ -0.0002384700000000, -0.0001214100000000, -0.0004605700000000 ] - [ -0.0003576300000000, 0.0000450600000000, 0.0000393700000000 ] - [ -0.0005747400000000, 0.0006288500000000, -0.0000708200000000 ] - [ 0.0000319700000000, -0.0000071300000000, -0.0002416000000000 ] - [ -0.0004868200000000, 0.0002196700000000, 0.0006910000000000 ] - [ -0.0004168800000000, -0.0005169400000000, 0.0002031600000000 ] - [ -0.0005798000000000, 0.0000340000000000, -0.0006760000000000 ] - [ -0.0001100600000000, -0.0001637500000000, -0.0001729400000000 ] - [ -0.0000783300000000, -0.0004657500000000, -0.0000056400000000 ] - [ -0.0004925200000000, -0.0002117700000000, 0.0007481100000000 ] - [ -0.0004108000000000, 0.0005133900000000, 0.0001926600000000 ] - [ -0.0004266500000000, 0.0000288100000000, -0.0002770800000000 ] - [ 0.0000366200000000, 0.0001189600000000, -0.0002433700000000 ] - [ -0.0001723200000000, -0.0002244200000000, -0.0004047200000000 ] - [ -0.0002025400000000, 0.0006188500000000, 0.0003720000000000 ] - [ -0.0003152200000000, 0.0001187500000000, -0.0000334900000000 ] - [ -0.0002217900000000, -0.0001108900000000, -0.0001327600000000 ] - [ -0.0006518100000000, -0.0001159100000000, -0.0002002200000000 ] - [ -0.0003980400000000, 0.0000701400000000, 0.0005892700000000 ]- atom: 76 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0003911200000000, 0.0001287800000000, -0.0003257100000000 ] - [ -0.0006855100000000, -0.0002853700000000, 0.0000930200000000 ] - [ -0.0005216700000000, -0.0001167500000000, -0.0002929300000000 ] - [ -0.0007005000000000, 0.0002832700000000, 0.0001216500000000 ] - [ -0.0002893700000000, 0.0001182300000000, -0.0002146400000000 ] - [ -0.0002835700000000, -0.0002472000000000, 0.0004881400000000 ] - [ -0.0006259800000000, -0.0001368000000000, -0.0004070200000000 ] - [ -0.0013930900000000, 0.0003796100000000, -0.0003960400000000 ] - [ -0.0011718700000000, 0.0001347000000000, 0.0001096000000000 ] - [ -0.0014304200000000, 0.0000719700000000, -0.0008529500000000 ] - [ -0.0015896000000000, 0.0003319200000000, 0.0000828200000000 ] - [ -0.0015601600000000, -0.0003309300000000, 0.0000980700000000 ] - [ -0.0012632700000000, 0.0000543800000000, -0.0005194200000000 ] - [ -0.0013436700000000, -0.0000487500000000, -0.0002532900000000 ] - [ 0.0030154300000000, -0.0006324000000000, 0.0061915400000000 ] - [ 0.0041550100000000, 0.0005829000000000, -0.0060754200000000 ] - [ -0.0011050800000000, -0.0001214000000000, -0.0001177400000000 ] - [ -0.0004191600000000, -0.0007223800000000, 0.0002721400000000 ] - [ -0.0004327100000000, 0.0007178600000000, 0.0002858800000000 ] - [ 0.0046072600000000, 0.0005035200000000, 0.0001461600000000 ] - [ -0.0014497500000000, -0.0002776300000000, -0.0001763400000000 ] - [ -0.0000171400000000, -0.0003742700000000, -0.0015758500000000 ] - [ -0.0005008000000000, -0.0003924300000000, -0.0000989700000000 ] - [ 0.0411775600000000, 0.0145272900000000, 0.0208820000000000 ] - [ -0.0012898000000000, 0.0002370800000000, 0.0000049400000000 ] - [ -0.0044234300000000, 0.0018397500000000, -0.0017229800000000 ] - [ 0.0035396100000000, -0.0006407600000000, -0.0032546500000000 ] - [ 0.0114330900000000, -0.0031989500000000, 0.0069591400000000 ] - [ -0.0013610100000000, 0.0003237900000000, -0.0005211900000000 ] - [ 0.0010479100000000, 0.0001749100000000, 0.0009911100000000 ] - [ -0.0010543000000000, 0.0001171900000000, -0.0001269300000000 ] - [ -0.0022215600000000, -0.0000140100000000, 0.0013782600000000 ] - [ -0.0027619800000000, 0.0000948400000000, 0.0016344600000000 ] - [ 0.0035458700000000, -0.0003114500000000, 0.0013086100000000 ] - [ 0.0049129900000000, -0.0033021600000000, -0.0036317200000000 ] - [ -0.0014773000000000, 0.0002848700000000, 0.0007996500000000 ] - [ -0.0015662700000000, -0.0002705800000000, 0.0010092000000000 ] - [ -0.0011104300000000, 0.0002317100000000, -0.0001963600000000 ] - [ -0.0008210900000000, -0.0004203700000000, -0.0003197900000000 ] - [ -0.0014928800000000, -0.0002778600000000, 0.0008038900000000 ] - [ -0.0010470300000000, 0.0002307300000000, -0.0009429800000000 ] - [ -0.0008834300000000, -0.0002510200000000, 0.0003956000000000 ] - [ -0.0011738800000000, 0.0003792400000000, 0.0002239900000000 ] - [ -0.0011829100000000, -0.0003818500000000, 0.0002214700000000 ] - [ -0.0010515000000000, 0.0003931000000000, -0.0002908000000000 ] - [ -0.0008530500000000, 0.0002525300000000, 0.0003717500000000 ] - [ 0.0007816300000000, 0.0001040800000000, -0.0006293300000000 ] - [ -0.0011353800000000, -0.0002524300000000, -0.0002805100000000 ] - [ -0.0000971900000000, 0.0002162600000000, -0.0003617500000000 ] - [ 0.0003625300000000, -0.0001209800000000, -0.0003473000000000 ] - [ 0.0002572200000000, -0.0000836400000000, 0.0001262800000000 ] - [ -0.0012848700000000, 0.0000405900000000, 0.0014670800000000 ] - [ 0.0029018400000000, -0.0001581200000000, 0.0055276700000000 ] - [ 0.0000619500000000, 0.0000934900000000, -0.0003055900000000 ] - [ -0.0007579500000000, 0.0009845000000000, 0.0022631000000000 ] - [ 0.0031024700000000, -0.0006077900000000, -0.0005666400000000 ] - [ 0.0006446900000000, -0.0000701400000000, 0.0000904400000000 ] - [ -0.0085795800000000, 0.0032268400000000, 0.0004057600000000 ] - [ 0.0004861800000000, 0.0002242600000000, -0.0004703900000000 ] - [ -0.0041819500000000, 0.0011673800000000, 0.0016216800000000 ] - [ 0.0007385100000000, -0.0005350000000000, 0.0004260400000000 ] - [ 0.0007371000000000, 0.0005427900000000, 0.0004111600000000 ] - [ 0.0004898000000000, 0.0000477700000000, -0.0003576700000000 ] - [ 0.0004789000000000, -0.0002238000000000, -0.0004553600000000 ] - [ 0.0003101700000000, 0.0000708400000000, 0.0005314300000000 ] - [ -0.0009001100000000, -0.0011818800000000, -0.0008447600000000 ] - [ -0.0025050100000000, 0.0011857900000000, 0.0015914500000000 ] - [ 0.0011412400000000, -0.0000093200000000, 0.0002605200000000 ] - [ -0.0000603500000000, -0.0002213300000000, -0.0003709600000000 ] - [ 0.0007799000000000, 0.0001785300000000, -0.0001865000000000 ] - [ 0.0003595500000000, -0.0003049800000000, -0.0004238600000000 ] - [ 0.0017492200000000, 0.0009912400000000, 0.0005762800000000 ] - [ 0.0008653600000000, -0.0002222200000000, -0.0003560800000000 ] - [ 0.0003172100000000, -0.0000680400000000, -0.0001890700000000 ] - [ 0.0006305600000000, 0.0000658800000000, 0.0000993600000000 ] - [ -0.0549930900000000, -0.0208583600000000, -0.0108369600000000 ] - [ 0.0006126200000000, -0.0001479900000000, 0.0000499400000000 ] - [ 0.0011492700000000, -0.0001879900000000, -0.0000214600000000 ] - [ 0.0011162700000000, 0.0034816800000000, -0.0020132600000000 ] - [ 0.0003603200000000, 0.0001127900000000, -0.0002686400000000 ] - [ 0.0013244400000000, 0.0004154800000000, -0.0004540500000000 ] - [ -0.0023589700000000, -0.0006082200000000, 0.0007973600000000 ] - [ -0.0000012300000000, -0.0005461000000000, 0.0004798800000000 ] - [ 0.0000490700000000, -0.0000877600000000, -0.0003246100000000 ] - [ 0.0007162100000000, 0.0001753700000000, -0.0003826300000000 ] - [ -0.0070994300000000, -0.0066529400000000, -0.0087841700000000 ] - [ -0.0065889200000000, -0.0082020400000000, -0.0135811200000000 ] - [ 0.0004766300000000, -0.0000080900000000, -0.0004198600000000 ] - [ 0.0010982100000000, 0.0000177800000000, 0.0002004200000000 ] - [ 0.0006808000000000, -0.0001663000000000, -0.0003801700000000 ] - [ -0.0001059600000000, -0.0000343600000000, -0.0007907700000000 ] - [ -0.0017110200000000, 0.0012298300000000, 0.0013138600000000 ] - [ 0.0001073300000000, 0.0001295600000000, -0.0001245000000000 ] - [ -0.0003369900000000, -0.0003006600000000, -0.0003798800000000 ] - [ 0.0003278300000000, 0.0002893600000000, -0.0003105700000000 ] - [ 0.0019061000000000, 0.0075966600000000, -0.0023843600000000 ] - [ -0.0005485400000000, 0.0002068200000000, -0.0001947900000000 ] - [ 0.0003345100000000, -0.0001377300000000, -0.0001514900000000 ] - [ 0.0002517400000000, -0.0000965500000000, -0.0000330900000000 ] - [ 0.0001203300000000, -0.0002825300000000, 0.0005467000000000 ] - [ 0.0008726700000000, -0.0001866200000000, -0.0000282300000000 ] - [ -0.0002285600000000, -0.0001186900000000, -0.0016115300000000 ] - [ 0.0006677700000000, -0.0006136700000000, -0.0002980700000000 ] - [ 0.0002839400000000, -0.0000476800000000, -0.0002156300000000 ] - [ 0.0037947200000000, 0.0042018900000000, -0.0016201900000000 ] - [ 0.0002721700000000, -0.0000224500000000, 0.0005617700000000 ] - [ 0.0047100900000000, 0.0048379000000000, 0.0034505900000000 ] - [ 0.0002703300000000, 0.0000201500000000, 0.0005624000000000 ] - [ -0.0002276900000000, -0.0010824700000000, -0.0003902400000000 ] - [ 0.0047631300000000, 0.0013507900000000, 0.0069812500000000 ] - [ 0.0004667200000000, 0.0000599300000000, -0.0002289700000000 ] - [ -0.0012097000000000, 0.0003973700000000, -0.0010448800000000 ] - [ 0.0006422500000000, 0.0000376800000000, -0.0000057000000000 ] - [ 0.0008601800000000, 0.0001785000000000, -0.0000183900000000 ] - [ 0.0005541000000000, 0.0002922500000000, -0.0001344900000000 ] - [ 0.0004462100000000, -0.0000113700000000, -0.0004655900000000 ] - [ 0.0004344000000000, -0.0000147600000000, -0.0006996500000000 ] - [ 0.0009731700000000, 0.0001516700000000, -0.0000453100000000 ] - [ 0.0003296300000000, -0.0002624500000000, -0.0000902800000000 ] - [ 0.0009245900000000, 0.0005667900000000, -0.0000764500000000 ] - [ 0.0006827900000000, -0.0000711700000000, 0.0000354600000000 ] - [ 0.0003512500000000, -0.0000426600000000, -0.0003141900000000 ] - [ -0.0005013400000000, -0.0000577000000000, 0.0008274400000000 ] - [ 0.0005272400000000, -0.0002957700000000, 0.0002908600000000 ] - [ 0.0009092300000000, -0.0002953700000000, -0.0001927900000000 ] - [ 0.0009872600000000, -0.0002101000000000, -0.0001602600000000 ] - [ 0.0006757800000000, 0.0006208700000000, -0.0002932500000000 ] - [ 0.0003213700000000, 0.0001242000000000, -0.0004790900000000 ] - [ 0.0009470700000000, 0.0003060100000000, -0.0001441300000000 ] - [ 0.0004905200000000, 0.0006408900000000, 0.0008682600000000 ] - [ 0.0002905100000000, -0.0003256800000000, -0.0000234400000000 ] - [ -0.0005581000000000, -0.0001896200000000, 0.0004674700000000 ] - [ 0.0012311300000000, 0.0001672000000000, -0.0006871400000000 ] - [ 0.0005575000000000, -0.0002907800000000, -0.0001333700000000 ] - [ 0.0005017700000000, -0.0006444900000000, 0.0008677900000000 ] - [ 0.0002639100000000, 0.0003451700000000, 0.0000425400000000 ] - [ 0.0012705600000000, -0.0001321100000000, 0.0012058700000000 ] - [ 0.0001090100000000, 0.0000356300000000, -0.0001146500000000 ] - [ 0.0009040700000000, -0.0005664400000000, -0.0000515900000000 ] - [ 0.0005229500000000, 0.0002961400000000, 0.0002946700000000 ] - [ 0.0001156600000000, 0.0001277100000000, 0.0000268800000000 ] - [ 0.0002743100000000, 0.0000484100000000, -0.0002127300000000 ] - [ 0.0003303200000000, 0.0003325900000000, -0.0006132100000000 ] - [ 0.0001255100000000, 0.0002851400000000, 0.0005466100000000 ]- atom: 76 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0003603000000000, 0.0001077700000000, -0.0002719100000000 ] - [ -0.0000004600000000, -0.0002332600000000, 0.0002392200000000 ] - [ 0.0004919400000000, -0.0001204900000000, -0.0003045900000000 ] - [ 0.0000146200000000, 0.0002348500000000, 0.0002104400000000 ] - [ 0.0002598900000000, 0.0001183700000000, -0.0003827300000000 ] - [ -0.0003991500000000, -0.0002715300000000, -0.0001545700000000 ] - [ 0.0005947600000000, -0.0001004200000000, -0.0001907900000000 ] - [ 0.0007040900000000, 0.0001383100000000, 0.0007259400000000 ] - [ 0.0013910100000000, 0.0001691300000000, -0.0008111600000000 ] - [ 0.0016479100000000, -0.0003758800000000, 0.0001565100000000 ] - [ 0.0014041900000000, 0.0001778600000000, 0.0001165700000000 ] - [ 0.0013745700000000, -0.0001785000000000, 0.0001009800000000 ] - [ 0.0014808400000000, 0.0002493400000000, -0.0001803800000000 ] - [ 0.0015624800000000, -0.0002549200000000, -0.0004451400000000 ] - [ -0.0031347900000000, 0.0011330600000000, -0.0059802700000000 ] - [ -0.0043320100000000, -0.0010867500000000, 0.0062439200000000 ] - [ 0.0010814400000000, 0.0000209500000000, 0.0000221900000000 ] - [ 0.0016782500000000, -0.0008942300000000, 0.0005558700000000 ] - [ 0.0016917100000000, 0.0008988000000000, 0.0005421000000000 ] - [ -0.0051761400000000, 0.0006388800000000, 0.0014932300000000 ] - [ 0.0022786400000000, 0.0002270600000000, -0.0001535700000000 ] - [ 0.0001143000000000, 0.0005523700000000, 0.0011123500000000 ] - [ 0.0008971300000000, 0.0002313300000000, -0.0001060600000000 ] - [ -0.0415511000000000, -0.0152298100000000, -0.0185977200000000 ] - [ 0.0021182100000000, -0.0001861000000000, -0.0003365200000000 ] - [ 0.0051245200000000, -0.0022924300000000, 0.0021244800000000 ] - [ -0.0035015400000000, 0.0013177500000000, 0.0031890200000000 ] - [ -0.0113904700000000, 0.0025080800000000, -0.0069259800000000 ] - [ 0.0017628600000000, -0.0001625800000000, 0.0003226600000000 ] - [ -0.0003573400000000, 0.0002623400000000, -0.0006240700000000 ] - [ 0.0010304700000000, -0.0000166200000000, 0.0000311700000000 ] - [ 0.0023404400000000, -0.0001613400000000, -0.0018527200000000 ] - [ 0.0027312900000000, -0.0001907600000000, -0.0017133800000000 ] - [ -0.0022790300000000, -0.0013148100000000, -0.0005189900000000 ] - [ -0.0035804700000000, 0.0050037800000000, 0.0044875500000000 ] - [ 0.0009044900000000, 0.0008666900000000, 0.0008650500000000 ] - [ 0.0023939400000000, 0.0002191600000000, -0.0013316300000000 ] - [ 0.0012194500000000, -0.0000619400000000, -0.0002700600000000 ] - [ 0.0012201600000000, 0.0002595700000000, 0.0001172300000000 ] - [ 0.0009200400000000, -0.0008736800000000, 0.0008608000000000 ] - [ 0.0018764200000000, -0.0001801700000000, 0.0006074500000000 ] - [ 0.0015764000000000, -0.0001833400000000, -0.0000173000000000 ] - [ 0.0012418200000000, 0.0003092700000000, -0.0002676200000000 ] - [ 0.0012507500000000, -0.0003067300000000, -0.0002645100000000 ] - [ 0.0014503000000000, -0.0002331800000000, 0.0000899100000000 ] - [ 0.0015461100000000, 0.0001819300000000, 0.0000059800000000 ] - [ -0.0007967300000000, -0.0000021600000000, 0.0005248300000000 ] - [ 0.0012441900000000, 0.0000822900000000, -0.0001860600000000 ] - [ -0.0009469300000000, 0.0000545700000000, -0.0003316700000000 ] - [ -0.0009333300000000, -0.0008168400000000, 0.0000260700000000 ] - [ -0.0005884800000000, -0.0001514700000000, -0.0001687100000000 ] - [ 0.0008110300000000, -0.0003144400000000, -0.0003104300000000 ] - [ -0.0026713000000000, 0.0006263000000000, -0.0052277400000000 ] - [ -0.0009048500000000, -0.0000388900000000, -0.0006695800000000 ] - [ 0.0006886400000000, -0.0014193800000000, -0.0023784500000000 ] - [ -0.0032957900000000, 0.0007465200000000, 0.0002601900000000 ] - [ -0.0001662700000000, 0.0001178400000000, 0.0002493300000000 ] - [ 0.0075396200000000, -0.0028665400000000, 0.0002940600000000 ] - [ -0.0005808700000000, -0.0001080400000000, -0.0005039500000000 ] - [ 0.0031357800000000, -0.0015318800000000, -0.0008991100000000 ] - [ -0.0000735900000000, -0.0007694500000000, 0.0003844300000000 ] - [ -0.0000720800000000, 0.0007617500000000, 0.0003993400000000 ] - [ -0.0004268200000000, 0.0000386100000000, -0.0000751400000000 ] - [ -0.0005735700000000, 0.0001075600000000, -0.0005189700000000 ] - [ 0.0000264900000000, -0.0004308300000000, -0.0005212200000000 ] - [ 0.0011788100000000, 0.0007440800000000, 0.0012629500000000 ] - [ 0.0027608900000000, -0.0003766000000000, -0.0016903400000000 ] - [ -0.0009281400000000, -0.0000384700000000, -0.0003842100000000 ] - [ -0.0009839200000000, -0.0000494700000000, -0.0003228900000000 ] - [ -0.0004993100000000, 0.0001076500000000, -0.0005194800000000 ] - [ -0.0010377700000000, 0.0002751400000000, -0.0001259400000000 ] - [ -0.0014244600000000, -0.0003305100000000, -0.0011744800000000 ] - [ -0.0005318300000000, 0.0005856800000000, 0.0003634300000000 ] - [ -0.0002532900000000, -0.0000183000000000, -0.0002435800000000 ] - [ -0.0001522000000000, -0.0001132800000000, 0.0002406100000000 ] - [ 0.0547902500000000, 0.0193413300000000, 0.0108416800000000 ] - [ 0.0000132900000000, -0.0000307400000000, -0.0004835300000000 ] - [ -0.0008712900000000, -0.0000974000000000, -0.0006862800000000 ] - [ -0.0012239800000000, -0.0030699700000000, 0.0018999500000000 ] - [ -0.0009307100000000, 0.0008248100000000, -0.0000531100000000 ] - [ -0.0007059100000000, -0.0002388400000000, 0.0000225800000000 ] - [ 0.0019909000000000, 0.0013093100000000, 0.0007376600000000 ] - [ -0.0003940900000000, -0.0003717000000000, -0.0002033700000000 ] - [ -0.0008917200000000, 0.0000334300000000, -0.0006505400000000 ] - [ -0.0003308200000000, -0.0002624900000000, -0.0001414000000000 ] - [ 0.0073291900000000, 0.0058776900000000, 0.0086372800000000 ] - [ 0.0061941900000000, 0.0074080100000000, 0.0151000100000000 ] - [ -0.0008770700000000, 0.0009289200000000, 0.0007008700000000 ] - [ -0.0008845100000000, 0.0000304000000000, -0.0003241400000000 ] - [ -0.0002954900000000, 0.0002536200000000, -0.0001444400000000 ] - [ 0.0004376500000000, -0.0006305500000000, 0.0002011500000000 ] - [ 0.0017764900000000, -0.0002190800000000, -0.0005741700000000 ] - [ -0.0004384400000000, 0.0001049200000000, 0.0000843200000000 ] - [ 0.0002080200000000, 0.0001840700000000, 0.0000738800000000 ] - [ -0.0010056800000000, -0.0002591300000000, -0.0002399000000000 ] - [ -0.0023879600000000, -0.0074624300000000, 0.0035418200000000 ] - [ -0.0004980600000000, 0.0000642300000000, -0.0004971000000000 ] - [ -0.0009043400000000, -0.0007994400000000, -0.0001693300000000 ] - [ -0.0005823400000000, -0.0001378500000000, -0.0000084400000000 ] - [ -0.0005958500000000, 0.0000114800000000, 0.0005973700000000 ] - [ -0.0005928400000000, 0.0006254900000000, 0.0004396400000000 ] - [ -0.0006218400000000, 0.0001734800000000, 0.0006224600000000 ] - [ -0.0007509100000000, 0.0001715100000000, 0.0001744900000000 ] - [ -0.0004150800000000, 0.0001679800000000, -0.0000971600000000 ] - [ -0.0032229500000000, -0.0040510700000000, 0.0019070000000000 ] - [ -0.0013299900000000, 0.0003961200000000, 0.0001430000000000 ] - [ -0.0047443600000000, -0.0046631200000000, -0.0043829000000000 ] - [ -0.0013277400000000, -0.0003933400000000, 0.0001426400000000 ] - [ 0.0008824600000000, -0.0002173700000000, 0.0012194000000000 ] - [ -0.0040122500000000, -0.0000290700000000, -0.0060541600000000 ] - [ -0.0004029500000000, 0.0000269000000000, -0.0002042900000000 ] - [ 0.0011095700000000, -0.0005123200000000, 0.0000754300000000 ] - [ -0.0003085300000000, -0.0003974000000000, 0.0000146600000000 ] - [ -0.0005803200000000, -0.0006173200000000, 0.0004301100000000 ] - [ -0.0002937100000000, 0.0005098600000000, 0.0000196400000000 ] - [ -0.0002412700000000, -0.0000359700000000, 0.0003351800000000 ] - [ -0.0014757700000000, -0.0002535700000000, 0.0000037800000000 ] - [ -0.0006926600000000, 0.0001339900000000, -0.0006612600000000 ] - [ -0.0010068600000000, 0.0002320700000000, -0.0004586000000000 ] - [ -0.0005952800000000, 0.0000959800000000, -0.0005171900000000 ] - [ -0.0003491400000000, 0.0004313900000000, -0.0000265000000000 ] - [ -0.0002882800000000, -0.0000435900000000, -0.0001179800000000 ] - [ 0.0009741200000000, 0.0000114900000000, -0.0004709400000000 ] - [ -0.0004631400000000, -0.0007192300000000, 0.0004336700000000 ] - [ -0.0002870500000000, 0.0001182600000000, -0.0002401100000000 ] - [ -0.0007085500000000, -0.0000757500000000, -0.0005474700000000 ] - [ -0.0007582600000000, -0.0001785700000000, 0.0001689900000000 ] - [ -0.0008931700000000, 0.0008140900000000, 0.0001569800000000 ] - [ -0.0003243400000000, -0.0001285700000000, -0.0002889300000000 ] - [ -0.0008576200000000, 0.0000578000000000, 0.0006588600000000 ] - [ -0.0006882400000000, -0.0005926500000000, 0.0003019800000000 ] - [ -0.0002850200000000, 0.0001334500000000, -0.0014363700000000 ] - [ -0.0008424100000000, -0.0002569000000000, 0.0001614000000000 ] - [ -0.0002971300000000, -0.0005113500000000, 0.0000185800000000 ] - [ -0.0008687800000000, -0.0000542100000000, 0.0006589100000000 ] - [ -0.0006616900000000, 0.0005731000000000, 0.0002361000000000 ] - [ -0.0010538500000000, 0.0001803500000000, -0.0013261100000000 ] - [ 0.0002732400000000, 0.0000523700000000, -0.0004078600000000 ] - [ -0.0005743600000000, -0.0000963700000000, -0.0005413600000000 ] - [ -0.0004589000000000, 0.0007188700000000, 0.0004297200000000 ] - [ -0.0004473800000000, 0.0001072700000000, -0.0000679700000000 ] - [ -0.0004054600000000, -0.0001685600000000, -0.0000996800000000 ] - [ -0.0010092900000000, -0.0003026200000000, 0.0000620000000000 ] - [ -0.0006009500000000, -0.0000141500000000, 0.0005971900000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002062700000000, 0.0001194500000000, -0.0003108300000000 ] - [ -0.0004944100000000, -0.0002703900000000, 0.0001383800000000 ] - [ -0.0002089500000000, -0.0001223600000000, -0.0002975200000000 ] - [ -0.0004941600000000, 0.0002694300000000, 0.0001437200000000 ] - [ -0.0000964500000000, 0.0001206400000000, -0.0003332200000000 ] - [ -0.0001142600000000, -0.0002697900000000, 0.0002342900000000 ] - [ -0.0003281200000000, -0.0001287500000000, -0.0002801400000000 ] - [ -0.0013726100000000, 0.0005452100000000, -0.0001349200000000 ] - [ -0.0004272500000000, 0.0001300700000000, -0.0002982000000000 ] - [ -0.0005270400000000, -0.0001111600000000, -0.0003723300000000 ] - [ -0.0007349900000000, 0.0002876200000000, 0.0000957700000000 ] - [ -0.0007303700000000, -0.0002878100000000, 0.0000973800000000 ] - [ -0.0006717500000000, 0.0001117900000000, -0.0004250200000000 ] - [ -0.0003181700000000, -0.0001121700000000, -0.0003059500000000 ] - [ 0.0056654600000000, -0.0022498700000000, 0.0009037600000000 ] - [ 0.0026983900000000, -0.0008267500000000, -0.0056071800000000 ] - [ -0.0004758300000000, -0.0000813400000000, -0.0000778400000000 ] - [ 0.0001744600000000, -0.0007701400000000, 0.0003526800000000 ] - [ 0.0001735400000000, 0.0007698400000000, 0.0003582000000000 ] - [ 0.0026408400000000, -0.0005024600000000, -0.0014418400000000 ] - [ -0.0003719600000000, -0.0001276100000000, -0.0001344000000000 ] - [ -0.0006973200000000, 0.0005545800000000, -0.0004764700000000 ] - [ -0.0002631700000000, -0.0002539400000000, -0.0002607800000000 ] - [ 0.0170936300000000, 0.0782201600000000, 0.0847829300000000 ] - [ -0.0003398500000000, 0.0001203300000000, -0.0001291200000000 ] - [ 0.0020075700000000, -0.0036613200000000, -0.0001788100000000 ] - [ -0.0011475000000000, -0.0010452500000000, -0.0027447800000000 ] - [ 0.0041329700000000, 0.0069275900000000, 0.0075889600000000 ] - [ -0.0003539300000000, 0.0002979900000000, -0.0001913200000000 ] - [ 0.0004570600000000, 0.0005158200000000, -0.0001362300000000 ] - [ -0.0004705900000000, 0.0000799600000000, -0.0000835500000000 ] - [ -0.0004653100000000, -0.0006065200000000, 0.0000228900000000 ] - [ -0.0007336000000000, -0.0002527400000000, 0.0033014800000000 ] - [ 0.0021207900000000, -0.0006707900000000, -0.0012643300000000 ] - [ -0.0087168600000000, -0.0022839100000000, 0.0019696100000000 ] - [ -0.0008049000000000, 0.0004471100000000, 0.0008157700000000 ] - [ 0.0001566900000000, -0.0000715700000000, 0.0008886500000000 ] - [ -0.0004011300000000, 0.0001333700000000, -0.0002571200000000 ] - [ -0.0002962200000000, -0.0002937000000000, -0.0003557800000000 ] - [ -0.0007997500000000, -0.0004481900000000, 0.0008238900000000 ] - [ -0.0007318900000000, 0.0001999900000000, -0.0009692600000000 ] - [ -0.0001601400000000, -0.0002307800000000, 0.0003001600000000 ] - [ -0.0004819000000000, 0.0003601100000000, 0.0000727300000000 ] - [ -0.0004948100000000, -0.0003652700000000, 0.0000936800000000 ] - [ -0.0002850300000000, 0.0001516300000000, -0.0000215000000000 ] - [ -0.0001919900000000, 0.0002402500000000, 0.0002459500000000 ] - [ 0.0007863500000000, 0.0001883500000000, -0.0012256400000000 ] - [ -0.0005059700000000, -0.0001698800000000, -0.0002159000000000 ] - [ -0.0003314300000000, 0.0001705600000000, -0.0003528600000000 ] - [ -0.0000107100000000, -0.0003199600000000, -0.0002267400000000 ] - [ -0.0000089500000000, -0.0001121700000000, -0.0000026100000000 ] - [ -0.0004686300000000, -0.0003297500000000, 0.0020429100000000 ] - [ -0.0021350600000000, -0.0007587300000000, -0.0025493000000000 ] - [ -0.0002153000000000, 0.0000537200000000, -0.0004127200000000 ] - [ 0.0009098900000000, 0.0006022600000000, 0.0012819400000000 ] - [ -0.0010322300000000, 0.0005231100000000, -0.0002752100000000 ] - [ 0.0004113600000000, -0.0000149600000000, 0.0001341000000000 ] - [ -0.0046021500000000, 0.0030582200000000, -0.0010111100000000 ] - [ 0.0001808400000000, 0.0001295100000000, -0.0004767300000000 ] - [ -0.0009350000000000, 0.0018693400000000, 0.0034263200000000 ] - [ 0.0005071600000000, -0.0006026200000000, 0.0004138800000000 ] - [ 0.0005064900000000, 0.0006042100000000, 0.0004101800000000 ] - [ 0.0002143300000000, 0.0000377800000000, -0.0002621100000000 ] - [ 0.0001801100000000, -0.0001304800000000, -0.0004731800000000 ] - [ 0.0004044900000000, -0.0001316600000000, 0.0002235300000000 ] - [ -0.0004373900000000, -0.0006360700000000, 0.0001393500000000 ] - [ -0.0016868900000000, 0.0012719300000000, 0.0021879900000000 ] - [ 0.0005473000000000, -0.0000182200000000, 0.0000691900000000 ] - [ -0.0003288200000000, -0.0001710500000000, -0.0003574500000000 ] - [ 0.0004742900000000, 0.0001726600000000, -0.0002356600000000 ] - [ -0.0000497800000000, -0.0001339400000000, -0.0003176100000000 ] - [ 0.0002691600000000, 0.0008141900000000, -0.0001274200000000 ] - [ 0.0005973800000000, 0.0002217200000000, -0.0002363000000000 ] - [ 0.0001894800000000, -0.0000538500000000, -0.0002117900000000 ] - [ 0.0004089000000000, 0.0000144700000000, 0.0001376800000000 ] - [ -0.0198451000000000, -0.1019252600000000, -0.0895106100000000 ] - [ 0.0006299200000000, -0.0002025500000000, -0.0001459800000000 ] - [ 0.0005155200000000, -0.0001625800000000, -0.0002476200000000 ] - [ -0.0001142800000000, 0.0000659900000000, -0.0010752500000000 ] - [ -0.0000004800000000, 0.0003174400000000, -0.0002211600000000 ] - [ 0.0005834800000000, 0.0002313900000000, -0.0002068100000000 ] - [ -0.0013305200000000, 0.0000703400000000, 0.0013037400000000 ] - [ 0.0000472400000000, -0.0004622400000000, 0.0001460300000000 ] - [ -0.0002181100000000, -0.0000543600000000, -0.0004124300000000 ] - [ 0.0004142000000000, 0.0000505000000000, -0.0003150300000000 ] - [ -0.0046266200000000, -0.0102490500000000, -0.0061911200000000 ] - [ -0.0087258100000000, 0.0128915200000000, 0.0087522500000000 ] - [ -0.0000529200000000, 0.0004176900000000, 0.0000280100000000 ] - [ 0.0005358100000000, 0.0000191100000000, 0.0000608200000000 ] - [ 0.0004091400000000, -0.0000478400000000, -0.0003112600000000 ] - [ 0.0002221200000000, -0.0003643500000000, -0.0002674700000000 ] - [ -0.0006946100000000, 0.0006171700000000, 0.0019022600000000 ] - [ -0.0000188200000000, 0.0001082900000000, 0.0000027000000000 ] - [ -0.0000015500000000, 0.0000530400000000, 0.0000916000000000 ] - [ -0.0000380300000000, 0.0001371900000000, -0.0003116900000000 ] - [ 0.0080013900000000, 0.0109591400000000, -0.0035822500000000 ] - [ -0.0005734000000000, 0.0002556300000000, -0.0000393600000000 ] - [ 0.0001720300000000, -0.0002346100000000, -0.0001592000000000 ] - [ -0.0000029000000000, -0.0001215600000000, -0.0000825600000000 ] - [ -0.0000816900000000, -0.0002035900000000, 0.0005688800000000 ] - [ 0.0004459200000000, 0.0000485600000000, 0.0001071100000000 ] - [ -0.0013358600000000, -0.0005177300000000, -0.0021213100000000 ] - [ 0.0002577000000000, -0.0003859500000000, -0.0001602000000000 ] - [ 0.0000858900000000, 0.0000185300000000, -0.0002007700000000 ] - [ 0.0023579600000000, 0.0020599100000000, -0.0050607700000000 ] - [ -0.0001812300000000, 0.0000986800000000, 0.0004418200000000 ] - [ 0.0099701100000000, 0.0072620400000000, 0.0047412100000000 ] - [ -0.0001852800000000, -0.0000994700000000, 0.0004432600000000 ] - [ -0.0000182200000000, 0.0000796300000000, 0.0012937800000000 ] - [ 0.0022017300000000, -0.0024250300000000, 0.0017206700000000 ] - [ 0.0002702400000000, 0.0000500800000000, -0.0003287400000000 ] - [ -0.0008289200000000, -0.0001248700000000, 0.0000220400000000 ] - [ 0.0003807300000000, -0.0000588500000000, 0.0000435800000000 ] - [ 0.0004566000000000, -0.0000464900000000, 0.0001108300000000 ] - [ 0.0003152400000000, 0.0003539400000000, -0.0000881400000000 ] - [ -0.0008808200000000, 0.0000151300000000, -0.0005992300000000 ] - [ -0.0000160300000000, 0.0002805700000000, -0.0010334400000000 ] - [ 0.0006656900000000, 0.0001489200000000, -0.0001090200000000 ] - [ 0.0001150600000000, -0.0001743500000000, -0.0001749000000000 ] - [ 0.0004553400000000, 0.0004322100000000, -0.0002133200000000 ] - [ 0.0003815500000000, 0.0000956300000000, -0.0000225000000000 ] - [ 0.0001235800000000, -0.0000444100000000, -0.0001449500000000 ] - [ -0.0004452700000000, 0.0000453000000000, 0.0017977000000000 ] - [ 0.0002450100000000, -0.0004175100000000, 0.0003276400000000 ] - [ 0.0005284900000000, -0.0001635400000000, -0.0001785600000000 ] - [ 0.0003479100000000, -0.0001716200000000, -0.0003800500000000 ] - [ 0.0002782500000000, 0.0004005300000000, -0.0001679700000000 ] - [ -0.0002641500000000, 0.0004550000000000, -0.0002926100000000 ] - [ 0.0006248100000000, 0.0001961000000000, -0.0002063000000000 ] - [ 0.0001097500000000, 0.0004755900000000, 0.0008065500000000 ] - [ -0.0000219900000000, -0.0004224300000000, 0.0000731400000000 ] - [ -0.0004156300000000, -0.0003237400000000, 0.0007567400000000 ] - [ 0.0007417600000000, -0.0000374900000000, -0.0006525200000000 ] - [ 0.0003146100000000, -0.0003532200000000, -0.0000886900000000 ] - [ 0.0001095900000000, -0.0004757700000000, 0.0008045700000000 ] - [ 0.0000322300000000, 0.0003902500000000, 0.0000888000000000 ] - [ 0.0012708700000000, 0.0000782600000000, 0.0010376200000000 ] - [ 0.0000486600000000, 0.0000381200000000, -0.0000013200000000 ] - [ 0.0005202700000000, -0.0004370800000000, -0.0001795300000000 ] - [ 0.0002447500000000, 0.0004166700000000, 0.0003339800000000 ] - [ -0.0000259100000000, 0.0001107500000000, 0.0000491300000000 ] - [ 0.0000811200000000, -0.0000110600000000, -0.0001661600000000 ] - [ -0.0002386300000000, 0.0000684200000000, -0.0004022000000000 ] - [ -0.0000816000000000, 0.0001983000000000, 0.0005574100000000 ]- atom: 76 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001751700000000, 0.0001170000000000, -0.0002869000000000 ] - [ -0.0001924900000000, -0.0002484700000000, 0.0001935700000000 ] - [ 0.0001775200000000, -0.0001151300000000, -0.0003003200000000 ] - [ -0.0001928000000000, 0.0002483300000000, 0.0001881600000000 ] - [ 0.0000661100000000, 0.0001157900000000, -0.0002642300000000 ] - [ -0.0005696200000000, -0.0002492700000000, 0.0000994600000000 ] - [ 0.0002961700000000, -0.0001087600000000, -0.0003177800000000 ] - [ 0.0006824000000000, -0.0000269400000000, 0.0004649700000000 ] - [ 0.0006423500000000, 0.0001731400000000, -0.0004002700000000 ] - [ 0.0007418800000000, -0.0001920800000000, -0.0003287600000000 ] - [ 0.0005435500000000, 0.0002219800000000, 0.0001043600000000 ] - [ 0.0005388300000000, -0.0002220900000000, 0.0001025500000000 ] - [ 0.0008863700000000, 0.0001913800000000, -0.0002753700000000 ] - [ 0.0005335500000000, -0.0001915600000000, -0.0003934000000000 ] - [ -0.0058179800000000, 0.0027696500000000, -0.0006734400000000 ] - [ -0.0028647300000000, 0.0003149800000000, 0.0057729100000000 ] - [ 0.0004490300000000, -0.0000199900000000, -0.0000192800000000 ] - [ 0.0010821300000000, -0.0008455900000000, 0.0004745700000000 ] - [ 0.0010829900000000, 0.0008453400000000, 0.0004691300000000 ] - [ -0.0031830200000000, 0.0016411000000000, 0.0030882700000000 ] - [ 0.0011942200000000, 0.0000763700000000, -0.0001965900000000 ] - [ 0.0008030300000000, -0.0003888400000000, 0.0000070500000000 ] - [ 0.0006589700000000, 0.0000924200000000, 0.0000594100000000 ] - [ -0.0180173400000000, -0.0806593800000000, -0.0863776400000000 ] - [ 0.0011622500000000, -0.0000695900000000, -0.0002016100000000 ] - [ -0.0013238700000000, 0.0032798900000000, 0.0005960900000000 ] - [ 0.0012356800000000, 0.0017473800000000, 0.0026873400000000 ] - [ -0.0041865700000000, -0.0078142600000000, -0.0075344300000000 ] - [ 0.0007493900000000, -0.0001382300000000, -0.0000114800000000 ] - [ 0.0002384100000000, -0.0000804200000000, 0.0005171000000000 ] - [ 0.0004439900000000, 0.0000208800000000, -0.0000136300000000 ] - [ 0.0005652200000000, 0.0004421900000000, -0.0004914500000000 ] - [ 0.0006993800000000, 0.0001524900000000, -0.0033813400000000 ] - [ -0.0008439200000000, -0.0009577300000000, 0.0020653300000000 ] - [ 0.0098123700000000, 0.0038669000000000, -0.0011179400000000 ] - [ 0.0002309800000000, 0.0007017800000000, 0.0008494800000000 ] - [ 0.0006658500000000, 0.0000206100000000, -0.0012143800000000 ] - [ 0.0005051600000000, 0.0000355000000000, -0.0002099300000000 ] - [ 0.0006912000000000, 0.0001316500000000, 0.0001526700000000 ] - [ 0.0002256000000000, -0.0007012600000000, 0.0008414000000000 ] - [ 0.0015537600000000, -0.0001487400000000, 0.0006337300000000 ] - [ 0.0008505100000000, -0.0002078900000000, 0.0000785500000000 ] - [ 0.0005467100000000, 0.0003314700000000, -0.0001161400000000 ] - [ 0.0005596300000000, -0.0003270800000000, -0.0001367600000000 ] - [ 0.0006797200000000, 0.0000088700000000, -0.0001800000000000 ] - [ 0.0008823200000000, 0.0001978700000000, 0.0001322800000000 ] - [ -0.0008022300000000, -0.0000860700000000, 0.0011224800000000 ] - [ 0.0006096300000000, 0.0000002700000000, -0.0002513200000000 ] - [ -0.0007113200000000, 0.0000987500000000, -0.0003410500000000 ] - [ -0.0005565600000000, -0.0006165800000000, -0.0000952500000000 ] - [ -0.0003197800000000, -0.0001226900000000, -0.0000397800000000 ] - [ -0.0000109300000000, 0.0000564400000000, -0.0008919100000000 ] - [ 0.0024628900000000, 0.0011640500000000, 0.0029974700000000 ] - [ -0.0006264800000000, 0.0000003600000000, -0.0005607300000000 ] - [ -0.0010029700000000, -0.0010468500000000, -0.0014013100000000 ] - [ 0.0009150700000000, -0.0004140000000000, -0.0000441400000000 ] - [ 0.0000675400000000, 0.0000633100000000, 0.0002042500000000 ] - [ 0.0035241100000000, -0.0026507800000000, 0.0017244000000000 ] - [ -0.0002745500000000, -0.0000133200000000, -0.0004961800000000 ] - [ -0.0001287500000000, -0.0022709300000000, -0.0027508500000000 ] - [ 0.0001586400000000, -0.0007024100000000, 0.0003972700000000 ] - [ 0.0001594100000000, 0.0007003200000000, 0.0004009500000000 ] - [ -0.0001473200000000, 0.0000491500000000, -0.0001700000000000 ] - [ -0.0002738200000000, 0.0000136700000000, -0.0004996600000000 ] - [ -0.0000696100000000, -0.0002264600000000, -0.0002119200000000 ] - [ 0.0007122300000000, 0.0001910600000000, 0.0002663900000000 ] - [ 0.0019363400000000, -0.0004624200000000, -0.0022734000000000 ] - [ -0.0003310900000000, -0.0000286200000000, -0.0001902400000000 ] - [ -0.0007138400000000, -0.0000987800000000, -0.0003368400000000 ] - [ -0.0001905700000000, 0.0001129100000000, -0.0004705900000000 ] - [ -0.0006234700000000, 0.0001023100000000, -0.0002323900000000 ] - [ 0.0000677900000000, -0.0001554000000000, -0.0004666000000000 ] - [ -0.0002645200000000, 0.0001338400000000, 0.0002478700000000 ] - [ -0.0001225900000000, -0.0000331700000000, -0.0002204500000000 ] - [ 0.0000698700000000, -0.0000631500000000, 0.0002009100000000 ] - [ 0.0203870900000000, 0.1025945200000000, 0.0933578100000000 ] - [ -0.0000054700000000, 0.0000239200000000, -0.0002838800000000 ] - [ -0.0002317600000000, -0.0001232300000000, -0.0004581600000000 ] - [ 0.0000429300000000, 0.0004207000000000, 0.0009509500000000 ] - [ -0.0005668600000000, 0.0006183900000000, -0.0001007100000000 ] - [ 0.0000443900000000, -0.0000527000000000, -0.0002233000000000 ] - [ 0.0009557500000000, 0.0006271900000000, 0.0002240600000000 ] - [ -0.0004446300000000, -0.0004559200000000, 0.0001298200000000 ] - [ -0.0006234300000000, 0.0000000300000000, -0.0005612000000000 ] - [ -0.0000266600000000, -0.0001378300000000, -0.0002090700000000 ] - [ 0.0049644300000000, 0.0095539300000000, 0.0061651800000000 ] - [ 0.0084481300000000, -0.0137118500000000, -0.0074553200000000 ] - [ -0.0003431000000000, 0.0004981700000000, 0.0002464800000000 ] - [ -0.0003189900000000, 0.0000275500000000, -0.0001822700000000 ] - [ -0.0000218300000000, 0.0001346700000000, -0.0002135300000000 ] - [ 0.0001074000000000, -0.0002998300000000, -0.0003269100000000 ] - [ 0.0007531700000000, 0.0003969300000000, -0.0011671500000000 ] - [ -0.0003108100000000, 0.0001261300000000, -0.0000458100000000 ] - [ -0.0001292500000000, -0.0001752500000000, -0.0004077000000000 ] - [ -0.0006357100000000, -0.0001060900000000, -0.0002378800000000 ] - [ -0.0087179500000000, -0.0108911500000000, 0.0048014400000000 ] - [ -0.0004720900000000, 0.0000137700000000, -0.0006529500000000 ] - [ -0.0007386500000000, -0.0007013400000000, -0.0001622600000000 ] - [ -0.0003256300000000, -0.0001129900000000, 0.0000399000000000 ] - [ -0.0003918200000000, -0.0000699500000000, 0.0005775900000000 ] - [ -0.0001658600000000, 0.0003903800000000, 0.0003060100000000 ] - [ 0.0004940900000000, 0.0005693600000000, 0.0011388800000000 ] - [ -0.0003361600000000, -0.0000593400000000, 0.0000339600000000 ] - [ -0.0002153100000000, 0.0001029200000000, -0.0001150000000000 ] - [ -0.0018577400000000, -0.0020188600000000, 0.0053590500000000 ] - [ -0.0008736100000000, 0.0002764100000000, 0.0002630000000000 ] - [ -0.0099283100000000, -0.0070333200000000, -0.0056302500000000 ] - [ -0.0008691800000000, -0.0002756800000000, 0.0002618600000000 ] - [ 0.0006682700000000, -0.0013892800000000, -0.0004740200000000 ] - [ -0.0015189600000000, 0.0036644500000000, -0.0009161400000000 ] - [ -0.0002028900000000, 0.0000368400000000, -0.0001039400000000 ] - [ 0.0007270600000000, 0.0000132600000000, -0.0009970900000000 ] - [ -0.0000449900000000, -0.0002993000000000, -0.0000335700000000 ] - [ -0.0001765100000000, -0.0003929500000000, 0.0003025500000000 ] - [ -0.0000523000000000, 0.0004476600000000, -0.0000244200000000 ] - [ 0.0010924400000000, -0.0000626800000000, 0.0004735400000000 ] - [ -0.0010250900000000, -0.0005499600000000, 0.0003372100000000 ] - [ -0.0003805400000000, 0.0001364000000000, -0.0005963000000000 ] - [ -0.0007884600000000, 0.0001426500000000, -0.0003740100000000 ] - [ -0.0001226100000000, 0.0002331100000000, -0.0003790200000000 ] - [ -0.0000459000000000, 0.0002623800000000, 0.0000325700000000 ] - [ -0.0000570000000000, -0.0000425000000000, -0.0002868600000000 ] - [ 0.0009177600000000, -0.0000940700000000, -0.0014470800000000 ] - [ -0.0001786800000000, -0.0005980300000000, 0.0003951000000000 ] - [ 0.0000963800000000, -0.0000153900000000, -0.0002513200000000 ] - [ -0.0000646100000000, -0.0001144700000000, -0.0003265600000000 ] - [ -0.0003562400000000, 0.0000442000000000, 0.0000411700000000 ] - [ -0.0003037700000000, 0.0004811000000000, -0.0000299900000000 ] - [ 0.0000005300000000, -0.0000175200000000, -0.0002237000000000 ] - [ -0.0004747000000000, 0.0002234100000000, 0.0007176400000000 ] - [ -0.0003745000000000, -0.0004955200000000, 0.0002021200000000 ] - [ -0.0004281200000000, 0.0002677100000000, -0.0017246800000000 ] - [ -0.0003507200000000, -0.0000501800000000, 0.0001271200000000 ] - [ -0.0000517000000000, -0.0004489900000000, -0.0000237700000000 ] - [ -0.0004744600000000, -0.0002238100000000, 0.0007192400000000 ] - [ -0.0004288300000000, 0.0005270400000000, 0.0001865300000000 ] - [ -0.0010487600000000, -0.0000307900000000, -0.0011522100000000 ] - [ 0.0003353200000000, 0.0000495500000000, -0.0005213300000000 ] - [ -0.0001871800000000, -0.0002289500000000, -0.0004121900000000 ] - [ -0.0001784600000000, 0.0005982900000000, 0.0003886300000000 ] - [ -0.0003038200000000, 0.0001238600000000, -0.0000915300000000 ] - [ -0.0002105600000000, -0.0001108200000000, -0.0001492300000000 ] - [ -0.0004353200000000, -0.0000374500000000, -0.0001486200000000 ] - [ -0.0003918400000000, 0.0000746200000000, 0.0005888600000000 ]- atom: 76 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0000722500000000, 0.0000920400000000, -0.0003869500000000 ] - [ -0.0003172200000000, -0.0002582400000000, 0.0001555500000000 ] - [ 0.0002226400000000, -0.0001615400000000, -0.0001776100000000 ] - [ -0.0002557900000000, 0.0002535300000000, 0.0001947300000000 ] - [ 0.0001407600000000, 0.0001216400000000, -0.0004404000000000 ] - [ 0.0002143200000000, -0.0003209300000000, 0.0000521700000000 ] - [ -0.0000140800000000, -0.0001168800000000, -0.0001370300000000 ] - [ -0.0013562100000000, 0.0003715900000000, 0.0001812800000000 ] - [ 0.0010887900000000, 0.0002905500000000, -0.0009235400000000 ] - [ -0.0005904300000000, 0.0000061000000000, -0.0001009200000000 ] - [ 0.0000987000000000, 0.0002495400000000, 0.0001019700000000 ] - [ 0.0001783800000000, -0.0002367100000000, 0.0001001100000000 ] - [ -0.0000732300000000, 0.0001715100000000, -0.0003302900000000 ] - [ 0.0007457800000000, -0.0001720100000000, -0.0003525600000000 ] - [ 0.0097912200000000, 0.0015281900000000, -0.0015738800000000 ] - [ -0.0029876100000000, -0.0012572800000000, -0.0072217100000000 ] - [ 0.0001631300000000, -0.0000489200000000, 0.0000161400000000 ] - [ 0.0007903400000000, -0.0008226000000000, 0.0004129200000000 ] - [ 0.0008008400000000, 0.0008215500000000, 0.0004575300000000 ] - [ -0.0005560100000000, 0.0008440900000000, -0.0080657300000000 ] - [ 0.0005584000000000, 0.0000013300000000, 0.0000032300000000 ] - [ -0.0028533300000000, 0.0008951200000000, -0.0016052500000000 ] - [ -0.0000219500000000, -0.0002500700000000, -0.0014609900000000 ] - [ 0.0112172400000000, 0.0743429400000000, 0.1588650200000000 ] - [ 0.0008226000000000, -0.0000256500000000, -0.0004015600000000 ] - [ -0.0041495000000000, 0.0023698100000000, 0.0113713200000000 ] - [ -0.0060950200000000, -0.0003024100000000, -0.0076749600000000 ] - [ 0.0072185300000000, 0.0147968900000000, -0.0001146200000000 ] - [ 0.0007138900000000, -0.0002585700000000, 0.0015327800000000 ] - [ 0.0017517800000000, 0.0009164100000000, -0.0054607100000000 ] - [ 0.0001512300000000, 0.0000313700000000, -0.0000882300000000 ] - [ 0.0051731500000000, 0.0013251200000000, 0.0014444000000000 ] - [ 0.0002204800000000, 0.0000459800000000, 0.0047589000000000 ] - [ 0.0017822400000000, -0.0026525500000000, -0.0092773500000000 ] - [ -0.0136730700000000, -0.0063485900000000, 0.0126427600000000 ] - [ -0.0001022100000000, 0.0006195200000000, 0.0008277200000000 ] - [ 0.0019375400000000, 0.0000917700000000, 0.0006835000000000 ] - [ 0.0003370700000000, 0.0000327600000000, -0.0003200200000000 ] - [ 0.0002509700000000, -0.0001833900000000, -0.0004204800000000 ] - [ -0.0000928000000000, -0.0006238400000000, 0.0008461200000000 ] - [ -0.0003679200000000, 0.0001442300000000, -0.0011709500000000 ] - [ 0.0005837200000000, -0.0002024500000000, 0.0002049300000000 ] - [ 0.0002301000000000, 0.0003335200000000, -0.0000879800000000 ] - [ 0.0002182500000000, -0.0003442100000000, -0.0000322500000000 ] - [ 0.0005068000000000, -0.0000979900000000, 0.0002647600000000 ] - [ 0.0004890200000000, 0.0002220900000000, 0.0001107400000000 ] - [ 0.0010897900000000, 0.0004884100000000, -0.0023976600000000 ] - [ 0.0001424100000000, -0.0000874400000000, -0.0001441700000000 ] - [ -0.0005694800000000, 0.0001270600000000, -0.0003057900000000 ] - [ -0.0005116200000000, -0.0005735600000000, -0.0000722000000000 ] - [ -0.0002449300000000, -0.0003048500000000, -0.0004872800000000 ] - [ 0.0002294100000000, -0.0014385600000000, 0.0046730900000000 ] - [ 0.0093649500000000, -0.0045111300000000, -0.0008307100000000 ] - [ -0.0004759500000000, 0.0000037300000000, -0.0005446100000000 ] - [ 0.0028447900000000, -0.0002064800000000, 0.0014190500000000 ] - [ -0.0013909400000000, 0.0022549300000000, -0.0050243900000000 ] - [ 0.0001833700000000, 0.0000394900000000, 0.0001652200000000 ] - [ -0.0001651900000000, -0.0026057900000000, 0.0041291400000000 ] - [ -0.0001360100000000, 0.0000283600000000, -0.0005029800000000 ] - [ 0.0017903400000000, 0.0030414900000000, 0.0062010200000000 ] - [ 0.0002765900000000, -0.0006621200000000, 0.0004170000000000 ] - [ 0.0002626400000000, 0.0006773200000000, 0.0003894600000000 ] - [ -0.0000501800000000, -0.0000905500000000, -0.0006129800000000 ] - [ -0.0001248800000000, -0.0000350600000000, -0.0004793000000000 ] - [ 0.0007342800000000, 0.0000249600000000, 0.0012540400000000 ] - [ -0.0012931900000000, -0.0003951800000000, 0.0036162300000000 ] - [ -0.0004507900000000, 0.0018600100000000, 0.0028506300000000 ] - [ 0.0000351100000000, -0.0000249700000000, -0.0000931800000000 ] - [ -0.0006169500000000, -0.0001168700000000, -0.0003856800000000 ] - [ 0.0001642400000000, 0.0002929500000000, -0.0000576700000000 ] - [ -0.0006298600000000, 0.0001105800000000, -0.0001379200000000 ] - [ 0.0015370900000000, 0.0001828700000000, -0.0012465900000000 ] - [ -0.0004310600000000, 0.0005413300000000, -0.0018634900000000 ] - [ 0.0000071500000000, -0.0001120000000000, 0.0001407300000000 ] - [ 0.0001706200000000, -0.0000371800000000, 0.0001982900000000 ] - [ -0.0096753100000000, -0.0888242300000000, -0.1789916100000000 ] - [ 0.0011150200000000, -0.0003446600000000, 0.0000028800000000 ] - [ -0.0000365600000000, 0.0000888200000000, -0.0007500800000000 ] - [ -0.0064929400000000, -0.0098220700000000, 0.0040660200000000 ] - [ -0.0002621100000000, 0.0004567100000000, -0.0001992800000000 ] - [ -0.0014224300000000, -0.0003718100000000, -0.0005249100000000 ] - [ 0.0006396600000000, 0.0008419500000000, 0.0036182100000000 ] - [ 0.0003375500000000, -0.0004870900000000, -0.0000548100000000 ] - [ -0.0005170800000000, -0.0000299300000000, -0.0004838000000000 ] - [ 0.0001219200000000, -0.0000538100000000, -0.0002897400000000 ] - [ -0.0029335300000000, 0.0010834800000000, 0.0155157600000000 ] - [ -0.0093269400000000, 0.0092928700000000, -0.0043447800000000 ] - [ -0.0010242000000000, 0.0005744400000000, 0.0004334800000000 ] - [ -0.0001330100000000, 0.0000242700000000, -0.0001110700000000 ] - [ 0.0001036300000000, 0.0000997300000000, -0.0001995000000000 ] - [ 0.0001182800000000, -0.0006435300000000, 0.0006307600000000 ] - [ 0.0010041700000000, -0.0010395200000000, 0.0048003500000000 ] - [ -0.0001705100000000, -0.0000279400000000, 0.0004180500000000 ] - [ 0.0001759900000000, 0.0011250300000000, 0.0026431800000000 ] - [ -0.0002906900000000, 0.0000528500000000, -0.0003528500000000 ] - [ -0.0011255600000000, -0.0038359300000000, -0.0085869900000000 ] - [ -0.0007391300000000, 0.0002992100000000, 0.0001366700000000 ] - [ 0.0000375400000000, -0.0002798300000000, -0.0001601700000000 ] - [ -0.0002699000000000, -0.0001479100000000, -0.0001319300000000 ] - [ -0.0002916000000000, -0.0001196500000000, 0.0005915300000000 ] - [ 0.0000106500000000, 0.0002877000000000, 0.0002421900000000 ] - [ -0.0020831000000000, -0.0007792000000000, -0.0024865000000000 ] - [ -0.0001697500000000, -0.0001468000000000, -0.0000145500000000 ] - [ -0.0001191600000000, 0.0000856500000000, -0.0001837100000000 ] - [ -0.0005338300000000, -0.0008407400000000, -0.0091783300000000 ] - [ -0.0006572100000000, 0.0002200900000000, 0.0003139900000000 ] - [ 0.0092838500000000, 0.0054442800000000, 0.0027529700000000 ] - [ -0.0006508100000000, -0.0002190000000000, 0.0003245800000000 ] - [ -0.0018493200000000, 0.0001509800000000, 0.0045704800000000 ] - [ 0.0062308800000000, 0.0028809900000000, 0.0029730100000000 ] - [ 0.0000676000000000, 0.0000381500000000, -0.0004436600000000 ] - [ -0.0007650700000000, -0.0001655400000000, 0.0010741200000000 ] - [ 0.0001092300000000, -0.0001590000000000, 0.0000956800000000 ] - [ 0.0000423500000000, -0.0002769600000000, 0.0002410900000000 ] - [ 0.0000622500000000, 0.0004213600000000, -0.0000443700000000 ] - [ -0.0018013700000000, -0.0000032200000000, -0.0006272100000000 ] - [ -0.0004715400000000, 0.0003343600000000, -0.0012163500000000 ] - [ 0.0003915200000000, 0.0001296400000000, -0.0001485500000000 ] - [ -0.0000621100000000, -0.0001580100000000, -0.0002525800000000 ] - [ -0.0000302000000000, 0.0002907000000000, -0.0003557500000000 ] - [ 0.0000698100000000, 0.0002722200000000, -0.0000877800000000 ] - [ -0.0001301900000000, -0.0000442000000000, 0.0000311000000000 ] - [ -0.0008022800000000, 0.0002604600000000, 0.0040566700000000 ] - [ -0.0000467800000000, -0.0005437500000000, 0.0003631300000000 ] - [ 0.0001312100000000, -0.0000257700000000, -0.0001702200000000 ] - [ -0.0003195000000000, -0.0001298700000000, -0.0006132500000000 ] - [ -0.0001359500000000, 0.0001712400000000, -0.0000370300000000 ] - [ -0.0008188200000000, 0.0007684100000000, -0.0001113000000000 ] - [ 0.0002953500000000, 0.0000850300000000, -0.0002786400000000 ] - [ -0.0002932400000000, 0.0003023700000000, 0.0007522400000000 ] - [ -0.0003438300000000, -0.0005220500000000, 0.0001761500000000 ] - [ -0.0001282800000000, -0.0006156500000000, 0.0013370100000000 ] - [ 0.0002118700000000, -0.0001228900000000, -0.0007268500000000 ] - [ 0.0000653700000000, -0.0004154900000000, -0.0000457500000000 ] - [ -0.0002865300000000, -0.0003043800000000, 0.0007407900000000 ] - [ -0.0002026000000000, 0.0004345000000000, 0.0001414200000000 ] - [ 0.0017296200000000, 0.0000272900000000, 0.0009166100000000 ] - [ -0.0001615700000000, 0.0000658500000000, 0.0001847700000000 ] - [ 0.0001279400000000, -0.0003003200000000, -0.0003100700000000 ] - [ -0.0000428400000000, 0.0005373200000000, 0.0003834500000000 ] - [ -0.0001842700000000, 0.0000983700000000, 0.0000841500000000 ] - [ -0.0001195300000000, -0.0000689400000000, -0.0001117200000000 ] - [ -0.0008269600000000, -0.0001881600000000, -0.0002175100000000 ] - [ -0.0002961700000000, 0.0001053800000000, 0.0005608200000000 ]- atom: 76 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0000435100000000, 0.0001444800000000, -0.0002115300000000 ] - [ -0.0003673400000000, -0.0002604600000000, 0.0001762200000000 ] - [ -0.0002507000000000, -0.0000760500000000, -0.0004196800000000 ] - [ -0.0004284300000000, 0.0002643900000000, 0.0001372500000000 ] - [ -0.0001707100000000, 0.0001150600000000, -0.0001590300000000 ] - [ -0.0009024200000000, -0.0001977200000000, 0.0002754500000000 ] - [ -0.0000126400000000, -0.0001202800000000, -0.0004592700000000 ] - [ 0.0006746900000000, 0.0001450500000000, 0.0001563400000000 ] - [ -0.0008617600000000, 0.0000141800000000, 0.0002236700000000 ] - [ 0.0008089900000000, -0.0003086800000000, -0.0005999900000000 ] - [ -0.0002811200000000, 0.0002595800000000, 0.0000975500000000 ] - [ -0.0003604600000000, -0.0002722700000000, 0.0000993600000000 ] - [ 0.0002941600000000, 0.0001322500000000, -0.0003675200000000 ] - [ -0.0005210100000000, -0.0001317000000000, -0.0003483900000000 ] - [ -0.0099956500000000, -0.0010373800000000, 0.0017064700000000 ] - [ 0.0027839800000000, 0.0007447600000000, 0.0074536000000000 ] - [ -0.0001833200000000, -0.0000516800000000, -0.0001126300000000 ] - [ 0.0004723300000000, -0.0007941300000000, 0.0004147300000000 ] - [ 0.0004616700000000, 0.0007949900000000, 0.0003703800000000 ] - [ -0.0000329800000000, 0.0003219100000000, 0.0097170300000000 ] - [ 0.0002741400000000, -0.0000511700000000, -0.0003343700000000 ] - [ 0.0029640200000000, -0.0007262800000000, 0.0011269900000000 ] - [ 0.0004248900000000, 0.0000897200000000, 0.0012540100000000 ] - [ -0.0127269800000000, -0.0812233200000000, -0.1652877000000000 ] - [ 0.0000120300000000, 0.0000751200000000, 0.0000692600000000 ] - [ 0.0047837900000000, -0.0027966500000000, -0.0110263100000000 ] - [ 0.0061926800000000, 0.0009776800000000, 0.0076181500000000 ] - [ -0.0071971300000000, -0.0153698200000000, 0.0003184300000000 ] - [ -0.0003149400000000, 0.0004174200000000, -0.0017292300000000 ] - [ -0.0010461700000000, -0.0004838600000000, 0.0058201600000000 ] - [ -0.0001711200000000, 0.0000691100000000, -0.0000088800000000 ] - [ -0.0050310400000000, -0.0014791500000000, -0.0018777300000000 ] - [ -0.0002269800000000, -0.0001457200000000, -0.0048596000000000 ] - [ -0.0005577800000000, 0.0010559300000000, 0.0101533300000000 ] - [ 0.0149340100000000, 0.0081201900000000, -0.0116554200000000 ] - [ -0.0004647500000000, 0.0005315100000000, 0.0008371500000000 ] - [ -0.0010968000000000, -0.0001404400000000, -0.0010242500000000 ] - [ -0.0002260000000000, 0.0001356300000000, -0.0001480200000000 ] - [ 0.0001494300000000, 0.0000231500000000, 0.0002174700000000 ] - [ -0.0004743400000000, -0.0005271700000000, 0.0008186400000000 ] - [ 0.0011971000000000, -0.0000946100000000, 0.0008475300000000 ] - [ 0.0001137100000000, -0.0002346600000000, 0.0001724500000000 ] - [ -0.0001579100000000, 0.0003571500000000, 0.0000428600000000 ] - [ -0.0001460000000000, -0.0003467100000000, -0.0000122400000000 ] - [ -0.0001026000000000, 0.0002569800000000, -0.0004652100000000 ] - [ 0.0002077400000000, 0.0002149400000000, 0.0002662800000000 ] - [ -0.0011264000000000, -0.0003906300000000, 0.0023072200000000 ] - [ -0.0000315500000000, -0.0000810200000000, -0.0003223400000000 ] - [ -0.0004761000000000, 0.0001416000000000, -0.0003886000000000 ] - [ -0.0000601200000000, -0.0003653300000000, -0.0002488600000000 ] - [ -0.0000850700000000, 0.0000697800000000, 0.0004425600000000 ] - [ -0.0007051200000000, 0.0011668100000000, -0.0035238700000000 ] - [ -0.0091137200000000, 0.0049489200000000, 0.0012459800000000 ] - [ -0.0003684200000000, 0.0000501600000000, -0.0004301500000000 ] - [ -0.0029381200000000, -0.0002282700000000, -0.0015299800000000 ] - [ 0.0012867200000000, -0.0021358800000000, 0.0046930700000000 ] - [ 0.0002935800000000, 0.0000096800000000, 0.0001731400000000 ] - [ -0.0008782000000000, 0.0029172700000000, -0.0033853000000000 ] - [ 0.0000394000000000, 0.0000874300000000, -0.0004704200000000 ] - [ -0.0028467000000000, -0.0034386500000000, -0.0055220000000000 ] - [ 0.0003871800000000, -0.0006425500000000, 0.0003939800000000 ] - [ 0.0004011700000000, 0.0006274200000000, 0.0004212700000000 ] - [ 0.0001157800000000, 0.0001758900000000, 0.0001788600000000 ] - [ 0.0000283100000000, -0.0000809400000000, -0.0004938400000000 ] - [ -0.0004002900000000, -0.0003839400000000, -0.0012385400000000 ] - [ 0.0015693800000000, -0.0000407000000000, -0.0031909700000000 ] - [ 0.0007265900000000, -0.0010617100000000, -0.0029716500000000 ] - [ 0.0001753500000000, -0.0000216500000000, -0.0000294600000000 ] - [ -0.0004285400000000, -0.0001518100000000, -0.0003095000000000 ] - [ 0.0001147400000000, -0.0000068100000000, -0.0006493800000000 ] - [ -0.0000478600000000, -0.0001398000000000, -0.0004108100000000 ] - [ -0.0012059600000000, 0.0004854400000000, 0.0006559300000000 ] - [ 0.0007657900000000, -0.0001802800000000, 0.0018593900000000 ] - [ 0.0000576000000000, 0.0000253300000000, -0.0005703700000000 ] - [ 0.0003062400000000, -0.0000118200000000, 0.0001401700000000 ] - [ 0.0104838600000000, 0.0935137800000000, 0.1877908100000000 ] - [ -0.0004921500000000, 0.0001669200000000, -0.0004316500000000 ] - [ 0.0003161500000000, -0.0003739800000000, 0.0000412300000000 ] - [ 0.0063200000000000, 0.0101231500000000, -0.0041284200000000 ] - [ -0.0003085200000000, 0.0004815000000000, -0.0001218200000000 ] - [ 0.0020322200000000, 0.0005458200000000, 0.0000883600000000 ] - [ -0.0009970400000000, -0.0001405100000000, -0.0020927300000000 ] - [ -0.0007354500000000, -0.0004330300000000, 0.0003341500000000 ] - [ -0.0003272600000000, -0.0000238500000000, -0.0004909900000000 ] - [ 0.0002627600000000, -0.0000344400000000, -0.0002343300000000 ] - [ 0.0032995100000000, -0.0019287400000000, -0.0160265000000000 ] - [ 0.0090184100000000, -0.0100102800000000, 0.0059986100000000 ] - [ 0.0006213100000000, 0.0003423400000000, -0.0001580900000000 ] - [ 0.0003430600000000, 0.0000226500000000, -0.0000122500000000 ] - [ 0.0002805400000000, -0.0000113100000000, -0.0003248300000000 ] - [ 0.0002076000000000, -0.0000186300000000, -0.0012240300000000 ] - [ -0.0009371300000000, 0.0020533000000000, -0.0040743800000000 ] - [ -0.0001608800000000, 0.0002622400000000, -0.0004605700000000 ] - [ -0.0003084600000000, -0.0012438600000000, -0.0029486700000000 ] - [ -0.0003859500000000, -0.0000230200000000, -0.0001959500000000 ] - [ 0.0007500900000000, 0.0041984600000000, 0.0096311600000000 ] - [ -0.0003014800000000, -0.0000297800000000, -0.0008308400000000 ] - [ -0.0006073000000000, -0.0006575800000000, -0.0001630600000000 ] - [ -0.0000615100000000, -0.0000868400000000, 0.0000883000000000 ] - [ -0.0001840800000000, -0.0001525600000000, 0.0005546100000000 ] - [ 0.0002660300000000, 0.0001533300000000, 0.0001714100000000 ] - [ 0.0012398000000000, 0.0008301400000000, 0.0015192600000000 ] - [ 0.0000864900000000, -0.0002956500000000, -0.0001104200000000 ] - [ -0.0000123100000000, 0.0000366300000000, -0.0001317500000000 ] - [ 0.0009922100000000, 0.0007849700000000, 0.0094863300000000 ] - [ -0.0004025900000000, 0.0001561100000000, 0.0003892000000000 ] - [ -0.0093553100000000, -0.0053222100000000, -0.0036907900000000 ] - [ -0.0004084400000000, -0.0001568300000000, 0.0003789900000000 ] - [ 0.0025517200000000, -0.0014376800000000, -0.0037862700000000 ] - [ -0.0054923700000000, -0.0015530600000000, -0.0021594800000000 ] - [ -0.0000027500000000, 0.0000482700000000, 0.0000104700000000 ] - [ 0.0006796000000000, 0.0000380600000000, -0.0020412300000000 ] - [ 0.0002242500000000, -0.0002002800000000, -0.0000859700000000 ] - [ 0.0002345800000000, -0.0001640200000000, 0.0001726300000000 ] - [ 0.0001978300000000, 0.0003812700000000, -0.0000681800000000 ] - [ 0.0020118700000000, -0.0000428400000000, 0.0005109000000000 ] - [ -0.0005788500000000, -0.0006056000000000, 0.0005226100000000 ] - [ -0.0001102300000000, 0.0001561300000000, -0.0005594000000000 ] - [ -0.0006133000000000, 0.0001269900000000, -0.0002993300000000 ] - [ 0.0003582400000000, 0.0003732900000000, -0.0002381100000000 ] - [ 0.0002628700000000, 0.0000881500000000, 0.0000964300000000 ] - [ 0.0001954200000000, -0.0000422300000000, -0.0004610500000000 ] - [ 0.0012906700000000, -0.0003071300000000, -0.0037330000000000 ] - [ 0.0001101300000000, -0.0004725300000000, 0.0003605200000000 ] - [ 0.0004903800000000, -0.0001516400000000, -0.0002600400000000 ] - [ 0.0005969800000000, -0.0001554800000000, -0.0000949800000000 ] - [ 0.0000531600000000, 0.0002710800000000, -0.0000886800000000 ] - [ 0.0002467700000000, 0.0001706400000000, -0.0002079900000000 ] - [ 0.0003265100000000, 0.0000923700000000, -0.0001527100000000 ] - [ -0.0000755000000000, 0.0003954900000000, 0.0007713200000000 ] - [ -0.0000551900000000, -0.0003968800000000, 0.0001006100000000 ] - [ -0.0007127700000000, 0.0005631800000000, -0.0023186300000000 ] - [ 0.0001678400000000, 0.0000357600000000, 0.0002041800000000 ] - [ 0.0001946800000000, -0.0003873400000000, -0.0000666400000000 ] - [ -0.0000820700000000, -0.0003936800000000, 0.0007823700000000 ] - [ -0.0001958400000000, 0.0004837500000000, 0.0001343400000000 ] - [ -0.0015181700000000, 0.0000209300000000, -0.0010453100000000 ] - [ 0.0005511900000000, 0.0000204100000000, -0.0007107700000000 ] - [ 0.0002010500000000, -0.0003639400000000, -0.0002834700000000 ] - [ 0.0001061900000000, 0.0004788000000000, 0.0003401100000000 ] - [ -0.0001460800000000, 0.0001363100000000, -0.0001279400000000 ] - [ -0.0000118200000000, -0.0000533000000000, -0.0002032200000000 ] - [ 0.0001488400000000, 0.0002167700000000, -0.0003285900000000 ] - [ -0.0001795100000000, 0.0001665300000000, 0.0005849000000000 ]- atom: 77 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0015049800000000, -0.0002532200000000, -0.0025045200000000 ] - [ -0.0013160600000000, -0.0002137000000000, -0.0002744300000000 ] - [ 0.0007349000000000, -0.0001011600000000, 0.0001264300000000 ] - [ -0.0003178500000000, 0.0002396300000000, 0.0003317400000000 ] - [ -0.0005748800000000, 0.0001263600000000, -0.0003101500000000 ] - [ -0.0008198000000000, -0.0002952100000000, 0.0000737100000000 ] - [ -0.0005559000000000, -0.0001265900000000, -0.0003087500000000 ] - [ -0.0007497200000000, 0.0002878400000000, 0.0001091500000000 ] - [ 0.0043126100000000, 0.0007505300000000, -0.0018705200000000 ] - [ 0.0127835400000000, 0.0043332600000000, 0.0059004100000000 ] - [ -0.0026004200000000, 0.0004319300000000, 0.0001293800000000 ] - [ -0.0012779500000000, -0.0002258500000000, 0.0000161900000000 ] - [ -0.0016602100000000, 0.0000218000000000, -0.0003938600000000 ] - [ -0.0016818900000000, -0.0000195400000000, -0.0004046200000000 ] - [ -0.0025045300000000, 0.0005852500000000, -0.0005288300000000 ] - [ -0.0014933900000000, -0.0001636400000000, 0.0005174500000000 ] - [ -0.0011869300000000, -0.0002100900000000, 0.0007773300000000 ] - [ -0.0007935500000000, -0.0006946700000000, -0.0000462900000000 ] - [ -0.0006186600000000, 0.0006745900000000, 0.0005308200000000 ] - [ -0.0011422300000000, 0.0002373000000000, 0.0029902600000000 ] - [ -0.0037643800000000, -0.0024765600000000, 0.0053069300000000 ] - [ 0.1836199600000000, -0.0895272700000000, 0.0407012900000000 ] - [ 0.0152633000000000, 0.0086655200000000, -0.0082356500000000 ] - [ -0.0012325800000000, -0.0008778700000000, -0.0012166400000000 ] - [ 0.0010095500000000, -0.0001778900000000, -0.0014471200000000 ] - [ 0.0030072600000000, -0.0005587800000000, -0.0043303900000000 ] - [ -0.0056054400000000, 0.0018973100000000, 0.0058722900000000 ] - [ 0.0010315600000000, 0.0000036400000000, -0.0005423200000000 ] - [ 0.0083254400000000, -0.0017823200000000, 0.0010501100000000 ] - [ 0.0040307300000000, -0.0000896500000000, 0.0069983100000000 ] - [ -0.0016044800000000, -0.0001210000000000, -0.0010229800000000 ] - [ 0.0040747900000000, -0.0005106900000000, -0.0002478100000000 ] - [ -0.0012548100000000, -0.0001385800000000, -0.0002483300000000 ] - [ -0.0011363200000000, -0.0008211600000000, 0.0004803200000000 ] - [ -0.0002666700000000, 0.0006189600000000, 0.0001094900000000 ] - [ -0.0017004000000000, 0.0002401700000000, 0.0007205000000000 ] - [ -0.0018533000000000, -0.0003248900000000, -0.0001446500000000 ] - [ -0.0014360000000000, 0.0002859400000000, -0.0002460100000000 ] - [ -0.0012230000000000, -0.0004801400000000, -0.0003488700000000 ] - [ -0.0018807800000000, -0.0001653600000000, 0.0008706400000000 ] - [ -0.0018020900000000, 0.0003061900000000, 0.0000041000000000 ] - [ -0.0011859900000000, -0.0002604900000000, 0.0004561700000000 ] - [ -0.0015358600000000, 0.0003759700000000, 0.0002375100000000 ] - [ -0.0014335000000000, -0.0004085600000000, 0.0003311900000000 ] - [ -0.0012171700000000, 0.0004858400000000, -0.0003588000000000 ] - [ -0.0011643400000000, 0.0002684100000000, 0.0004111700000000 ] - [ -0.0014263600000000, 0.0001356900000000, -0.0000108900000000 ] - [ -0.0014107000000000, -0.0002767700000000, -0.0002334400000000 ] - [ 0.0005996500000000, 0.0002498700000000, 0.0004329100000000 ] - [ -0.0008708000000000, -0.0008996800000000, 0.0002142900000000 ] - [ -0.0038812800000000, -0.0036495500000000, -0.0039486800000000 ] - [ 0.0002839800000000, 0.0006197300000000, -0.0014634000000000 ] - [ -0.0006746100000000, 0.0011661600000000, 0.0029605700000000 ] - [ 0.0006421600000000, -0.0001401200000000, -0.0009357300000000 ] - [ 0.0101330500000000, -0.0098280300000000, -0.0027647800000000 ] - [ -0.0008864800000000, -0.0001797300000000, 0.0015673700000000 ] - [ 0.0008291600000000, -0.0000685900000000, -0.0001744700000000 ] - [ -0.0007011500000000, 0.0003227600000000, 0.0001778000000000 ] - [ 0.0005263500000000, 0.0002217500000000, -0.0006050800000000 ] - [ 0.0022617400000000, 0.0006087000000000, 0.0010303700000000 ] - [ 0.0009435300000000, -0.0004164600000000, 0.0006014300000000 ] - [ 0.0007135200000000, 0.0006329300000000, 0.0002227800000000 ] - [ -0.0010544900000000, -0.0001525500000000, -0.0014473300000000 ] - [ 0.0007282300000000, -0.0003107200000000, -0.0002861800000000 ] - [ -0.0057434200000000, -0.0084847800000000, -0.0084367400000000 ] - [ -0.0001396400000000, -0.0001332200000000, -0.0009845900000000 ] - [ 0.0006719000000000, -0.0000000900000000, -0.0006590100000000 ] - [ 0.0025238300000000, 0.0000874400000000, 0.0000855400000000 ] - [ -0.0004020000000000, -0.0000768900000000, -0.0009338500000000 ] - [ -0.0023085700000000, -0.0005949400000000, 0.0016811000000000 ] - [ -0.0010703900000000, 0.0003745100000000, -0.0000396800000000 ] - [ -0.0019073100000000, 0.0016033500000000, 0.0038843100000000 ] - [ -0.0020547700000000, 0.0014479400000000, 0.0001078900000000 ] - [ 0.0014724000000000, -0.0119175400000000, 0.0073591900000000 ] - [ 0.0006498400000000, 0.0001052000000000, 0.0003210400000000 ] - [ 0.0003314500000000, -0.0001898900000000, 0.0011697700000000 ] - [ -0.1971366800000000, 0.1123633500000000, -0.0367452900000000 ] - [ -0.0028393500000000, 0.0018983200000000, -0.0049128400000000 ] - [ -0.0013497400000000, -0.0006492400000000, -0.0001331900000000 ] - [ 0.0016975900000000, 0.0002129400000000, -0.0013446300000000 ] - [ -0.0018968200000000, -0.0006309000000000, -0.0005616200000000 ] - [ 0.0005273400000000, 0.0007339100000000, 0.0004818600000000 ] - [ -0.0182705800000000, -0.0048857000000000, 0.0025685500000000 ] - [ -0.0001012800000000, -0.0003310800000000, 0.0002125900000000 ] - [ 0.0008879800000000, 0.0005853100000000, -0.0011403000000000 ] - [ 0.0004465600000000, -0.0004901400000000, 0.0003467300000000 ] - [ 0.0005137600000000, -0.0006017600000000, 0.0012456600000000 ] - [ -0.0023855100000000, 0.0009318700000000, 0.0010856400000000 ] - [ 0.0000467300000000, 0.0000457000000000, -0.0001431300000000 ] - [ 0.0006745800000000, 0.0002532000000000, 0.0004188000000000 ] - [ -0.0038246800000000, 0.0011920700000000, -0.0021606600000000 ] - [ 0.0010494900000000, 0.0002378700000000, -0.0013563700000000 ] - [ -0.0023919600000000, -0.0001497600000000, 0.0027965400000000 ] - [ 0.0009777700000000, -0.0017681400000000, -0.0047486000000000 ] - [ 0.0070384800000000, 0.0010310500000000, -0.0049559200000000 ] - [ -0.0004995500000000, 0.0001097500000000, 0.0010411000000000 ] - [ 0.0000577700000000, 0.0002257000000000, -0.0003998900000000 ] - [ 0.0005148100000000, -0.0000323900000000, -0.0003530100000000 ] - [ 0.0002729300000000, -0.0001096500000000, 0.0000065300000000 ] - [ 0.0002165500000000, -0.0003311000000000, 0.0005810400000000 ] - [ 0.0010696500000000, -0.0002976000000000, -0.0000896800000000 ] - [ 0.0001767500000000, 0.0001403900000000, -0.0001825800000000 ] - [ 0.0008724800000000, -0.0007247000000000, -0.0003574000000000 ] - [ 0.0003659800000000, -0.0000682700000000, -0.0002424300000000 ] - [ 0.0006264000000000, -0.0001106100000000, 0.0002890600000000 ] - [ 0.0003798000000000, -0.0000723000000000, 0.0005741400000000 ] - [ 0.0004443500000000, 0.0002666000000000, -0.0004237600000000 ] - [ 0.0005701700000000, 0.0000724600000000, 0.0006568300000000 ] - [ 0.0009101900000000, -0.0005310700000000, 0.0004642300000000 ] - [ 0.0007735100000000, 0.0005084900000000, 0.0003866700000000 ] - [ 0.0005017500000000, 0.0000535400000000, -0.0002858800000000 ] - [ 0.0008480400000000, -0.0002284000000000, -0.0005112600000000 ] - [ 0.0007904900000000, 0.0001137700000000, 0.0000217800000000 ] - [ 0.0010301200000000, 0.0002699300000000, -0.0000699500000000 ] - [ 0.0006071100000000, 0.0003054500000000, -0.0001323700000000 ] - [ 0.0014715000000000, -0.0000157300000000, 0.0003474400000000 ] - [ 0.0000102200000000, -0.0002479800000000, -0.0003473900000000 ] - [ 0.0011728900000000, 0.0001943900000000, -0.0000476600000000 ] - [ 0.0005070100000000, -0.0003657000000000, -0.0003980200000000 ] - [ 0.0011112000000000, 0.0006275400000000, -0.0000044700000000 ] - [ 0.0007872100000000, -0.0001136200000000, 0.0000130300000000 ] - [ 0.0005111600000000, -0.0000545700000000, -0.0002910600000000 ] - [ 0.0008545800000000, 0.0000412200000000, -0.0001697000000000 ] - [ 0.0006309000000000, -0.0002919900000000, 0.0001894200000000 ] - [ 0.0010924100000000, -0.0003571900000000, -0.0001542100000000 ] - [ 0.0011872300000000, -0.0001912600000000, -0.0000335400000000 ] - [ 0.0008381000000000, 0.0007141300000000, -0.0003559400000000 ] - [ 0.0005444600000000, 0.0000178000000000, -0.0003372800000000 ] - [ 0.0010813000000000, 0.0003538300000000, -0.0001558500000000 ] - [ 0.0005790100000000, 0.0006829600000000, 0.0009644000000000 ] - [ 0.0004023600000000, -0.0003029000000000, -0.0000245300000000 ] - [ 0.0001570100000000, -0.0000747200000000, -0.0003556700000000 ] - [ 0.0007972800000000, 0.0002199500000000, -0.0003871700000000 ] - [ 0.0007236500000000, -0.0002229800000000, -0.0001693000000000 ] - [ 0.0007715600000000, -0.0007467300000000, 0.0008145600000000 ] - [ 0.0003959700000000, 0.0003031300000000, -0.0000266100000000 ] - [ 0.0012944900000000, 0.0000067400000000, 0.0002657500000000 ] - [ 0.0008559600000000, -0.0002293400000000, -0.0004353600000000 ] - [ 0.0011010900000000, -0.0006276700000000, -0.0000033300000000 ] - [ 0.0006685000000000, 0.0001959200000000, 0.0003538400000000 ] - [ 0.0002761300000000, 0.0001091700000000, 0.0000003000000000 ] - [ 0.0003687700000000, 0.0000798200000000, -0.0002198600000000 ] - [ 0.0005247000000000, 0.0003737800000000, -0.0003758000000000 ] - [ 0.0002139500000000, 0.0003151100000000, 0.0005031400000000 ]- atom: 77 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0012792300000000, 0.0004122200000000, 0.0018185200000000 ] - [ 0.0006296600000000, -0.0003049200000000, 0.0006073100000000 ] - [ -0.0007647000000000, -0.0001356600000000, -0.0007251800000000 ] - [ -0.0003684500000000, 0.0002784800000000, -0.0000000900000000 ] - [ 0.0005450600000000, 0.0001103900000000, -0.0002874000000000 ] - [ 0.0001338300000000, -0.0002233600000000, 0.0002583700000000 ] - [ 0.0005263000000000, -0.0001107200000000, -0.0002888500000000 ] - [ 0.0000640300000000, 0.0002301800000000, 0.0002232200000000 ] - [ -0.0040932500000000, -0.0004388100000000, 0.0011542100000000 ] - [ -0.0127043200000000, -0.0043649300000000, -0.0064030300000000 ] - [ 0.0024143600000000, 0.0000774300000000, 0.0000710900000000 ] - [ 0.0010898500000000, -0.0002834100000000, 0.0001838300000000 ] - [ 0.0018796100000000, 0.0002817800000000, -0.0003061200000000 ] - [ 0.0019012800000000, -0.0002838400000000, -0.0002954600000000 ] - [ 0.0023145400000000, -0.0000745000000000, 0.0007245200000000 ] - [ 0.0013082100000000, -0.0003447500000000, -0.0003142000000000 ] - [ 0.0011616600000000, 0.0001094900000000, -0.0008752600000000 ] - [ 0.0020517700000000, -0.0009209900000000, 0.0008740200000000 ] - [ 0.0018767400000000, 0.0009411300000000, 0.0002961000000000 ] - [ 0.0005704300000000, 0.0009114600000000, -0.0013134200000000 ] - [ 0.0045928400000000, 0.0024378300000000, -0.0056349200000000 ] - [ -0.1764478600000000, 0.0839765800000000, -0.0389462600000000 ] - [ -0.0148577500000000, -0.0088019600000000, 0.0079835400000000 ] - [ 0.0006693900000000, -0.0002795400000000, 0.0028715500000000 ] - [ -0.0001883000000000, 0.0002254200000000, 0.0011183200000000 ] - [ -0.0022711200000000, 0.0001269400000000, 0.0047086800000000 ] - [ 0.0056761700000000, -0.0012127600000000, -0.0058924700000000 ] - [ -0.0009546300000000, -0.0006970100000000, 0.0005033300000000 ] - [ -0.0079272700000000, 0.0019251000000000, -0.0012516000000000 ] - [ -0.0032962000000000, 0.0005302900000000, -0.0065947100000000 ] - [ 0.0015800800000000, 0.0002229400000000, 0.0009276300000000 ] - [ -0.0039571600000000, 0.0003389800000000, -0.0002166500000000 ] - [ 0.0012309200000000, 0.0000379600000000, 0.0001510300000000 ] - [ 0.0023912700000000, -0.0007958600000000, 0.0003477300000000 ] - [ 0.0015275800000000, 0.0009967900000000, 0.0007182700000000 ] - [ 0.0011297600000000, 0.0009088300000000, 0.0009455800000000 ] - [ 0.0026803600000000, 0.0002745500000000, -0.0001852600000000 ] - [ 0.0015446200000000, -0.0001178900000000, -0.0002214000000000 ] - [ 0.0016233800000000, 0.0003193700000000, 0.0001470500000000 ] - [ 0.0013102400000000, -0.0009838100000000, 0.0007953600000000 ] - [ 0.0026291200000000, -0.0002559400000000, -0.0003328400000000 ] - [ 0.0018811800000000, -0.0001785300000000, -0.0000777700000000 ] - [ 0.0016044300000000, 0.0003168500000000, -0.0002817500000000 ] - [ 0.0015020000000000, -0.0002842500000000, -0.0003753200000000 ] - [ 0.0016179000000000, -0.0003251800000000, 0.0001571000000000 ] - [ 0.0018593400000000, 0.0001706600000000, -0.0000329100000000 ] - [ 0.0014008700000000, -0.0000349800000000, -0.0000853900000000 ] - [ 0.0015191700000000, 0.0001087100000000, -0.0002339800000000 ] - [ -0.0016433500000000, 0.0000204800000000, -0.0011281000000000 ] - [ 0.0003061200000000, -0.0000344500000000, -0.0005346600000000 ] - [ 0.0035490500000000, 0.0034235200000000, 0.0039425000000000 ] - [ -0.0007611900000000, -0.0008831900000000, 0.0025973800000000 ] - [ 0.0009379100000000, -0.0007121100000000, -0.0025313900000000 ] - [ -0.0014861700000000, 0.0001950600000000, -0.0000375100000000 ] - [ -0.0100960100000000, 0.0092729200000000, 0.0026508700000000 ] - [ 0.0007472600000000, 0.0003070000000000, -0.0018973700000000 ] - [ -0.0003505600000000, 0.0001174100000000, 0.0005128900000000 ] - [ -0.0003613500000000, 0.0000557700000000, 0.0005231100000000 ] - [ -0.0006204700000000, -0.0001051000000000, -0.0003671100000000 ] - [ -0.0032983300000000, -0.0009798900000000, -0.0003241700000000 ] - [ -0.0002781600000000, -0.0008878300000000, 0.0002098300000000 ] - [ -0.0000477500000000, 0.0006711000000000, 0.0005891400000000 ] - [ 0.0011180700000000, 0.0002426100000000, 0.0010252300000000 ] - [ -0.0008226500000000, 0.0001943400000000, -0.0006865800000000 ] - [ 0.0059919200000000, 0.0080104200000000, 0.0083092800000000 ] - [ 0.0004144300000000, -0.0003098000000000, 0.0013906500000000 ] - [ -0.0004088500000000, 0.0008006800000000, 0.0005436400000000 ] - [ -0.0023119300000000, -0.0001372200000000, -0.0002081500000000 ] - [ -0.0006400200000000, -0.0001932400000000, 0.0002402300000000 ] - [ 0.0025798500000000, 0.0008828300000000, -0.0024027000000000 ] - [ 0.0003969200000000, -0.0004064000000000, -0.0005110700000000 ] - [ 0.0021721100000000, -0.0009476100000000, -0.0045028100000000 ] - [ 0.0023895000000000, -0.0010895200000000, -0.0000982800000000 ] - [ -0.0014395500000000, 0.0119640700000000, -0.0077973600000000 ] - [ -0.0001710200000000, -0.0001537500000000, 0.0000169400000000 ] - [ -0.0002686800000000, -0.0008254700000000, -0.0004438000000000 ] - [ 0.1913136800000000, -0.1069085100000000, 0.0340984700000000 ] - [ 0.0031221100000000, -0.0021800700000000, 0.0042061200000000 ] - [ 0.0012653600000000, 0.0010905500000000, 0.0000061800000000 ] - [ -0.0022595400000000, 0.0007003300000000, 0.0010204200000000 ] - [ 0.0025182800000000, 0.0008084800000000, 0.0001313600000000 ] - [ -0.0008937300000000, -0.0000348000000000, 0.0010402100000000 ] - [ 0.0176121900000000, 0.0039290600000000, -0.0022498600000000 ] - [ -0.0007408100000000, 0.0002773000000000, -0.0011870400000000 ] - [ -0.0005008600000000, -0.0006721300000000, 0.0006170700000000 ] - [ -0.0001869200000000, -0.0003130500000000, -0.0004559000000000 ] - [ -0.0008823700000000, -0.0000956500000000, 0.0002798500000000 ] - [ 0.0019818100000000, -0.0000119800000000, -0.0008008300000000 ] - [ 0.0001691000000000, 0.0000016400000000, 0.0000214300000000 ] - [ -0.0002865000000000, -0.0001675700000000, -0.0009444800000000 ] - [ 0.0041374300000000, -0.0018508900000000, 0.0015645900000000 ] - [ -0.0009807100000000, 0.0007770200000000, 0.0020710000000000 ] - [ 0.0020721600000000, 0.0003867300000000, -0.0028244800000000 ] - [ -0.0010841300000000, 0.0016260000000000, 0.0044036500000000 ] - [ -0.0077825800000000, -0.0009910300000000, 0.0044305400000000 ] - [ 0.0000210300000000, 0.0001587600000000, 0.0001032800000000 ] - [ -0.0011001500000000, 0.0000437900000000, -0.0002939700000000 ] - [ -0.0010828600000000, -0.0009037500000000, 0.0000308400000000 ] - [ -0.0006028300000000, -0.0001256400000000, -0.0000490600000000 ] - [ -0.0006907200000000, 0.0000577100000000, 0.0005665700000000 ] - [ -0.0007920200000000, 0.0007385900000000, 0.0005042400000000 ] - [ -0.0010193800000000, -0.0000860500000000, -0.0007909700000000 ] - [ -0.0009521100000000, 0.0002804200000000, 0.0002313600000000 ] - [ -0.0004960300000000, 0.0001907800000000, -0.0000737400000000 ] - [ -0.0001484700000000, 0.0001593700000000, 0.0000500000000000 ] - [ -0.0014369300000000, 0.0004482500000000, 0.0001302000000000 ] - [ -0.0005394700000000, -0.0001501700000000, -0.0005490100000000 ] - [ -0.0016270900000000, -0.0004478700000000, 0.0000476500000000 ] - [ -0.0002441900000000, -0.0007728500000000, 0.0003482400000000 ] - [ -0.0001082600000000, 0.0007957700000000, 0.0004242300000000 ] - [ -0.0004359500000000, 0.0000330500000000, -0.0001452300000000 ] - [ -0.0009400900000000, 0.0001118300000000, -0.0004614100000000 ] - [ -0.0004553500000000, -0.0004721800000000, -0.0000115600000000 ] - [ -0.0007521900000000, -0.0007105600000000, 0.0004846300000000 ] - [ -0.0003451600000000, 0.0004969200000000, 0.0000202800000000 ] - [ -0.0012578500000000, -0.0000310500000000, -0.0004691800000000 ] - [ -0.0010531000000000, -0.0000214500000000, -0.0003467400000000 ] - [ -0.0008910700000000, 0.0000908200000000, -0.0006593800000000 ] - [ -0.0011814300000000, 0.0003345100000000, -0.0001520800000000 ] - [ -0.0007802500000000, 0.0000376000000000, -0.0005882500000000 ] - [ -0.0004522700000000, 0.0004724300000000, -0.0000025600000000 ] - [ -0.0004454900000000, -0.0000316600000000, -0.0001395500000000 ] - [ -0.0003748700000000, -0.0000899100000000, 0.0005065400000000 ] - [ -0.0005658300000000, -0.0007241900000000, 0.0005335200000000 ] - [ -0.0004689800000000, 0.0001791700000000, -0.0002758200000000 ] - [ -0.0009058300000000, -0.0000939100000000, -0.0006733600000000 ] - [ -0.0009175600000000, -0.0002697800000000, 0.0002292200000000 ] - [ -0.0011123700000000, 0.0009182800000000, 0.0000152700000000 ] - [ -0.0004577800000000, -0.0001757000000000, -0.0002743200000000 ] - [ -0.0009454200000000, 0.0000156600000000, 0.0005596100000000 ] - [ -0.0007994000000000, -0.0006151000000000, 0.0003003400000000 ] - [ -0.0009998200000000, 0.0000208600000000, -0.0006188900000000 ] - [ -0.0004104300000000, -0.0003071500000000, -0.0001364300000000 ] - [ -0.0004619800000000, -0.0005795800000000, 0.0000575600000000 ] - [ -0.0011382400000000, 0.0000482000000000, 0.0007092300000000 ] - [ -0.0007932700000000, 0.0006148900000000, 0.0003022800000000 ] - [ -0.0010810500000000, 0.0000406400000000, -0.0003885300000000 ] - [ -0.0004687600000000, 0.0003164100000000, -0.0000889500000000 ] - [ -0.0007699400000000, -0.0000375600000000, -0.0005889200000000 ] - [ -0.0006034400000000, 0.0008203900000000, 0.0003687000000000 ] - [ -0.0006066700000000, 0.0001266600000000, -0.0000431600000000 ] - [ -0.0004988000000000, -0.0002021700000000, -0.0000960800000000 ] - [ -0.0011990900000000, -0.0003425400000000, -0.0001741000000000 ] - [ -0.0006880600000000, -0.0000417000000000, 0.0006444400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000366200000000, 0.0015362200000000, 0.0000671300000000 ] - [ 0.0000659300000000, -0.0002614800000000, 0.0002955800000000 ] - [ -0.0002429400000000, -0.0001051600000000, -0.0004822000000000 ] - [ -0.0003552500000000, 0.0002689600000000, 0.0001031300000000 ] - [ 0.0001797000000000, 0.0001155700000000, -0.0002929700000000 ] - [ -0.0001768300000000, -0.0002463800000000, 0.0002029900000000 ] - [ 0.0001701800000000, -0.0001158300000000, -0.0002975000000000 ] - [ -0.0002045400000000, 0.0002499000000000, 0.0001800000000000 ] - [ -0.0013586600000000, 0.0000551600000000, 0.0001541000000000 ] - [ -0.0076047800000000, 0.0045016400000000, 0.0022894100000000 ] - [ 0.0008031900000000, 0.0001802800000000, 0.0000974400000000 ] - [ 0.0003064600000000, -0.0002599100000000, 0.0001141300000000 ] - [ 0.0007228600000000, 0.0001967500000000, -0.0003356300000000 ] - [ 0.0007253400000000, -0.0001975500000000, -0.0003284800000000 ] - [ 0.0007054300000000, 0.0001355600000000, 0.0003707700000000 ] - [ 0.0004139900000000, -0.0002910700000000, -0.0001185100000000 ] - [ 0.0004201200000000, 0.0000087900000000, -0.0003380900000000 ] - [ 0.0011130600000000, -0.0008394600000000, 0.0005856600000000 ] - [ 0.0010630900000000, 0.0008541400000000, 0.0003642800000000 ] - [ 0.0003518800000000, 0.0006320400000000, 0.0000878600000000 ] - [ 0.0011418200000000, 0.0009397400000000, -0.0019003700000000 ] - [ -0.0739197600000000, 0.0733383400000000, -0.0181535000000000 ] - [ -0.0060414100000000, -0.0103402000000000, 0.0061114300000000 ] - [ -0.0001712800000000, -0.0003398900000000, 0.0015209900000000 ] - [ 0.0003231300000000, 0.0000161900000000, 0.0003014400000000 ] - [ -0.0022943600000000, -0.0026422600000000, 0.0017332400000000 ] - [ 0.0022704500000000, -0.0009717600000000, -0.0010402400000000 ] - [ -0.0003262900000000, -0.0002741000000000, -0.0001657300000000 ] - [ -0.0039316200000000, 0.0002326700000000, 0.0019649700000000 ] - [ 0.0006110300000000, 0.0029189100000000, -0.0032172200000000 ] - [ 0.0004076300000000, 0.0000638400000000, 0.0002412500000000 ] - [ -0.0013373800000000, 0.0001447900000000, -0.0005243000000000 ] - [ 0.0003969500000000, -0.0000231000000000, 0.0000143800000000 ] - [ 0.0012797700000000, -0.0007807800000000, 0.0004673600000000 ] - [ 0.0008869800000000, 0.0008753300000000, 0.0004509100000000 ] - [ 0.0001983200000000, 0.0006882300000000, 0.0008705200000000 ] - [ 0.0011892500000000, 0.0000784200000000, -0.0001657100000000 ] - [ 0.0005677600000000, 0.0000159800000000, -0.0002272800000000 ] - [ 0.0006923700000000, 0.0000585300000000, -0.0000134000000000 ] - [ 0.0002692900000000, -0.0007189700000000, 0.0008201000000000 ] - [ 0.0011867700000000, -0.0000714500000000, -0.0002305600000000 ] - [ 0.0008764800000000, -0.0002048000000000, 0.0000966900000000 ] - [ 0.0005770700000000, 0.0003364600000000, -0.0001082900000000 ] - [ 0.0005412000000000, -0.0003230000000000, -0.0001466100000000 ] - [ 0.0006871300000000, -0.0000587800000000, -0.0000132800000000 ] - [ 0.0008679400000000, 0.0002010800000000, 0.0001129700000000 ] - [ 0.0004999700000000, 0.0000182100000000, -0.0000511600000000 ] - [ 0.0005594800000000, -0.0000184000000000, -0.0002352300000000 ] - [ -0.0007811500000000, 0.0000365600000000, -0.0005705900000000 ] - [ -0.0000379500000000, -0.0002787300000000, -0.0002719300000000 ] - [ 0.0025246900000000, 0.0034491900000000, 0.0034568600000000 ] - [ -0.0009733700000000, -0.0001058400000000, 0.0010650000000000 ] - [ 0.0007919400000000, -0.0002003400000000, -0.0008942900000000 ] - [ -0.0007800800000000, 0.0000910200000000, -0.0003475300000000 ] - [ -0.0030906200000000, 0.0022668900000000, 0.0004561400000000 ] - [ 0.0008921500000000, 0.0000734100000000, 0.0002764200000000 ] - [ 0.0000297900000000, 0.0000578000000000, 0.0002953800000000 ] - [ -0.0003910400000000, 0.0000649300000000, 0.0005073900000000 ] - [ -0.0002459000000000, 0.0000024000000000, -0.0004377200000000 ] - [ -0.0015512700000000, -0.0004308200000000, 0.0000015200000000 ] - [ 0.0001174700000000, -0.0007415300000000, 0.0003212200000000 ] - [ 0.0002005900000000, 0.0006568600000000, 0.0004736500000000 ] - [ 0.0005825400000000, 0.0004178800000000, 0.0002647200000000 ] - [ -0.0003073800000000, 0.0000294700000000, -0.0005675100000000 ] - [ -0.0096909300000000, 0.0116931300000000, 0.0072327600000000 ] - [ -0.0001868300000000, -0.0008896500000000, 0.0006939200000000 ] - [ -0.0001278600000000, 0.0005794300000000, 0.0001791500000000 ] - [ -0.0008685900000000, -0.0001206500000000, -0.0001000400000000 ] - [ -0.0005617000000000, -0.0001519700000000, -0.0001315700000000 ] - [ 0.0010074000000000, 0.0002562200000000, -0.0010578700000000 ] - [ -0.0001298600000000, -0.0001363100000000, -0.0003527100000000 ] - [ 0.0053254100000000, 0.0017036100000000, 0.0045810600000000 ] - [ 0.0009336600000000, -0.0000656200000000, 0.0001073200000000 ] - [ -0.0075906300000000, 0.0158696500000000, -0.0077232300000000 ] - [ 0.0001098800000000, -0.0000664000000000, 0.0001121000000000 ] - [ -0.0000269500000000, -0.0006211800000000, 0.0001043700000000 ] - [ 0.1083363700000000, -0.1161544600000000, 0.0087247700000000 ] - [ 0.0013881700000000, -0.0017753500000000, 0.0008363100000000 ] - [ 0.0003425200000000, 0.0005198200000000, 0.0001666800000000 ] - [ -0.0011077700000000, 0.0025924300000000, -0.0004523700000000 ] - [ 0.0010340000000000, 0.0002645900000000, -0.0000680600000000 ] - [ -0.0005462300000000, 0.0001857900000000, 0.0008613200000000 ] - [ -0.0050835600000000, 0.0121042900000000, -0.0099553800000000 ] - [ -0.0005240400000000, 0.0000787800000000, -0.0007024600000000 ] - [ -0.0000665500000000, -0.0002779200000000, 0.0000391300000000 ] - [ 0.0000757800000000, -0.0003641100000000, -0.0002250000000000 ] - [ -0.0003542300000000, -0.0002953300000000, 0.0006044100000000 ] - [ 0.0005638900000000, 0.0004412900000000, -0.0003870900000000 ] - [ 0.0001266500000000, 0.0000211500000000, -0.0000307500000000 ] - [ 0.0000598800000000, 0.0000386600000000, -0.0004513400000000 ] - [ 0.0016924100000000, -0.0010533800000000, 0.0004537600000000 ] - [ -0.0002962600000000, 0.0006498400000000, 0.0008197100000000 ] - [ 0.0002685700000000, 0.0027778600000000, -0.0000985900000000 ] - [ 0.0005924400000000, -0.0011843600000000, 0.0005606000000000 ] - [ -0.0027949300000000, -0.0018507600000000, 0.0008477200000000 ] - [ -0.0001267500000000, 0.0002197100000000, 0.0005460400000000 ] - [ -0.0007273100000000, 0.0001010100000000, -0.0003298600000000 ] - [ -0.0005625000000000, -0.0006204300000000, -0.0000921200000000 ] - [ -0.0003150900000000, -0.0001194500000000, -0.0000306100000000 ] - [ -0.0003936100000000, -0.0000686500000000, 0.0005684000000000 ] - [ -0.0001829100000000, 0.0003996000000000, 0.0003088700000000 ] - [ -0.0006179500000000, -0.0000120400000000, -0.0005945100000000 ] - [ -0.0003556900000000, -0.0000483900000000, 0.0000384800000000 ] - [ -0.0002142600000000, 0.0001055000000000, -0.0001278300000000 ] - [ 0.0001163100000000, 0.0000661900000000, 0.0001356600000000 ] - [ -0.0008411300000000, 0.0002776800000000, 0.0002776200000000 ] - [ -0.0002003800000000, -0.0000034200000000, -0.0004891900000000 ] - [ -0.0009113300000000, -0.0002767100000000, 0.0002436000000000 ] - [ 0.0001274300000000, -0.0007089700000000, 0.0003561300000000 ] - [ 0.0001875600000000, 0.0006890600000000, 0.0004440700000000 ] - [ -0.0001289000000000, 0.0000400700000000, -0.0001903600000000 ] - [ -0.0003655600000000, 0.0000136400000000, -0.0005001000000000 ] - [ -0.0000481000000000, -0.0002812700000000, -0.0000024200000000 ] - [ -0.0001669900000000, -0.0003879700000000, 0.0003021000000000 ] - [ -0.0000326000000000, 0.0004342300000000, -0.0000279500000000 ] - [ -0.0003629600000000, -0.0000263800000000, -0.0002071000000000 ] - [ -0.0007004600000000, -0.0000965000000000, -0.0003469400000000 ] - [ -0.0002172600000000, 0.0001248300000000, -0.0004595500000000 ] - [ -0.0006317200000000, 0.0001069900000000, -0.0002288100000000 ] - [ -0.0001610500000000, 0.0002303200000000, -0.0003975000000000 ] - [ -0.0000465600000000, 0.0002806300000000, 0.0000028000000000 ] - [ -0.0001325100000000, -0.0000390700000000, -0.0001918100000000 ] - [ 0.0000193600000000, -0.0000585200000000, 0.0002755500000000 ] - [ -0.0001754100000000, -0.0005819500000000, 0.0004226000000000 ] - [ 0.0000423600000000, 0.0000036000000000, -0.0002370700000000 ] - [ -0.0002188300000000, -0.0001265100000000, -0.0004633200000000 ] - [ -0.0003437800000000, 0.0000516400000000, 0.0000387700000000 ] - [ -0.0005690900000000, 0.0006232500000000, -0.0001019500000000 ] - [ 0.0000458100000000, -0.0000024500000000, -0.0002352500000000 ] - [ -0.0004408300000000, 0.0002356800000000, 0.0006932100000000 ] - [ -0.0004057400000000, -0.0005124600000000, 0.0001937800000000 ] - [ -0.0006343900000000, -0.0000096400000000, -0.0005309700000000 ] - [ -0.0000095100000000, -0.0001323800000000, -0.0002201100000000 ] - [ -0.0000756900000000, -0.0004637700000000, -0.0000188900000000 ] - [ -0.0005171300000000, -0.0002093700000000, 0.0007453800000000 ] - [ -0.0004047700000000, 0.0005133900000000, 0.0001956200000000 ] - [ -0.0003049300000000, 0.0000288800000000, -0.0001688200000000 ] - [ -0.0000420200000000, 0.0001413500000000, -0.0002011600000000 ] - [ -0.0001578700000000, -0.0002301400000000, -0.0003972300000000 ] - [ -0.0001857200000000, 0.0006150100000000, 0.0003629600000000 ] - [ -0.0003186800000000, 0.0001207600000000, -0.0000290400000000 ] - [ -0.0002149500000000, -0.0001094600000000, -0.0001365000000000 ] - [ -0.0006333100000000, -0.0001075100000000, -0.0002429900000000 ] - [ -0.0003934600000000, 0.0000747200000000, 0.0005985200000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000311700000000, -0.0012920800000000, -0.0006771200000000 ] - [ -0.0007491500000000, -0.0002571900000000, 0.0000390200000000 ] - [ 0.0002133000000000, -0.0001307300000000, -0.0001187600000000 ] - [ -0.0003298800000000, 0.0002490000000000, 0.0002278600000000 ] - [ -0.0002079400000000, 0.0001210500000000, -0.0003047300000000 ] - [ -0.0005075200000000, -0.0002722300000000, 0.0001293700000000 ] - [ -0.0001983800000000, -0.0001215100000000, -0.0003002800000000 ] - [ -0.0004800200000000, 0.0002680600000000, 0.0001522500000000 ] - [ 0.0015700400000000, 0.0002453500000000, -0.0008605700000000 ] - [ 0.0074481600000000, -0.0043922500000000, -0.0024765500000000 ] - [ -0.0009818800000000, 0.0003285300000000, 0.0001031700000000 ] - [ -0.0004896100000000, -0.0002490000000000, 0.0000846600000000 ] - [ -0.0004983300000000, 0.0001072200000000, -0.0003636600000000 ] - [ -0.0005006500000000, -0.0001064500000000, -0.0003707500000000 ] - [ -0.0008847500000000, 0.0003724100000000, -0.0001695100000000 ] - [ -0.0005968400000000, -0.0002186700000000, 0.0003175100000000 ] - [ -0.0004381700000000, -0.0001082100000000, 0.0002395500000000 ] - [ 0.0001493500000000, -0.0007767500000000, 0.0002435800000000 ] - [ 0.0001999200000000, 0.0007623000000000, 0.0004628800000000 ] - [ -0.0009238000000000, 0.0005202500000000, 0.0015701900000000 ] - [ -0.0003067700000000, -0.0009933100000000, 0.0015625400000000 ] - [ 0.0773955300000000, -0.0746567600000000, 0.0185937200000000 ] - [ 0.0065133200000000, 0.0101616900000000, -0.0062967400000000 ] - [ -0.0003952000000000, -0.0008108200000000, 0.0001506800000000 ] - [ 0.0005047100000000, 0.0000341600000000, -0.0006329800000000 ] - [ 0.0029808300000000, 0.0022171300000000, -0.0013473500000000 ] - [ -0.0021830400000000, 0.0016570600000000, 0.0009663800000000 ] - [ 0.0003896800000000, -0.0004189500000000, 0.0001266300000000 ] - [ 0.0043317100000000, -0.0001011400000000, -0.0021746500000000 ] - [ 0.0000678000000000, -0.0025186800000000, 0.0035792300000000 ] - [ -0.0004303400000000, 0.0000368900000000, -0.0003366000000000 ] - [ 0.0014326800000000, -0.0003080300000000, 0.0000573100000000 ] - [ -0.0004167900000000, -0.0000774700000000, -0.0001103300000000 ] - [ -0.0000158700000000, -0.0008358100000000, 0.0003597700000000 ] - [ 0.0003746000000000, 0.0007413100000000, 0.0003781700000000 ] - [ -0.0007652300000000, 0.0004627400000000, 0.0007949300000000 ] - [ -0.0003545400000000, -0.0001280600000000, -0.0001651400000000 ] - [ -0.0004550300000000, 0.0001521700000000, -0.0002397100000000 ] - [ -0.0002886400000000, -0.0002178900000000, -0.0001878800000000 ] - [ -0.0008355200000000, -0.0004325800000000, 0.0008454300000000 ] - [ -0.0003524500000000, 0.0001209200000000, -0.0001004500000000 ] - [ -0.0001775900000000, -0.0002327400000000, 0.0002807700000000 ] - [ -0.0005040300000000, 0.0003547200000000, 0.0000635400000000 ] - [ -0.0004682800000000, -0.0003682000000000, 0.0001017000000000 ] - [ -0.0002830700000000, 0.0002178100000000, -0.0001876700000000 ] - [ -0.0001693100000000, 0.0002362700000000, 0.0002643200000000 ] - [ -0.0005196700000000, 0.0000823600000000, -0.0000458200000000 ] - [ -0.0004466600000000, -0.0001500000000000, -0.0002320700000000 ] - [ -0.0002619500000000, 0.0002316800000000, -0.0001239900000000 ] - [ -0.0005309700000000, -0.0006586800000000, -0.0000483300000000 ] - [ -0.0028419900000000, -0.0036460400000000, -0.0034543700000000 ] - [ 0.0005005400000000, -0.0001695100000000, 0.0000876000000000 ] - [ -0.0005132500000000, 0.0006399300000000, 0.0012987200000000 ] - [ -0.0000661300000000, -0.0000375000000000, -0.0006272100000000 ] - [ 0.0029887200000000, -0.0026853700000000, -0.0005555000000000 ] - [ -0.0010206200000000, 0.0000480600000000, -0.0005989300000000 ] - [ 0.0004462300000000, -0.0000085400000000, 0.0000436400000000 ] - [ -0.0006652400000000, 0.0003102200000000, 0.0001970700000000 ] - [ 0.0001488800000000, 0.0001133800000000, -0.0005343900000000 ] - [ 0.0004890400000000, 0.0000529300000000, 0.0007012300000000 ] - [ 0.0005455700000000, -0.0005636600000000, 0.0004892400000000 ] - [ 0.0004629400000000, 0.0006474700000000, 0.0003386000000000 ] - [ -0.0005214300000000, -0.0003265200000000, -0.0006819900000000 ] - [ 0.0002102700000000, -0.0001451300000000, -0.0004063900000000 ] - [ 0.0102735700000000, -0.0122139300000000, -0.0073582200000000 ] - [ 0.0004703000000000, 0.0004569100000000, -0.0002768300000000 ] - [ 0.0003884000000000, 0.0002232100000000, -0.0002903400000000 ] - [ 0.0010727200000000, 0.0000731800000000, -0.0000243800000000 ] - [ -0.0004834700000000, -0.0001173400000000, -0.0005611300000000 ] - [ -0.0007303100000000, 0.0000226000000000, 0.0003517500000000 ] - [ -0.0005452700000000, 0.0001059400000000, -0.0001961600000000 ] - [ -0.0050290800000000, -0.0010911200000000, -0.0052099700000000 ] - [ -0.0005898100000000, 0.0004183000000000, -0.0000961300000000 ] - [ 0.0074534500000000, -0.0157806200000000, 0.0072253500000000 ] - [ 0.0003674500000000, 0.0000175400000000, 0.0002256400000000 ] - [ 0.0000903100000000, -0.0003951300000000, 0.0006163900000000 ] - [ -0.1108789900000000, 0.1172287900000000, -0.0105887700000000 ] - [ -0.0010998200000000, 0.0014821900000000, -0.0015569300000000 ] - [ -0.0004181400000000, -0.0000735700000000, -0.0002937000000000 ] - [ 0.0005243600000000, -0.0016308800000000, 0.0001268000000000 ] - [ -0.0004055700000000, -0.0000854300000000, -0.0003595200000000 ] - [ 0.0001784400000000, 0.0005120100000000, 0.0006638700000000 ] - [ 0.0048958300000000, -0.0131732000000000, 0.0104533500000000 ] - [ -0.0003199500000000, -0.0001321700000000, -0.0002722800000000 ] - [ 0.0004487200000000, 0.0001883200000000, -0.0005604000000000 ] - [ 0.0001844100000000, -0.0004374800000000, 0.0001110800000000 ] - [ -0.0000150700000000, -0.0004026400000000, 0.0009178900000000 ] - [ -0.0009578000000000, 0.0004771300000000, 0.0006596200000000 ] - [ 0.0000860300000000, 0.0000258900000000, -0.0000910600000000 ] - [ 0.0003263600000000, 0.0000490300000000, -0.0000731000000000 ] - [ -0.0013575400000000, 0.0003856400000000, -0.0010377100000000 ] - [ 0.0003574700000000, 0.0003657000000000, -0.0000896200000000 ] - [ -0.0006175100000000, -0.0025121800000000, 0.0000596300000000 ] - [ -0.0007449800000000, 0.0010731700000000, -0.0008445000000000 ] - [ 0.0021134800000000, 0.0018556200000000, -0.0014019200000000 ] - [ -0.0003474400000000, 0.0000512500000000, 0.0005962000000000 ] - [ -0.0003183700000000, 0.0001679200000000, -0.0003640300000000 ] - [ -0.0000089800000000, -0.0003179200000000, -0.0002289200000000 ] - [ -0.0000163000000000, -0.0001156800000000, -0.0000121700000000 ] - [ -0.0000824700000000, -0.0002033500000000, 0.0005778500000000 ] - [ 0.0004582300000000, 0.0000422800000000, 0.0001053500000000 ] - [ -0.0002271100000000, 0.0000654400000000, -0.0003808600000000 ] - [ 0.0002720900000000, -0.0003938100000000, -0.0001628500000000 ] - [ 0.0000824300000000, 0.0000167300000000, -0.0001871100000000 ] - [ 0.0003605900000000, -0.0000169700000000, 0.0002017800000000 ] - [ -0.0002190100000000, 0.0000986700000000, 0.0004261600000000 ] - [ 0.0001039100000000, 0.0001190900000000, -0.0004841900000000 ] - [ -0.0001488800000000, -0.0000992200000000, 0.0004600000000000 ] - [ 0.0005355900000000, -0.0005954600000000, 0.0004556100000000 ] - [ 0.0004759800000000, 0.0006156900000000, 0.0003671000000000 ] - [ 0.0001930400000000, 0.0000465600000000, -0.0002409000000000 ] - [ 0.0002683000000000, -0.0001297700000000, -0.0004725700000000 ] - [ 0.0003808700000000, -0.0000787200000000, 0.0000117500000000 ] - [ 0.0004427700000000, -0.0000535800000000, 0.0001122200000000 ] - [ 0.0002926400000000, 0.0003680300000000, -0.0000844300000000 ] - [ 0.0005715700000000, -0.0000204300000000, 0.0000836900000000 ] - [ -0.0003451700000000, -0.0001723600000000, -0.0003476700000000 ] - [ 0.0004954300000000, 0.0001601700000000, -0.0002487700000000 ] - [ -0.0000463800000000, -0.0001365700000000, -0.0003204300000000 ] - [ 0.0004883500000000, 0.0004333500000000, -0.0001965600000000 ] - [ 0.0003791300000000, 0.0000796300000000, 0.0000067400000000 ] - [ 0.0001964500000000, -0.0000473500000000, -0.0002389000000000 ] - [ 0.0004571100000000, 0.0000097900000000, 0.0000635600000000 ] - [ 0.0002380100000000, -0.0004343900000000, 0.0003015500000000 ] - [ 0.0005783300000000, -0.0001805000000000, -0.0001935400000000 ] - [ 0.0004965000000000, -0.0001586400000000, -0.0002449400000000 ] - [ 0.0002604100000000, 0.0003904900000000, -0.0001638000000000 ] - [ -0.0000025100000000, 0.0003150000000000, -0.0002190900000000 ] - [ 0.0005750200000000, 0.0001793400000000, -0.0001954800000000 ] - [ 0.0000720300000000, 0.0004620800000000, 0.0008305400000000 ] - [ 0.0000062600000000, -0.0004064400000000, 0.0000830900000000 ] - [ -0.0002107900000000, -0.0000439700000000, -0.0004438900000000 ] - [ 0.0003937500000000, 0.0000440600000000, -0.0003034800000000 ] - [ 0.0003353000000000, -0.0003388900000000, -0.0000933700000000 ] - [ 0.0001473300000000, -0.0004882200000000, 0.0007781700000000 ] - [ 0.0000050600000000, 0.0004053900000000, 0.0000811400000000 ] - [ 0.0005148300000000, 0.0000184600000000, 0.0000450600000000 ] - [ 0.0004260100000000, -0.0000531900000000, -0.0003227100000000 ] - [ 0.0004852600000000, -0.0004335000000000, -0.0001963600000000 ] - [ 0.0002484500000000, 0.0004013200000000, 0.0003606200000000 ] - [ -0.0000133900000000, 0.0001147400000000, -0.0000139700000000 ] - [ 0.0000831700000000, -0.0000127600000000, -0.0001782600000000 ] - [ -0.0000449100000000, 0.0001369200000000, -0.0003063000000000 ] - [ -0.0000826200000000, 0.0001971500000000, 0.0005478100000000 ]- atom: 77 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0018509500000000, 0.0004172600000000, 0.0018873100000000 ] - [ -0.0003422500000000, -0.0002397200000000, 0.0007739200000000 ] - [ 0.0003009500000000, -0.0001136900000000, -0.0011209400000000 ] - [ -0.0004175700000000, 0.0002911900000000, -0.0002629400000000 ] - [ -0.0000396700000000, 0.0001184300000000, -0.0002897300000000 ] - [ -0.0003588200000000, -0.0002583900000000, 0.0001883500000000 ] - [ -0.0000548100000000, -0.0001196100000000, -0.0003092000000000 ] - [ -0.0003793200000000, 0.0002635000000000, 0.0001355200000000 ] - [ 0.0002784600000000, 0.0001331600000000, -0.0061560400000000 ] - [ -0.0026299300000000, 0.0074439200000000, 0.0175810200000000 ] - [ 0.0004751900000000, 0.0001877800000000, 0.0003309900000000 ] - [ -0.0007724200000000, -0.0002761800000000, -0.0001570900000000 ] - [ 0.0000146900000000, 0.0001424800000000, -0.0003640500000000 ] - [ -0.0000036400000000, -0.0001453900000000, -0.0003423900000000 ] - [ -0.0003646900000000, 0.0002376200000000, 0.0003956200000000 ] - [ -0.0000749300000000, -0.0002896500000000, -0.0002210300000000 ] - [ 0.0004092600000000, 0.0000368500000000, -0.0005372100000000 ] - [ 0.0004188700000000, -0.0007401000000000, 0.0007230200000000 ] - [ 0.0006502700000000, 0.0008387500000000, 0.0001041100000000 ] - [ 0.0009864100000000, 0.0010880100000000, 0.0006338900000000 ] - [ 0.0034558800000000, 0.0004152100000000, -0.0011170400000000 ] - [ 0.0365689300000000, -0.0232451400000000, 0.0478951300000000 ] - [ -0.0022772900000000, 0.0043753300000000, -0.0045513100000000 ] - [ -0.0015902500000000, -0.0000688100000000, 0.0008489000000000 ] - [ -0.0023730400000000, 0.0004188300000000, -0.0014199400000000 ] - [ -0.0053348600000000, -0.0006724900000000, -0.0018829400000000 ] - [ 0.0001246600000000, 0.0009759400000000, 0.0037617000000000 ] - [ 0.0001912800000000, 0.0000219100000000, -0.0022278800000000 ] - [ -0.0005189800000000, 0.0012750000000000, -0.0055197500000000 ] - [ 0.0039913200000000, 0.0001164400000000, -0.0045152400000000 ] - [ -0.0008957400000000, 0.0001586500000000, 0.0002686600000000 ] - [ 0.0018661000000000, -0.0004730200000000, -0.0052586200000000 ] - [ -0.0001917800000000, -0.0000645900000000, -0.0000855300000000 ] - [ 0.0008437100000000, -0.0008382100000000, 0.0007898800000000 ] - [ 0.0002924200000000, 0.0007905600000000, 0.0000473700000000 ] - [ -0.0005132000000000, 0.0004791800000000, 0.0008263400000000 ] - [ 0.0002435200000000, -0.0000417200000000, -0.0001261700000000 ] - [ -0.0000331600000000, 0.0000961400000000, -0.0002130300000000 ] - [ 0.0001242500000000, -0.0001006200000000, -0.0001062100000000 ] - [ -0.0002370800000000, -0.0006254200000000, 0.0008337300000000 ] - [ 0.0003175400000000, 0.0000435600000000, -0.0001932900000000 ] - [ 0.0002819200000000, -0.0002278900000000, 0.0001856900000000 ] - [ -0.0000333500000000, 0.0003729900000000, 0.0000799600000000 ] - [ -0.0000743400000000, -0.0003306400000000, -0.0000861000000000 ] - [ 0.0001100200000000, 0.0001075200000000, -0.0001250900000000 ] - [ 0.0002349900000000, 0.0002180000000000, 0.0002214200000000 ] - [ 0.0000116300000000, 0.0000464100000000, -0.0000234400000000 ] - [ -0.0000319000000000, -0.0000944500000000, -0.0002546400000000 ] - [ 0.0000760500000000, 0.0001398900000000, -0.0006454900000000 ] - [ 0.0002241400000000, -0.0004114200000000, 0.0005826700000000 ] - [ 0.0002871700000000, 0.0013240500000000, 0.0024722000000000 ] - [ -0.0009375200000000, 0.0005919600000000, -0.0006365800000000 ] - [ 0.0014284600000000, -0.0010027400000000, -0.0008321300000000 ] - [ -0.0007274400000000, 0.0000711400000000, -0.0004105900000000 ] - [ 0.0019135400000000, -0.0021844200000000, -0.0019126900000000 ] - [ 0.0007203300000000, -0.0008084000000000, 0.0029823300000000 ] - [ 0.0000713600000000, 0.0000603400000000, 0.0003668200000000 ] - [ -0.0002624200000000, -0.0000500200000000, 0.0008169400000000 ] - [ -0.0000412100000000, 0.0000906500000000, -0.0002294000000000 ] - [ -0.0005196700000000, -0.0003897700000000, -0.0000570900000000 ] - [ 0.0003075600000000, -0.0007851500000000, 0.0001101100000000 ] - [ 0.0004089500000000, 0.0005197500000000, 0.0006614400000000 ] - [ -0.0006192600000000, 0.0002254400000000, 0.0027226600000000 ] - [ 0.0000527200000000, -0.0000581400000000, -0.0007742300000000 ] - [ -0.0138081400000000, 0.0081289500000000, -0.0038408500000000 ] - [ -0.0013116600000000, -0.0012513800000000, 0.0016465200000000 ] - [ -0.0001034000000000, 0.0004730500000000, 0.0001070800000000 ] - [ -0.0011358100000000, -0.0000548800000000, -0.0005854100000000 ] - [ -0.0007073400000000, -0.0001291100000000, 0.0000195800000000 ] - [ 0.0019712700000000, -0.0001587900000000, 0.0019292800000000 ] - [ 0.0001200500000000, 0.0000107200000000, 0.0004471300000000 ] - [ 0.0110619900000000, 0.0030913400000000, 0.0088738800000000 ] - [ 0.0004298400000000, -0.0006590100000000, 0.0027009400000000 ] - [ 0.0035108400000000, -0.0036188900000000, -0.0044204000000000 ] - [ 0.0005004000000000, 0.0000447100000000, -0.0000293200000000 ] - [ 0.0002945900000000, -0.0004461100000000, 0.0005679400000000 ] - [ -0.0320579600000000, 0.0076979400000000, -0.0657173200000000 ] - [ -0.0007464300000000, -0.0013047500000000, 0.0027454000000000 ] - [ -0.0006670800000000, -0.0000753100000000, 0.0008583000000000 ] - [ -0.0024487200000000, 0.0020774600000000, -0.0008477000000000 ] - [ -0.0000008600000000, -0.0000460100000000, 0.0012078700000000 ] - [ -0.0005271200000000, 0.0001854600000000, 0.0007808800000000 ] - [ 0.0082957400000000, -0.0057641600000000, -0.0005304800000000 ] - [ -0.0001067400000000, -0.0000946800000000, -0.0002983100000000 ] - [ -0.0001761100000000, -0.0002572900000000, 0.0000826700000000 ] - [ 0.0004266400000000, -0.0003302100000000, -0.0002305100000000 ] - [ 0.0002285700000000, -0.0005355300000000, 0.0007903200000000 ] - [ -0.0016556200000000, 0.0014905000000000, 0.0027735300000000 ] - [ 0.0009749100000000, -0.0000423800000000, 0.0006301900000000 ] - [ 0.0008769100000000, -0.0001317300000000, -0.0004419600000000 ] - [ -0.0008483100000000, -0.0006991500000000, 0.0013236200000000 ] - [ -0.0002242700000000, 0.0005061600000000, 0.0000838700000000 ] - [ 0.0013071700000000, 0.0006806900000000, 0.0031013000000000 ] - [ -0.0039561700000000, 0.0013232500000000, -0.0000913000000000 ] - [ -0.0027773300000000, -0.0006286200000000, -0.0007663100000000 ] - [ 0.0001702300000000, 0.0009489600000000, 0.0018344700000000 ] - [ -0.0005142200000000, 0.0001335700000000, -0.0003507700000000 ] - [ -0.0002446800000000, -0.0004474700000000, -0.0001610900000000 ] - [ -0.0001346100000000, -0.0001155300000000, -0.0000196800000000 ] - [ -0.0002004700000000, -0.0001416600000000, 0.0005259900000000 ] - [ 0.0001596700000000, 0.0002158400000000, 0.0001950400000000 ] - [ -0.0003381400000000, 0.0000331200000000, -0.0004851000000000 ] - [ 0.0000095900000000, -0.0002581400000000, -0.0000957300000000 ] - [ -0.0000432900000000, 0.0000503900000000, -0.0001516100000000 ] - [ 0.0003183400000000, -0.0000082200000000, 0.0002034600000000 ] - [ -0.0004071200000000, 0.0001776300000000, 0.0004326500000000 ] - [ 0.0000658200000000, 0.0001312500000000, -0.0003816500000000 ] - [ -0.0005432300000000, -0.0001673900000000, 0.0002952300000000 ] - [ 0.0003245700000000, -0.0007131200000000, 0.0002476600000000 ] - [ 0.0003967500000000, 0.0005801600000000, 0.0005581000000000 ] - [ 0.0000615200000000, 0.0000450800000000, -0.0002091200000000 ] - [ -0.0000813500000000, 0.0000014000000000, -0.0005946100000000 ] - [ 0.0002039300000000, -0.0001645200000000, -0.0000063700000000 ] - [ 0.0002245900000000, -0.0001657500000000, 0.0001873500000000 ] - [ 0.0002035100000000, 0.0003763300000000, -0.0000196000000000 ] - [ 0.0001939800000000, -0.0000257800000000, -0.0000669400000000 ] - [ -0.0004635500000000, -0.0001476300000000, -0.0003466700000000 ] - [ 0.0001949000000000, 0.0001430400000000, -0.0003377400000000 ] - [ -0.0002965300000000, -0.0000315200000000, -0.0002656200000000 ] - [ 0.0002129800000000, 0.0003469200000000, -0.0002829000000000 ] - [ 0.0002038300000000, 0.0001589200000000, 0.0000186700000000 ] - [ 0.0000610700000000, -0.0000430500000000, -0.0002287500000000 ] - [ 0.0002145800000000, -0.0000436600000000, 0.0001233400000000 ] - [ 0.0000454800000000, -0.0004770400000000, 0.0004097100000000 ] - [ 0.0003575800000000, -0.0001055800000000, -0.0002160600000000 ] - [ 0.0002095900000000, -0.0001474800000000, -0.0003327700000000 ] - [ 0.0000159700000000, 0.0002457500000000, -0.0000655100000000 ] - [ -0.0002271800000000, 0.0004360800000000, -0.0001822000000000 ] - [ 0.0003562500000000, 0.0001036800000000, -0.0002052600000000 ] - [ 0.0000289800000000, 0.0004168200000000, 0.0007608400000000 ] - [ -0.0001611800000000, -0.0004461300000000, 0.0001216900000000 ] - [ -0.0004367900000000, -0.0000297900000000, -0.0004616500000000 ] - [ 0.0002596200000000, -0.0000154100000000, -0.0002769500000000 ] - [ 0.0001189400000000, -0.0004150900000000, -0.0001000500000000 ] - [ -0.0002911400000000, -0.0003188500000000, 0.0007913500000000 ] - [ -0.0001667200000000, 0.0004534600000000, 0.0001331400000000 ] - [ 0.0001709400000000, 0.0000193100000000, -0.0000116100000000 ] - [ 0.0002008100000000, 0.0000399200000000, -0.0002643300000000 ] - [ 0.0002286700000000, -0.0003542600000000, -0.0002751800000000 ] - [ 0.0000936300000000, 0.0005060700000000, 0.0003000500000000 ] - [ -0.0001438000000000, 0.0001192600000000, -0.0000218000000000 ] - [ -0.0000359600000000, -0.0000573400000000, -0.0001749400000000 ] - [ -0.0002763600000000, 0.0000420900000000, -0.0002971000000000 ] - [ -0.0002209600000000, 0.0001550700000000, 0.0006175500000000 ]- atom: 77 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0017804600000000, -0.0001905800000000, -0.0024964100000000 ] - [ -0.0003416400000000, -0.0002788800000000, -0.0004412100000000 ] - [ -0.0003321100000000, -0.0001248800000000, 0.0005239700000000 ] - [ -0.0002671400000000, 0.0002265000000000, 0.0005960900000000 ] - [ 0.0000122800000000, 0.0001181600000000, -0.0003076200000000 ] - [ -0.0003248500000000, -0.0002599300000000, 0.0001446000000000 ] - [ 0.0000273100000000, -0.0001176900000000, -0.0002883000000000 ] - [ -0.0003050100000000, 0.0002542300000000, 0.0001969900000000 ] - [ -0.0000698600000000, 0.0001652300000000, 0.0054825800000000 ] - [ 0.0025094800000000, -0.0073258300000000, -0.0180186300000000 ] - [ -0.0006540100000000, 0.0003210300000000, -0.0001307800000000 ] - [ 0.0005934700000000, -0.0002326500000000, 0.0003578700000000 ] - [ 0.0002130000000000, 0.0001616200000000, -0.0003356900000000 ] - [ 0.0002314500000000, -0.0001587300000000, -0.0003572200000000 ] - [ 0.0001902300000000, 0.0002689300000000, -0.0001890500000000 ] - [ -0.0001078000000000, -0.0002210900000000, 0.0004174100000000 ] - [ -0.0004295500000000, -0.0001373300000000, 0.0004402500000000 ] - [ 0.0008452800000000, -0.0008762000000000, 0.0001049200000000 ] - [ 0.0006132800000000, 0.0007774600000000, 0.0007239000000000 ] - [ -0.0015546700000000, 0.0000630100000000, 0.0010141900000000 ] - [ -0.0026227900000000, -0.0004619800000000, 0.0007836900000000 ] - [ -0.0367090400000000, 0.0235568300000000, -0.0489414000000000 ] - [ 0.0026858800000000, -0.0046146500000000, 0.0043070800000000 ] - [ 0.0010179000000000, -0.0010746400000000, 0.0008350800000000 ] - [ 0.0032152600000000, -0.0003689000000000, 0.0010956900000000 ] - [ 0.0059954900000000, 0.0002520400000000, 0.0023222600000000 ] - [ -0.0000110200000000, -0.0003028300000000, -0.0038567300000000 ] - [ -0.0001328200000000, -0.0007118200000000, 0.0021814900000000 ] - [ 0.0008891600000000, -0.0010788300000000, 0.0053321100000000 ] - [ -0.0033258700000000, 0.0003373900000000, 0.0048638200000000 ] - [ 0.0008773700000000, -0.0000584500000000, -0.0003654300000000 ] - [ -0.0017709100000000, 0.0003039800000000, 0.0047931700000000 ] - [ 0.0001717300000000, -0.0000356900000000, -0.0000103900000000 ] - [ 0.0004244100000000, -0.0007773200000000, 0.0000368100000000 ] - [ 0.0009670300000000, 0.0008263500000000, 0.0007809100000000 ] - [ -0.0000511400000000, 0.0006719000000000, 0.0008403200000000 ] - [ 0.0005932500000000, -0.0000072700000000, -0.0002031500000000 ] - [ 0.0001487900000000, 0.0000709300000000, -0.0002545100000000 ] - [ 0.0002825800000000, -0.0000584200000000, -0.0000947000000000 ] - [ -0.0003276200000000, -0.0005257400000000, 0.0008327300000000 ] - [ 0.0005189700000000, 0.0000055200000000, -0.0001372200000000 ] - [ 0.0004203400000000, -0.0002105600000000, 0.0001917500000000 ] - [ 0.0001082400000000, 0.0003189900000000, -0.0001257600000000 ] - [ 0.0001492600000000, -0.0003615300000000, 0.0000406100000000 ] - [ 0.0002969600000000, 0.0000511000000000, -0.0000754100000000 ] - [ 0.0004672800000000, 0.0002204000000000, 0.0001556400000000 ] - [ -0.0000298800000000, 0.0000538000000000, -0.0000745200000000 ] - [ 0.0001474500000000, -0.0000729400000000, -0.0002128100000000 ] - [ -0.0011220000000000, 0.0001295200000000, -0.0000479000000000 ] - [ -0.0007953500000000, -0.0005250800000000, -0.0009077300000000 ] - [ -0.0006042100000000, -0.0015590400000000, -0.0025231800000000 ] - [ 0.0004588400000000, -0.0008703300000000, 0.0017999300000000 ] - [ -0.0011400800000000, 0.0014229300000000, 0.0012125900000000 ] - [ -0.0001183200000000, -0.0000177100000000, -0.0005638700000000 ] - [ -0.0020754900000000, 0.0018160400000000, 0.0018139600000000 ] - [ -0.0008339500000000, 0.0009219700000000, -0.0032822200000000 ] - [ 0.0004050300000000, -0.0000110400000000, -0.0000288300000000 ] - [ -0.0007882800000000, 0.0004226500000000, -0.0001081200000000 ] - [ -0.0000560200000000, 0.0000256300000000, -0.0007430000000000 ] - [ -0.0005568100000000, 0.0000085600000000, 0.0007558200000000 ] - [ 0.0003552800000000, -0.0005191700000000, 0.0007020000000000 ] - [ 0.0002541600000000, 0.0007845900000000, 0.0001505100000000 ] - [ 0.0006883500000000, -0.0001425800000000, -0.0031545900000000 ] - [ -0.0001502500000000, -0.0000582000000000, -0.0001978500000000 ] - [ 0.0142072500000000, -0.0086275300000000, 0.0038541000000000 ] - [ 0.0015932300000000, 0.0008110500000000, -0.0012296000000000 ] - [ 0.0003625000000000, 0.0003316300000000, -0.0002143300000000 ] - [ 0.0013397100000000, 0.0000084300000000, 0.0004622900000000 ] - [ -0.0003374400000000, -0.0001402700000000, -0.0007133600000000 ] - [ -0.0017008000000000, 0.0004488700000000, -0.0026524500000000 ] - [ -0.0007966300000000, -0.0000424900000000, -0.0009990500000000 ] - [ -0.0105673200000000, -0.0023277900000000, -0.0092784700000000 ] - [ -0.0000904800000000, 0.0010191400000000, -0.0026954900000000 ] - [ -0.0034454600000000, 0.0035659300000000, 0.0039964000000000 ] - [ -0.0000244300000000, -0.0000940200000000, 0.0003673600000000 ] - [ -0.0002293100000000, -0.0005712900000000, 0.0001486700000000 ] - [ 0.0330778600000000, -0.0083956800000000, 0.0654700800000000 ] - [ 0.0010221600000000, 0.0010054800000000, -0.0034110300000000 ] - [ 0.0005932000000000, 0.0005229000000000, -0.0009823000000000 ] - [ 0.0018684100000000, -0.0011209100000000, 0.0005240300000000 ] - [ 0.0006293300000000, 0.0002253600000000, -0.0016389800000000 ] - [ 0.0001574800000000, 0.0005112300000000, 0.0007460900000000 ] - [ -0.0085996500000000, 0.0047762900000000, 0.0007482700000000 ] - [ -0.0007390300000000, 0.0000418700000000, -0.0006774200000000 ] - [ 0.0005608400000000, 0.0001692200000000, -0.0006052700000000 ] - [ -0.0001644200000000, -0.0004700600000000, 0.0001137800000000 ] - [ -0.0005963500000000, -0.0001633300000000, 0.0007298800000000 ] - [ 0.0012682000000000, -0.0005733900000000, -0.0025071800000000 ] - [ -0.0007678400000000, 0.0000894300000000, -0.0007551800000000 ] - [ -0.0004942200000000, 0.0002195200000000, -0.0000819100000000 ] - [ 0.0012037800000000, 0.0000276000000000, -0.0019132400000000 ] - [ 0.0002830100000000, 0.0005115300000000, 0.0006533400000000 ] - [ -0.0016637200000000, -0.0004314000000000, -0.0031716800000000 ] - [ 0.0038660200000000, -0.0014295900000000, -0.0002093600000000 ] - [ 0.0020961000000000, 0.0006543100000000, 0.0002165200000000 ] - [ -0.0006396500000000, -0.0006708000000000, -0.0006852600000000 ] - [ -0.0005315200000000, 0.0001359400000000, -0.0003426400000000 ] - [ -0.0003271300000000, -0.0004906800000000, -0.0001596400000000 ] - [ -0.0001974300000000, -0.0001200900000000, -0.0000237300000000 ] - [ -0.0002761000000000, -0.0001307100000000, 0.0006214600000000 ] - [ 0.0001142400000000, 0.0002268800000000, 0.0002206700000000 ] - [ -0.0005074800000000, 0.0000197900000000, -0.0004908700000000 ] - [ -0.0000938000000000, -0.0001838200000000, -0.0000285100000000 ] - [ -0.0000889300000000, 0.0000724800000000, -0.0001639000000000 ] - [ 0.0001589200000000, 0.0000576600000000, 0.0001325700000000 ] - [ -0.0006543200000000, 0.0001995200000000, 0.0002705400000000 ] - [ -0.0001615400000000, -0.0000147800000000, -0.0005907600000000 ] - [ -0.0005179000000000, -0.0002093500000000, 0.0004083000000000 ] - [ 0.0003377200000000, -0.0005909700000000, 0.0005640000000000 ] - [ 0.0002669800000000, 0.0007238900000000, 0.0002545300000000 ] - [ 0.0000018900000000, 0.0000415800000000, -0.0002206500000000 ] - [ -0.0000178200000000, -0.0001180800000000, -0.0003773100000000 ] - [ 0.0001279400000000, -0.0001953800000000, 0.0000164100000000 ] - [ 0.0000491900000000, -0.0002771700000000, 0.0002283200000000 ] - [ 0.0000561400000000, 0.0004258800000000, -0.0000924800000000 ] - [ 0.0000116500000000, -0.0000207300000000, -0.0000569900000000 ] - [ -0.0005817300000000, -0.0001216800000000, -0.0003477500000000 ] - [ 0.0000818000000000, 0.0001414500000000, -0.0003709200000000 ] - [ -0.0003820200000000, 0.0000017600000000, -0.0002836700000000 ] - [ 0.0001130200000000, 0.0003166900000000, -0.0003114900000000 ] - [ 0.0001278900000000, 0.0002012600000000, -0.0000084200000000 ] - [ 0.0000020000000000, -0.0000433900000000, -0.0002004500000000 ] - [ 0.0002606600000000, -0.0000052000000000, 0.0002165400000000 ] - [ 0.0000165100000000, -0.0005401700000000, 0.0003136400000000 ] - [ 0.0002614800000000, -0.0000708300000000, -0.0002142800000000 ] - [ 0.0000665900000000, -0.0001371300000000, -0.0003759800000000 ] - [ -0.0000999800000000, 0.0001961900000000, -0.0000595200000000 ] - [ -0.0003448600000000, 0.0005020100000000, -0.0001387100000000 ] - [ 0.0002629900000000, 0.0000727400000000, -0.0002252300000000 ] - [ -0.0003993200000000, 0.0002803000000000, 0.0007625500000000 ] - [ -0.0002392100000000, -0.0004729900000000, 0.0001552400000000 ] - [ -0.0004090100000000, -0.0000234600000000, -0.0005127600000000 ] - [ 0.0001241300000000, -0.0000728000000000, -0.0002464100000000 ] - [ 0.0001405200000000, -0.0003874400000000, -0.0000114600000000 ] - [ -0.0000789600000000, -0.0003784200000000, 0.0007318800000000 ] - [ -0.0002338900000000, 0.0004655400000000, 0.0001436800000000 ] - [ 0.0000368000000000, 0.0000277600000000, -0.0001120600000000 ] - [ 0.0001821600000000, 0.0000483200000000, -0.0002590000000000 ] - [ 0.0000975000000000, -0.0003095500000000, -0.0003187500000000 ] - [ -0.0000317700000000, 0.0005111100000000, 0.0004230700000000 ] - [ -0.0001889800000000, 0.0001167900000000, -0.0000218300000000 ] - [ -0.0000962600000000, -0.0000654800000000, -0.0001402500000000 ] - [ -0.0004023400000000, -0.0000124400000000, -0.0002524500000000 ] - [ -0.0002555300000000, 0.0001171700000000, 0.0005297100000000 ]- atom: 82 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ -0.0006436900000000, 0.0001364400000000, -0.0002486500000000 ] - [ -0.0008241700000000, -0.0002929300000000, 0.0001094300000000 ] - [ -0.0005803500000000, -0.0001252600000000, -0.0003602500000000 ] - [ -0.0008257300000000, 0.0002960200000000, 0.0000610600000000 ] - [ -0.0009573000000000, 0.0001526900000000, -0.0008552700000000 ] - [ -0.0003332000000000, -0.0003186300000000, -0.0009355100000000 ] - [ -0.0003010900000000, -0.0001177100000000, 0.0001925000000000 ] - [ -0.0002390300000000, 0.0003541900000000, 0.0014958400000000 ] - [ -0.0023178200000000, -0.0002094100000000, -0.0009573800000000 ] - [ -0.0014444200000000, -0.0001883600000000, 0.0000001300000000 ] - [ -0.0021009500000000, 0.0003579700000000, 0.0000919800000000 ] - [ -0.0021744800000000, -0.0003631900000000, 0.0000816100000000 ] - [ -0.0027023900000000, 0.0000459500000000, -0.0000346300000000 ] - [ -0.0010313000000000, -0.0000078400000000, -0.0007833400000000 ] - [ 0.0051217400000000, -0.0001920300000000, -0.0024987800000000 ] - [ 0.0148978600000000, -0.0031467000000000, 0.0036205100000000 ] - [ -0.0014510100000000, -0.0001400100000000, -0.0001725900000000 ] - [ -0.0008355300000000, -0.0006833200000000, 0.0002366000000000 ] - [ -0.0008136900000000, 0.0006895700000000, 0.0002204500000000 ] - [ 0.1459328000000000, 0.0812215200000000, 0.0329394000000000 ] - [ -0.0019014500000000, -0.0003095000000000, -0.0000222200000000 ] - [ -0.0010174000000000, 0.0004101400000000, 0.0020647300000000 ] - [ -0.0017913700000000, -0.0004366400000000, -0.0001725200000000 ] - [ 0.0039928600000000, -0.0007646100000000, 0.0005682100000000 ] - [ -0.0021933000000000, 0.0003747700000000, -0.0001162000000000 ] - [ 0.0012381600000000, -0.0004844500000000, -0.0003309900000000 ] - [ 0.0036590000000000, 0.0006979500000000, 0.0075336300000000 ] - [ 0.0027947900000000, 0.0000758800000000, -0.0050748400000000 ] - [ -0.0009554500000000, 0.0005701500000000, -0.0005236800000000 ] - [ -0.0056478200000000, -0.0007677600000000, 0.0056500800000000 ] - [ -0.0015147400000000, 0.0001515400000000, -0.0001284900000000 ] - [ -0.0009392300000000, 0.0003976900000000, -0.0023832200000000 ] - [ 0.0017312200000000, -0.0001807400000000, 0.0007242800000000 ] - [ 0.0138209300000000, -0.0139030600000000, -0.0093349000000000 ] - [ 0.0076023800000000, 0.0017976800000000, 0.0010113900000000 ] - [ -0.0019728700000000, 0.0001538200000000, 0.0007887500000000 ] - [ 0.0003998200000000, -0.0000422900000000, -0.0008661200000000 ] - [ -0.0014381300000000, 0.0002811400000000, -0.0005062300000000 ] - [ -0.0019101800000000, -0.0007018900000000, -0.0009123600000000 ] - [ -0.0019052900000000, -0.0001855700000000, 0.0007908600000000 ] - [ -0.0038674900000000, -0.0004937400000000, 0.0016928300000000 ] - [ -0.0012065900000000, -0.0002522200000000, 0.0005068700000000 ] - [ -0.0016328700000000, 0.0003892500000000, 0.0002677600000000 ] - [ -0.0016400200000000, -0.0003996800000000, 0.0003651500000000 ] - [ -0.0008366900000000, 0.0003020900000000, 0.0001856300000000 ] - [ -0.0014506400000000, 0.0002791000000000, 0.0004113800000000 ] - [ -0.0064745400000000, 0.0011776000000000, -0.0060733000000000 ] - [ -0.0017101700000000, -0.0003266200000000, 0.0000213200000000 ] - [ 0.0001027600000000, 0.0002506000000000, -0.0003940100000000 ] - [ 0.0006452400000000, 0.0000435600000000, -0.0003332600000000 ] - [ 0.0002429300000000, -0.0000803300000000, -0.0000142100000000 ] - [ 0.0014836700000000, 0.0018679800000000, -0.0047253900000000 ] - [ -0.0011562200000000, 0.0011419800000000, 0.0001223500000000 ] - [ 0.0002192200000000, 0.0001158500000000, -0.0002507800000000 ] - [ -0.0002466600000000, -0.0004327800000000, -0.0014835400000000 ] - [ -0.0002875900000000, 0.0000587600000000, 0.0003360600000000 ] - [ 0.0007759400000000, -0.0000989900000000, 0.0000760900000000 ] - [ -0.0034869500000000, -0.0008761900000000, 0.0046134500000000 ] - [ 0.0006783300000000, 0.0002851900000000, -0.0004426200000000 ] - [ -0.0053140700000000, -0.0020113700000000, -0.0015809300000000 ] - [ 0.0008877300000000, -0.0005029200000000, 0.0004121600000000 ] - [ 0.0008935200000000, 0.0004909700000000, 0.0004339600000000 ] - [ 0.0004518600000000, 0.0000971000000000, -0.0000874900000000 ] - [ 0.0006850800000000, -0.0002861400000000, -0.0004647500000000 ] - [ 0.0011646200000000, 0.0000659500000000, -0.0016166000000000 ] - [ 0.0104175100000000, 0.0093122100000000, -0.0023141000000000 ] - [ -0.0177858700000000, 0.0050254800000000, 0.0024007600000000 ] - [ 0.0014487500000000, -0.0000139300000000, 0.0003053100000000 ] - [ 0.0000720400000000, -0.0002471600000000, -0.0003564200000000 ] - [ 0.0015086600000000, 0.0001248000000000, -0.0000149100000000 ] - [ 0.0006317200000000, -0.0004204300000000, -0.0003576300000000 ] - [ 0.0000606400000000, 0.0001634500000000, -0.0005189100000000 ] - [ 0.0005815400000000, -0.0002530000000000, 0.0009559800000000 ] - [ 0.0006626400000000, 0.0000132800000000, -0.0005320300000000 ] - [ 0.0007990500000000, 0.0001053000000000, 0.0000574600000000 ] - [ -0.0021430800000000, -0.0016514100000000, 0.0011497200000000 ] - [ 0.0010229000000000, -0.0004517200000000, -0.0005457500000000 ] - [ 0.0011042200000000, -0.0002399500000000, -0.0000041700000000 ] - [ -0.0006528600000000, -0.0009464400000000, 0.0029770900000000 ] - [ 0.0005685300000000, 0.0000028300000000, -0.0003911600000000 ] - [ 0.0010116300000000, 0.0002599300000000, 0.0002072200000000 ] - [ -0.1642989000000000, -0.1035602700000000, -0.0193707900000000 ] - [ 0.0004699700000000, -0.0000173100000000, -0.0005650200000000 ] - [ 0.0002514700000000, -0.0001141200000000, -0.0002472200000000 ] - [ 0.0008646700000000, 0.0002395300000000, -0.0004100800000000 ] - [ -0.0020212400000000, -0.0009718600000000, 0.0007107900000000 ] - [ -0.0027127600000000, 0.0008133800000000, 0.0002982200000000 ] - [ 0.0002577600000000, 0.0005529300000000, 0.0005039700000000 ] - [ 0.0015605200000000, 0.0000039800000000, 0.0003860900000000 ] - [ 0.0009159800000000, -0.0002670600000000, -0.0004446300000000 ] - [ 0.0028478900000000, -0.0013622800000000, 0.0006691300000000 ] - [ -0.0063071200000000, 0.0090446200000000, -0.0088378400000000 ] - [ 0.0003980200000000, 0.0001581700000000, 0.0000228100000000 ] - [ 0.0005178100000000, -0.0008410500000000, -0.0021737600000000 ] - [ 0.0005538000000000, 0.0003861000000000, -0.0004256900000000 ] - [ -0.0010827500000000, 0.0003268900000000, 0.0023394300000000 ] - [ 0.0014209300000000, 0.0015631700000000, 0.0004189200000000 ] - [ 0.0011212900000000, 0.0003869200000000, -0.0009954000000000 ] - [ 0.0000690100000000, -0.0001858100000000, -0.0000996900000000 ] - [ 0.0002699600000000, -0.0003555200000000, 0.0005602900000000 ] - [ 0.0010951700000000, -0.0003131600000000, -0.0000941900000000 ] - [ -0.0011282900000000, -0.0000947600000000, -0.0003788200000000 ] - [ 0.0009221200000000, -0.0007553500000000, -0.0003583200000000 ] - [ 0.0003980300000000, -0.0000745000000000, -0.0002949100000000 ] - [ -0.0009125800000000, 0.0003285300000000, -0.0005750700000000 ] - [ 0.0005766800000000, -0.0000953100000000, 0.0006358200000000 ] - [ -0.0023477400000000, -0.0018215000000000, -0.0035002400000000 ] - [ 0.0005713500000000, 0.0001037400000000, 0.0006461100000000 ] - [ -0.0011235900000000, 0.0014588500000000, 0.0028475500000000 ] - [ -0.0033742700000000, 0.0049884200000000, -0.0026435900000000 ] - [ 0.0005769100000000, 0.0000231600000000, -0.0008252000000000 ] - [ -0.0029802800000000, 0.0014901600000000, 0.0023156800000000 ] - [ 0.0009393800000000, 0.0002842300000000, 0.0002292400000000 ] - [ 0.0011859100000000, 0.0003557100000000, -0.0001241800000000 ] - [ 0.0007248400000000, 0.0002491700000000, -0.0001625800000000 ] - [ -0.0004238300000000, 0.0001393800000000, 0.0009052200000000 ] - [ -0.0010109700000000, 0.0000278200000000, -0.0006765900000000 ] - [ 0.0018566500000000, 0.0002961100000000, 0.0002124900000000 ] - [ 0.0014034900000000, -0.0005435800000000, -0.0012942200000000 ] - [ 0.0010337500000000, 0.0006468700000000, 0.0000189000000000 ] - [ 0.0007619900000000, 0.0000028600000000, -0.0001984500000000 ] - [ 0.0005515300000000, -0.0000838700000000, 0.0002308200000000 ] - [ 0.0034350400000000, 0.0127061100000000, 0.0056108200000000 ] - [ 0.0007063000000000, -0.0002153600000000, 0.0002632000000000 ] - [ 0.0010744700000000, -0.0003460300000000, 0.0000109200000000 ] - [ 0.0006171300000000, -0.0001325900000000, -0.0002746600000000 ] - [ 0.0009646100000000, 0.0007812400000000, -0.0004120600000000 ] - [ -0.0001035400000000, 0.0004121600000000, 0.0001100700000000 ] - [ 0.0012674700000000, 0.0004220600000000, -0.0003070300000000 ] - [ 0.0007686600000000, 0.0007595000000000, 0.0009064100000000 ] - [ 0.0003004000000000, -0.0003901700000000, 0.0000793200000000 ] - [ 0.0103681700000000, -0.0004602100000000, -0.0010832500000000 ] - [ -0.0002246100000000, -0.0001585400000000, -0.0003578600000000 ] - [ 0.0007084800000000, -0.0002527100000000, -0.0001598100000000 ] - [ 0.0007370700000000, -0.0007475300000000, 0.0009071600000000 ] - [ 0.0006133300000000, 0.0001881500000000, -0.0001592500000000 ] - [ 0.0018932400000000, 0.0003857700000000, -0.0006006500000000 ] - [ 0.0025794500000000, -0.0015401600000000, -0.0007856700000000 ] - [ 0.0013595200000000, -0.0006633100000000, 0.0000298900000000 ] - [ 0.0007175100000000, 0.0002155900000000, 0.0002699300000000 ] - [ 0.0005926600000000, 0.0000150600000000, 0.0001048800000000 ] - [ 0.0004224100000000, 0.0001005900000000, -0.0001802800000000 ] - [ -0.0000965000000000, -0.0000105000000000, 0.0002983600000000 ] - [ 0.0002495600000000, 0.0003260000000000, 0.0005147000000000 ]- atom: 82 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ 0.0006143100000000, 0.0001000800000000, -0.0003494800000000 ] - [ 0.0001385700000000, -0.0002258300000000, 0.0002225100000000 ] - [ 0.0005503400000000, -0.0001118600000000, -0.0002375300000000 ] - [ 0.0001399700000000, 0.0002221600000000, 0.0002710900000000 ] - [ 0.0009262700000000, 0.0000838900000000, 0.0002555900000000 ] - [ -0.0003488800000000, -0.0002011500000000, 0.0012652500000000 ] - [ 0.0002722600000000, -0.0001195200000000, -0.0007891100000000 ] - [ -0.0004450300000000, 0.0001645600000000, -0.0011606000000000 ] - [ 0.0025394700000000, 0.0005144100000000, 0.0002616100000000 ] - [ 0.0016633900000000, -0.0001143100000000, -0.0007019300000000 ] - [ 0.0019132300000000, 0.0001514700000000, 0.0001078400000000 ] - [ 0.0019870100000000, -0.0001459300000000, 0.0001181100000000 ] - [ 0.0029191900000000, 0.0002581400000000, -0.0006640700000000 ] - [ 0.0012535700000000, -0.0002955400000000, 0.0000825900000000 ] - [ -0.0053011800000000, 0.0007109100000000, 0.0027134600000000 ] - [ -0.0148582700000000, 0.0029474300000000, -0.0037528200000000 ] - [ 0.0014284800000000, 0.0000395400000000, 0.0000746700000000 ] - [ 0.0020972000000000, -0.0009317200000000, 0.0005907400000000 ] - [ 0.0020751800000000, 0.0009254600000000, 0.0006070800000000 ] - [ -0.1518105300000000, -0.0852709900000000, -0.0330150600000000 ] - [ 0.0027304300000000, 0.0002593500000000, -0.0003096700000000 ] - [ 0.0011249900000000, -0.0002448200000000, -0.0025436300000000 ] - [ 0.0021915500000000, 0.0002774000000000, -0.0000291900000000 ] - [ -0.0045649000000000, -0.0003881300000000, 0.0010946000000000 ] - [ 0.0030235700000000, -0.0003248200000000, -0.0002148500000000 ] - [ -0.0005506000000000, 0.0000413200000000, 0.0007034000000000 ] - [ -0.0036300600000000, 0.0000044800000000, -0.0076045300000000 ] - [ -0.0027685300000000, -0.0007615900000000, 0.0050235600000000 ] - [ 0.0013499600000000, -0.0004110300000000, 0.0003207000000000 ] - [ 0.0063314300000000, 0.0011926800000000, -0.0052860500000000 ] - [ 0.0014924200000000, -0.0000511300000000, 0.0000304000000000 ] - [ 0.0010360000000000, -0.0005727900000000, 0.0019245200000000 ] - [ -0.0017487300000000, 0.0000813600000000, -0.0008185300000000 ] - [ -0.0125132300000000, 0.0122783100000000, 0.0101691600000000 ] - [ -0.0063322200000000, -0.0001913500000000, -0.0001866300000000 ] - [ 0.0014054100000000, 0.0009950300000000, 0.0008784000000000 ] - [ 0.0004369300000000, -0.0000065900000000, 0.0005325000000000 ] - [ 0.0015437100000000, -0.0001146200000000, 0.0000369100000000 ] - [ 0.0023056400000000, 0.0005427300000000, 0.0007091200000000 ] - [ 0.0013378200000000, -0.0009632200000000, 0.0008762800000000 ] - [ 0.0046970900000000, 0.0005330200000000, -0.0020077000000000 ] - [ 0.0019013500000000, -0.0001892400000000, -0.0001282700000000 ] - [ 0.0017022900000000, 0.0003056500000000, -0.0003127300000000 ] - [ 0.0017094600000000, -0.0002952700000000, -0.0004095100000000 ] - [ 0.0012353700000000, -0.0001442100000000, -0.0003855300000000 ] - [ 0.0021447200000000, 0.0001623600000000, -0.0000333800000000 ] - [ 0.0064641900000000, -0.0010950700000000, 0.0059994400000000 ] - [ 0.0018150100000000, 0.0001599200000000, -0.0004893100000000 ] - [ -0.0011485400000000, 0.0000153700000000, -0.0003009400000000 ] - [ -0.0012139500000000, -0.0009818400000000, 0.0000123500000000 ] - [ -0.0005708000000000, -0.0001510700000000, -0.0000281500000000 ] - [ -0.0020035200000000, -0.0021674800000000, 0.0059218000000000 ] - [ 0.0014336100000000, -0.0007009900000000, 0.0002969200000000 ] - [ -0.0010632300000000, -0.0000612100000000, -0.0007214200000000 ] - [ 0.0001702700000000, -0.0000157000000000, 0.0013641000000000 ] - [ 0.0001599900000000, 0.0000630800000000, -0.0006533600000000 ] - [ -0.0003011900000000, 0.0001500400000000, 0.0002639400000000 ] - [ 0.0024989500000000, 0.0012454400000000, -0.0038736700000000 ] - [ -0.0007766600000000, -0.0001710200000000, -0.0005299000000000 ] - [ 0.0042719900000000, 0.0016410100000000, 0.0022852700000000 ] - [ -0.0002257300000000, -0.0008052300000000, 0.0003978700000000 ] - [ -0.0002314100000000, 0.0008173300000000, 0.0003758600000000 ] - [ -0.0003819200000000, -0.0000103900000000, -0.0003465400000000 ] - [ -0.0007834000000000, 0.0001719200000000, -0.0005075900000000 ] - [ -0.0008347800000000, -0.0004244200000000, 0.0016347700000000 ] - [ -0.0102400800000000, -0.0098545000000000, 0.0027180200000000 ] - [ 0.0183085800000000, -0.0042848200000000, -0.0025635000000000 ] - [ -0.0012368400000000, -0.0000312300000000, -0.0004238300000000 ] - [ -0.0011176300000000, -0.0000186000000000, -0.0003390200000000 ] - [ -0.0012272800000000, 0.0001629600000000, -0.0006920000000000 ] - [ -0.0013050900000000, 0.0003908100000000, -0.0001901500000000 ] - [ 0.0002761100000000, 0.0005065100000000, -0.0000687900000000 ] - [ -0.0002461400000000, 0.0006116300000000, -0.0009465500000000 ] - [ -0.0005939000000000, -0.0001001900000000, 0.0000996400000000 ] - [ -0.0003244500000000, -0.0001561500000000, 0.0002828400000000 ] - [ 0.0022067200000000, 0.0006329200000000, -0.0004251100000000 ] - [ -0.0003982400000000, 0.0002720000000000, 0.0001199000000000 ] - [ -0.0008208500000000, -0.0000474500000000, -0.0007020000000000 ] - [ 0.0005888000000000, 0.0014020900000000, -0.0031154600000000 ] - [ -0.0011370400000000, 0.0009352800000000, 0.0000707000000000 ] - [ -0.0003844500000000, -0.0000780900000000, -0.0006364900000000 ] - [ 0.1685229800000000, 0.1092567200000000, 0.0228795500000000 ] - [ -0.0008691500000000, -0.0009007100000000, 0.0008405100000000 ] - [ -0.0010955300000000, 0.0000597400000000, -0.0007250700000000 ] - [ -0.0004787400000000, -0.0003268600000000, -0.0001140200000000 ] - [ 0.0022860800000000, 0.0001687900000000, -0.0008252300000000 ] - [ 0.0023419600000000, -0.0015094600000000, 0.0012224400000000 ] - [ -0.0006535300000000, 0.0003626100000000, -0.0002348100000000 ] - [ -0.0013485500000000, 0.0000417300000000, -0.0005054000000000 ] - [ -0.0005304700000000, 0.0003544300000000, -0.0000800400000000 ] - [ -0.0025318000000000, 0.0007002700000000, -0.0012636000000000 ] - [ 0.0064746700000000, -0.0081287100000000, 0.0096911900000000 ] - [ -0.0007274500000000, 0.0000733200000000, -0.0000666600000000 ] - [ -0.0006456800000000, 0.0007246400000000, 0.0018653000000000 ] - [ -0.0012273200000000, -0.0003563700000000, -0.0001212900000000 ] - [ 0.0006170200000000, -0.0000450000000000, -0.0011731200000000 ] - [ -0.0024558800000000, -0.0012801500000000, -0.0011144100000000 ] - [ -0.0016908900000000, -0.0013243800000000, 0.0006703800000000 ] - [ -0.0003979700000000, -0.0000456400000000, 0.0000563900000000 ] - [ -0.0007442300000000, 0.0000788400000000, 0.0005915300000000 ] - [ -0.0008211500000000, 0.0007559700000000, 0.0005124200000000 ] - [ 0.0002815400000000, 0.0001488300000000, -0.0005955400000000 ] - [ -0.0010010500000000, 0.0003097600000000, 0.0002289000000000 ] - [ -0.0005291300000000, 0.0002003400000000, -0.0000255200000000 ] - [ 0.0013861400000000, -0.0002747500000000, 0.0009074800000000 ] - [ -0.0016369600000000, 0.0004739900000000, 0.0000666100000000 ] - [ 0.0022465100000000, 0.0019378700000000, 0.0025313500000000 ] - [ -0.0016313100000000, -0.0004819000000000, 0.0000566200000000 ] - [ 0.0017624400000000, -0.0027797100000000, -0.0020496800000000 ] - [ 0.0040350200000000, -0.0036626100000000, 0.0034248700000000 ] - [ -0.0005073300000000, 0.0000635800000000, 0.0003901800000000 ] - [ 0.0028858800000000, -0.0015960700000000, -0.0032538000000000 ] - [ -0.0006058900000000, -0.0006413100000000, -0.0002175600000000 ] - [ -0.0009113600000000, -0.0007980400000000, 0.0005425200000000 ] - [ -0.0004642900000000, 0.0005551700000000, 0.0000549000000000 ] - [ 0.0006276500000000, -0.0001856600000000, -0.0010243300000000 ] - [ -0.0000368600000000, -0.0002933000000000, -0.0000194900000000 ] - [ -0.0015724700000000, -0.0000084300000000, -0.0009185900000000 ] - [ -0.0020723700000000, 0.0005142000000000, 0.0007411700000000 ] - [ -0.0007018800000000, 0.0000203400000000, -0.0006101700000000 ] - [ -0.0004291200000000, 0.0003553400000000, 0.0002091300000000 ] - [ -0.0004821400000000, -0.0000028400000000, -0.0006622900000000 ] - [ -0.0028753500000000, -0.0125720700000000, -0.0052697900000000 ] - [ -0.0006412600000000, -0.0008018400000000, 0.0004579400000000 ] - [ -0.0004498800000000, 0.0001656100000000, -0.0004379300000000 ] - [ -0.0003370900000000, -0.0001546900000000, -0.0004330600000000 ] - [ -0.0010432900000000, -0.0003357100000000, 0.0002821700000000 ] - [ -0.0004675700000000, 0.0005276400000000, -0.0004291900000000 ] - [ -0.0006422300000000, -0.0002413200000000, -0.0001210100000000 ] - [ -0.0011381700000000, -0.0000624800000000, 0.0006149900000000 ] - [ -0.0006987500000000, -0.0005264000000000, 0.0001931600000000 ] - [ -0.0110501800000000, 0.0003996300000000, 0.0000529900000000 ] - [ 0.0006081700000000, 0.0000702800000000, -0.0001664900000000 ] - [ -0.0004479600000000, -0.0005516900000000, 0.0000522700000000 ] - [ -0.0011064800000000, 0.0000505100000000, 0.0006139200000000 ] - [ -0.0010110900000000, 0.0007279000000000, 0.0004309900000000 ] - [ -0.0017069400000000, -0.0003379600000000, 0.0004723600000000 ] - [ -0.0021762500000000, 0.0016120700000000, 0.0002487900000000 ] - [ -0.0010266700000000, -0.0000040200000000, -0.0006206800000000 ] - [ -0.0006524700000000, 0.0008016600000000, 0.0004511100000000 ] - [ -0.0009207900000000, 0.0002163900000000, -0.0001478700000000 ] - [ -0.0005534100000000, -0.0002261700000000, -0.0001395000000000 ] - [ -0.0005794400000000, 0.0000385500000000, -0.0008437100000000 ] - [ -0.0007238400000000, -0.0000494400000000, 0.0006367700000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002951900000000, 0.0001241400000000, -0.0002790100000000 ] - [ -0.0005517900000000, -0.0002738000000000, 0.0001422000000000 ] - [ -0.0002520300000000, -0.0001225700000000, -0.0003243000000000 ] - [ -0.0005504000000000, 0.0002750900000000, 0.0001202500000000 ] - [ -0.0003335000000000, 0.0001041300000000, -0.0004481600000000 ] - [ -0.0005998500000000, -0.0002205500000000, -0.0002106900000000 ] - [ -0.0001724100000000, -0.0001101400000000, -0.0001287300000000 ] - [ -0.0002333800000000, 0.0002142900000000, 0.0005220300000000 ] - [ -0.0009351800000000, -0.0000131300000000, -0.0006532600000000 ] - [ -0.0005657500000000, -0.0001725800000000, -0.0001500600000000 ] - [ -0.0009612900000000, 0.0002996200000000, 0.0000981200000000 ] - [ -0.0009927200000000, -0.0003016400000000, 0.0000905300000000 ] - [ -0.0009976900000000, 0.0000562000000000, -0.0002647200000000 ] - [ -0.0004804800000000, -0.0000888800000000, -0.0004708300000000 ] - [ 0.0023313300000000, -0.0002849600000000, -0.0020846000000000 ] - [ 0.0083262300000000, 0.0033224500000000, -0.0019565200000000 ] - [ -0.0006325900000000, -0.0000896700000000, -0.0001006100000000 ] - [ -0.0000043500000000, -0.0007539800000000, 0.0003379900000000 ] - [ 0.0000039300000000, 0.0007580500000000, 0.0003290000000000 ] - [ 0.0722923800000000, 0.0787987500000000, 0.0217597000000000 ] - [ -0.0005845100000000, -0.0001486900000000, -0.0000910700000000 ] - [ -0.0006222600000000, 0.0001331200000000, 0.0008082500000000 ] - [ -0.0006802600000000, -0.0002152500000000, -0.0001688800000000 ] - [ 0.0019554900000000, -0.0004841300000000, 0.0005061000000000 ] - [ -0.0007151200000000, 0.0001774200000000, -0.0001527800000000 ] - [ 0.0008533600000000, -0.0001844700000000, 0.0000920500000000 ] - [ 0.0002424700000000, 0.0032707900000000, 0.0044551400000000 ] - [ 0.0028439500000000, -0.0023481200000000, -0.0022805200000000 ] - [ -0.0002615500000000, 0.0002908000000000, -0.0002434100000000 ] - [ -0.0023975000000000, -0.0010346700000000, 0.0021432900000000 ] - [ -0.0006638800000000, 0.0000939300000000, -0.0000830000000000 ] - [ -0.0002393600000000, 0.0002064200000000, -0.0012044900000000 ] - [ 0.0006936700000000, -0.0001551500000000, 0.0001299900000000 ] - [ 0.0041181000000000, -0.0130282400000000, -0.0065067600000000 ] - [ 0.0044311900000000, 0.0016703000000000, -0.0013469100000000 ] - [ -0.0010128900000000, 0.0003958000000000, 0.0008126000000000 ] - [ 0.0000825800000000, -0.0001159600000000, -0.0003845500000000 ] - [ -0.0006007300000000, 0.0001700800000000, -0.0003132600000000 ] - [ -0.0006217700000000, -0.0003324100000000, -0.0004130200000000 ] - [ -0.0009899300000000, -0.0004059700000000, 0.0008151100000000 ] - [ -0.0017948600000000, 0.0008388800000000, -0.0004835800000000 ] - [ -0.0003404700000000, -0.0002332900000000, 0.0003221200000000 ] - [ -0.0006860800000000, 0.0003638500000000, 0.0001097100000000 ] - [ -0.0006904000000000, -0.0003677000000000, 0.0001392200000000 ] - [ -0.0003160500000000, 0.0002248600000000, -0.0000565400000000 ] - [ -0.0004157400000000, 0.0002434800000000, 0.0002866100000000 ] - [ -0.0012069900000000, -0.0001604100000000, -0.0004594500000000 ] - [ -0.0006927500000000, -0.0001854300000000, -0.0001541300000000 ] - [ -0.0002491400000000, 0.0001867600000000, -0.0003660000000000 ] - [ 0.0001150500000000, -0.0002467700000000, -0.0002321100000000 ] - [ 0.0000052500000000, -0.0001056000000000, -0.0000361400000000 ] - [ -0.0008213700000000, -0.0012420400000000, -0.0008229500000000 ] - [ -0.0004926900000000, 0.0007012200000000, 0.0000472800000000 ] - [ -0.0001434500000000, 0.0000651100000000, -0.0003868800000000 ] - [ 0.0001553600000000, -0.0009264600000000, -0.0007325500000000 ] - [ -0.0001716800000000, 0.0000692000000000, 0.0000464100000000 ] - [ 0.0004721200000000, -0.0000296000000000, 0.0001292200000000 ] - [ -0.0047544500000000, 0.0007918400000000, -0.0034489500000000 ] - [ 0.0002677300000000, 0.0001571300000000, -0.0004673400000000 ] - [ -0.0030738700000000, -0.0013664200000000, -0.0006149500000000 ] - [ 0.0005734200000000, -0.0005869900000000, 0.0004080700000000 ] - [ 0.0005759700000000, 0.0005814800000000, 0.0004188800000000 ] - [ 0.0002050700000000, 0.0000660200000000, -0.0001603800000000 ] - [ 0.0002708800000000, -0.0001571900000000, -0.0004780300000000 ] - [ 0.0005679100000000, -0.0000241500000000, -0.0006396900000000 ] - [ 0.0046652200000000, 0.0038454600000000, -0.0007420000000000 ] - [ 0.0028922500000000, 0.0148518100000000, 0.0086322500000000 ] - [ 0.0006876500000000, -0.0000201800000000, 0.0000939500000000 ] - [ -0.0002658100000000, -0.0001845300000000, -0.0003509000000000 ] - [ 0.0007430700000000, 0.0001363300000000, -0.0001965500000000 ] - [ 0.0000764300000000, -0.0001890300000000, -0.0003059400000000 ] - [ 0.0000256000000000, 0.0001804000000000, -0.0004747400000000 ] - [ 0.0003135100000000, -0.0000095400000000, 0.0004382900000000 ] - [ 0.0003061800000000, -0.0000243200000000, -0.0003487200000000 ] - [ 0.0004824400000000, 0.0000328000000000, 0.0001210900000000 ] - [ -0.0009305600000000, -0.0007884300000000, 0.0008445900000000 ] - [ 0.0006953100000000, -0.0002517600000000, -0.0003739800000000 ] - [ 0.0005393800000000, -0.0001821100000000, -0.0002142700000000 ] - [ -0.0005785300000000, -0.0004095900000000, 0.0014783000000000 ] - [ 0.0000866500000000, 0.0002668900000000, -0.0002644300000000 ] - [ 0.0005654200000000, 0.0001424400000000, -0.0000258200000000 ] - [ -0.1046802200000000, -0.1187268200000000, -0.0086962400000000 ] - [ 0.0001370600000000, -0.0002286800000000, -0.0001995800000000 ] - [ -0.0001297900000000, -0.0000650600000000, -0.0003826400000000 ] - [ 0.0004828000000000, 0.0000789800000000, -0.0003265500000000 ] - [ -0.0011046900000000, -0.0007176600000000, 0.0007676900000000 ] - [ -0.0013487100000000, 0.0001365600000000, 0.0006909400000000 ] - [ -0.0000366500000000, 0.0005140500000000, 0.0003318100000000 ] - [ 0.0007356800000000, 0.0000156400000000, 0.0001327000000000 ] - [ 0.0005066400000000, -0.0000901000000000, -0.0003399500000000 ] - [ 0.0014512500000000, -0.0007527400000000, 0.0002058000000000 ] - [ 0.0077184900000000, 0.0137229000000000, -0.0091077500000000 ] - [ 0.0000822500000000, 0.0001311200000000, 0.0000128900000000 ] - [ 0.0006010800000000, -0.0002193300000000, -0.0009909000000000 ] - [ 0.0000529200000000, 0.0001783000000000, -0.0003478000000000 ] - [ -0.0012187600000000, 0.0001527200000000, 0.0007853500000000 ] - [ -0.0001926200000000, 0.0002344500000000, -0.0001769000000000 ] - [ 0.0005461300000000, -0.0000294000000000, -0.0003273800000000 ] - [ -0.0000416200000000, -0.0001453400000000, -0.0000428300000000 ] - [ -0.0000194300000000, -0.0002281700000000, 0.0005637000000000 ] - [ 0.0005599600000000, -0.0000139200000000, 0.0000728900000000 ] - [ -0.0006110400000000, 0.0000494400000000, -0.0002235400000000 ] - [ 0.0003761400000000, -0.0004522400000000, -0.0001926600000000 ] - [ 0.0001369600000000, -0.0000003200000000, -0.0002090200000000 ] - [ -0.0003401300000000, 0.0002315700000000, -0.0000202700000000 ] - [ -0.0000495800000000, 0.0000637200000000, 0.0004768400000000 ] - [ -0.0011415400000000, -0.0015300800000000, -0.0018526300000000 ] - [ -0.0000526500000000, -0.0000609400000000, 0.0004788400000000 ] - [ 0.0018238000000000, 0.0039903200000000, 0.0019903900000000 ] - [ -0.0022341400000000, 0.0040064000000000, -0.0015671100000000 ] - [ 0.0002566800000000, 0.0000403200000000, -0.0004176500000000 ] - [ -0.0006997100000000, -0.0004211600000000, 0.0004238700000000 ] - [ 0.0004866700000000, 0.0000017000000000, 0.0000762500000000 ] - [ 0.0005882100000000, 0.0000271600000000, 0.0000648300000000 ] - [ 0.0003871600000000, 0.0003351600000000, -0.0001032600000000 ] - [ 0.0003500300000000, 0.0001036700000000, 0.0004812100000000 ] - [ -0.0006819500000000, -0.0001001400000000, -0.0004325900000000 ] - [ 0.0008427300000000, 0.0001714300000000, -0.0001001800000000 ] - [ 0.0002720200000000, -0.0003829200000000, -0.0005353500000000 ] - [ 0.0005619800000000, 0.0004689400000000, -0.0001614700000000 ] - [ 0.0004364600000000, 0.0000842100000000, -0.0000543800000000 ] - [ 0.0002340800000000, -0.0000607600000000, -0.0000911800000000 ] - [ 0.0083176800000000, 0.0149083700000000, 0.0050885400000000 ] - [ 0.0003245000000000, -0.0003811500000000, 0.0003201700000000 ] - [ 0.0006455400000000, -0.0002018200000000, -0.0001429900000000 ] - [ 0.0004699000000000, -0.0001318200000000, -0.0002710600000000 ] - [ 0.0003915100000000, 0.0004617900000000, -0.0002091300000000 ] - [ -0.0000988600000000, 0.0003676500000000, -0.0001190400000000 ] - [ 0.0007093000000000, 0.0002280700000000, -0.0002400600000000 ] - [ 0.0002283300000000, 0.0005268600000000, 0.0008261600000000 ] - [ 0.0000374800000000, -0.0004159500000000, 0.0000957500000000 ] - [ 0.0000104100000000, -0.0016795700000000, -0.0008241800000000 ] - [ 0.0000416700000000, -0.0000671400000000, -0.0002894900000000 ] - [ 0.0003816700000000, -0.0003361300000000, -0.0001033500000000 ] - [ 0.0002164000000000, -0.0005224300000000, 0.0008260700000000 ] - [ 0.0001390200000000, 0.0003510700000000, 0.0000289400000000 ] - [ 0.0033255900000000, 0.0003717100000000, 0.0004016100000000 ] - [ 0.0008445200000000, 0.0001729400000000, -0.0000553600000000 ] - [ 0.0006663700000000, -0.0004740200000000, -0.0001517900000000 ] - [ 0.0003281500000000, 0.0003815100000000, 0.0003220400000000 ] - [ 0.0001192100000000, 0.0000861100000000, 0.0000391200000000 ] - [ 0.0001434000000000, 0.0000088100000000, -0.0001706400000000 ] - [ -0.0001496800000000, 0.0000820200000000, -0.0001583200000000 ] - [ -0.0000253900000000, 0.0002192900000000, 0.0005496700000000 ]- atom: 82 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002646500000000, 0.0001126000000000, -0.0003180900000000 ] - [ -0.0001341900000000, -0.0002449100000000, 0.0001901700000000 ] - [ 0.0002214400000000, -0.0001146700000000, -0.0002732700000000 ] - [ -0.0001357900000000, 0.0002430000000000, 0.0002119400000000 ] - [ 0.0003039300000000, 0.0001324800000000, -0.0001481500000000 ] - [ -0.0000887000000000, -0.0002976900000000, 0.0005442400000000 ] - [ 0.0001415700000000, -0.0001270600000000, -0.0004689600000000 ] - [ -0.0004524800000000, 0.0003025400000000, -0.0001914700000000 ] - [ 0.0011498200000000, 0.0003160000000000, -0.0000465300000000 ] - [ 0.0007838700000000, -0.0001311400000000, -0.0005485900000000 ] - [ 0.0007722500000000, 0.0002102200000000, 0.0001020800000000 ] - [ 0.0008033600000000, -0.0002079200000000, 0.0001093000000000 ] - [ 0.0012150000000000, 0.0002465200000000, -0.0004347800000000 ] - [ 0.0006959900000000, -0.0002142900000000, -0.0002275000000000 ] - [ -0.0025055700000000, 0.0007861200000000, 0.0022689800000000 ] - [ -0.0082062700000000, -0.0035814700000000, 0.0017291100000000 ] - [ 0.0006064900000000, -0.0000108600000000, 0.0000041300000000 ] - [ 0.0012610000000000, -0.0008623200000000, 0.0004896000000000 ] - [ 0.0012526400000000, 0.0008583000000000, 0.0004985400000000 ] - [ -0.0767821200000000, -0.0800293900000000, -0.0211647000000000 ] - [ 0.0014099500000000, 0.0000979200000000, -0.0002388000000000 ] - [ 0.0007362700000000, 0.0000377000000000, -0.0012678800000000 ] - [ 0.0010770500000000, 0.0000540500000000, -0.0000316600000000 ] - [ -0.0025072100000000, -0.0006612600000000, 0.0011448700000000 ] - [ 0.0015395200000000, -0.0001264600000000, -0.0001770700000000 ] - [ -0.0001522300000000, -0.0002543900000000, 0.0002781400000000 ] - [ -0.0001479000000000, -0.0026235500000000, -0.0044827300000000 ] - [ -0.0027822400000000, 0.0016766000000000, 0.0022256500000000 ] - [ 0.0006594300000000, -0.0001292000000000, 0.0000393300000000 ] - [ 0.0030723700000000, 0.0014662100000000, -0.0017365200000000 ] - [ 0.0006376400000000, 0.0000067900000000, -0.0000133000000000 ] - [ 0.0003442600000000, -0.0003767900000000, 0.0007319200000000 ] - [ -0.0007189500000000, 0.0000555600000000, -0.0002251700000000 ] - [ -0.0029910600000000, 0.0113775400000000, 0.0073187300000000 ] - [ -0.0031679400000000, -0.0000658600000000, 0.0021796100000000 ] - [ 0.0004386500000000, 0.0007541100000000, 0.0008528600000000 ] - [ 0.0007399500000000, 0.0000643100000000, 0.0000555200000000 ] - [ 0.0007076100000000, -0.0000007300000000, -0.0001529100000000 ] - [ 0.0010201100000000, 0.0001710800000000, 0.0002109100000000 ] - [ 0.0004154000000000, -0.0007439500000000, 0.0008502700000000 ] - [ 0.0026144900000000, -0.0007783800000000, 0.0001436000000000 ] - [ 0.0010321200000000, -0.0002026600000000, 0.0000566600000000 ] - [ 0.0007518300000000, 0.0003260500000000, -0.0001527600000000 ] - [ 0.0007561900000000, -0.0003222200000000, -0.0001820100000000 ] - [ 0.0007132500000000, -0.0000634900000000, -0.0001461300000000 ] - [ 0.0011075900000000, 0.0001924700000000, 0.0000919100000000 ] - [ 0.0012100100000000, 0.0002455100000000, 0.0003886400000000 ] - [ 0.0007999400000000, 0.0000159400000000, -0.0003128700000000 ] - [ -0.0007930800000000, 0.0000836900000000, -0.0003275900000000 ] - [ -0.0006826600000000, -0.0006896000000000, -0.0000896000000000 ] - [ -0.0003344700000000, -0.0001291700000000, -0.0000056300000000 ] - [ 0.0003721100000000, 0.0009856200000000, 0.0019318700000000 ] - [ 0.0007644500000000, -0.0002571100000000, 0.0003691900000000 ] - [ -0.0006978400000000, -0.0000107300000000, -0.0005870400000000 ] - [ -0.0002451500000000, 0.0004930200000000, 0.0006057400000000 ] - [ 0.0000405100000000, 0.0000501100000000, -0.0003548200000000 ] - [ 0.0000075800000000, 0.0000776600000000, 0.0002094700000000 ] - [ 0.0037493200000000, -0.0004759100000000, 0.0042219200000000 ] - [ -0.0003604000000000, -0.0000400100000000, -0.0005058700000000 ] - [ 0.0020054100000000, 0.0009851800000000, 0.0013113500000000 ] - [ 0.0000930000000000, -0.0007167000000000, 0.0004032900000000 ] - [ 0.0000906000000000, 0.0007222200000000, 0.0003925500000000 ] - [ -0.0001396400000000, 0.0000205300000000, -0.0002699000000000 ] - [ -0.0003635500000000, 0.0000399400000000, -0.0004952300000000 ] - [ -0.0002317300000000, -0.0003357300000000, 0.0006432400000000 ] - [ -0.0043730000000000, -0.0042698800000000, 0.0011275600000000 ] - [ -0.0028108400000000, -0.0142384000000000, -0.0089520700000000 ] - [ -0.0004725200000000, -0.0000270100000000, -0.0002161900000000 ] - [ -0.0007764600000000, -0.0000859600000000, -0.0003428900000000 ] - [ -0.0004602700000000, 0.0001488100000000, -0.0005101900000000 ] - [ -0.0007508100000000, 0.0001578900000000, -0.0002438700000000 ] - [ 0.0003027400000000, 0.0004829700000000, -0.0001181000000000 ] - [ 0.0000218500000000, 0.0003682100000000, -0.0004244600000000 ] - [ -0.0002402800000000, -0.0000616000000000, -0.0000833400000000 ] - [ -0.0000027600000000, -0.0000806400000000, 0.0002177000000000 ] - [ 0.0009868300000000, -0.0002323100000000, -0.0001107800000000 ] - [ -0.0000731600000000, 0.0000740400000000, -0.0000586400000000 ] - [ -0.0002577900000000, -0.0001035500000000, -0.0004917300000000 ] - [ 0.0004986900000000, 0.0008526800000000, -0.0015947400000000 ] - [ -0.0006546400000000, 0.0006696200000000, -0.0000573000000000 ] - [ 0.0000594800000000, 0.0000355300000000, -0.0004046200000000 ] - [ 0.1081068100000000, 0.1217864000000000, 0.0116862300000000 ] - [ -0.0005342100000000, -0.0006897000000000, 0.0004765300000000 ] - [ -0.0007113300000000, 0.0000108000000000, -0.0005913300000000 ] - [ -0.0000955700000000, -0.0001659800000000, -0.0001971300000000 ] - [ 0.0013569400000000, -0.0000876500000000, -0.0008698300000000 ] - [ 0.0009747800000000, -0.0008320100000000, 0.0008343600000000 ] - [ -0.0003592800000000, 0.0004051900000000, -0.0000531800000000 ] - [ -0.0005195300000000, 0.0000319700000000, -0.0002550700000000 ] - [ -0.0001194500000000, 0.0001770900000000, -0.0001845900000000 ] - [ -0.0011200400000000, 0.0000863700000000, -0.0007970900000000 ] - [ -0.0078903500000000, -0.0128797200000000, 0.0099691800000000 ] - [ -0.0004119000000000, 0.0001042500000000, -0.0000557200000000 ] - [ -0.0007339400000000, 0.0000948300000000, 0.0006712600000000 ] - [ -0.0007280300000000, -0.0001473800000000, -0.0002018500000000 ] - [ 0.0007453800000000, 0.0001205900000000, 0.0003754000000000 ] - [ -0.0008518000000000, 0.0000306000000000, -0.0005185400000000 ] - [ -0.0011109600000000, -0.0009059400000000, 0.0000073400000000 ] - [ -0.0002873100000000, -0.0000894500000000, 0.0000007300000000 ] - [ -0.0004544300000000, -0.0000440900000000, 0.0005818800000000 ] - [ -0.0002789100000000, 0.0004526800000000, 0.0003393600000000 ] - [ -0.0002301900000000, 0.0000054600000000, -0.0007487200000000 ] - [ -0.0004563500000000, 0.0000080700000000, 0.0000680100000000 ] - [ -0.0002666100000000, 0.0001213600000000, -0.0001047400000000 ] - [ 0.0008197000000000, -0.0001829800000000, 0.0003545300000000 ] - [ -0.0010054500000000, 0.0003103600000000, 0.0002286700000000 ] - [ 0.0010416000000000, 0.0016397600000000, 0.0008801300000000 ] - [ -0.0010019700000000, -0.0003127200000000, 0.0002269000000000 ] - [ -0.0011062300000000, -0.0052248400000000, -0.0011633600000000 ] - [ 0.0028989800000000, -0.0026838900000000, 0.0023660400000000 ] - [ -0.0001910600000000, 0.0000462100000000, -0.0000132800000000 ] - [ 0.0006227200000000, 0.0002788000000000, -0.0013988200000000 ] - [ -0.0001514200000000, -0.0003605100000000, -0.0000667200000000 ] - [ -0.0003069700000000, -0.0004657000000000, 0.0003476800000000 ] - [ -0.0001246800000000, 0.0004664200000000, -0.0000107800000000 ] - [ -0.0001310300000000, -0.0001502900000000, -0.0006015900000000 ] - [ -0.0003603000000000, -0.0001706000000000, -0.0002607300000000 ] - [ -0.0005600600000000, 0.0001135500000000, -0.0006061400000000 ] - [ -0.0009483900000000, 0.0003504600000000, -0.0000128200000000 ] - [ -0.0002304800000000, 0.0001952900000000, -0.0004311800000000 ] - [ -0.0001011200000000, 0.0002746600000000, 0.0000645300000000 ] - [ -0.0001688300000000, -0.0000254500000000, -0.0003401800000000 ] - [ -0.0076257500000000, -0.0147633600000000, -0.0047249100000000 ] - [ -0.0002583600000000, -0.0006340400000000, 0.0004036900000000 ] - [ -0.0000215300000000, 0.0000241400000000, -0.0002884800000000 ] - [ -0.0001866600000000, -0.0001534700000000, -0.0004350500000000 ] - [ -0.0004711100000000, -0.0000179400000000, 0.0000838400000000 ] - [ -0.0004680400000000, 0.0005679900000000, -0.0002033500000000 ] - [ -0.0000853500000000, -0.0000503800000000, -0.0001912800000000 ] - [ -0.0005929900000000, 0.0001728200000000, 0.0006999600000000 ] - [ -0.0004334600000000, -0.0005023800000000, 0.0001817900000000 ] - [ -0.0009002200000000, 0.0016180500000000, -0.0001498400000000 ] - [ 0.0003453800000000, -0.0000201300000000, -0.0002342900000000 ] - [ -0.0001192300000000, -0.0004655800000000, -0.0000106100000000 ] - [ -0.0005810300000000, -0.0001773600000000, 0.0006996700000000 ] - [ -0.0005354800000000, 0.0005673800000000, 0.0002488200000000 ] - [ -0.0030846700000000, -0.0003167700000000, -0.0005164300000000 ] - [ -0.0004621800000000, -0.0000791000000000, -0.0004630500000000 ] - [ -0.0003349800000000, -0.0001903400000000, -0.0004403500000000 ] - [ -0.0002620800000000, 0.0006336400000000, 0.0004016200000000 ] - [ -0.0004496500000000, 0.0001494100000000, -0.0000815000000000 ] - [ -0.0002730600000000, -0.0001298200000000, -0.0001429300000000 ] - [ -0.0005244200000000, -0.0000502900000000, -0.0003926400000000 ] - [ -0.0004484000000000, 0.0000529200000000, 0.0005957800000000 ]- atom: 82 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0000473400000000, 0.0001289500000000, -0.0002776300000000 ] - [ -0.0004013300000000, -0.0002641200000000, 0.0001559000000000 ] - [ -0.0001509600000000, -0.0001110600000000, -0.0003220600000000 ] - [ -0.0004206700000000, 0.0002645700000000, 0.0001527100000000 ] - [ -0.0003525000000000, 0.0001147100000000, -0.0003297800000000 ] - [ -0.0011856900000000, -0.0002683000000000, -0.0002420300000000 ] - [ 0.0000626700000000, -0.0001292000000000, -0.0003641700000000 ] - [ 0.0001543100000000, 0.0003065500000000, 0.0002545200000000 ] - [ -0.0003837500000000, 0.0001177500000000, -0.0001677600000000 ] - [ 0.0000071400000000, -0.0001329900000000, -0.0005849800000000 ] - [ -0.0003778100000000, 0.0002687500000000, 0.0000944600000000 ] - [ -0.0003884600000000, -0.0002706500000000, 0.0001008500000000 ] - [ 0.0001252000000000, 0.0001659900000000, -0.0002297000000000 ] - [ -0.0003879200000000, -0.0001325300000000, -0.0004644200000000 ] - [ 0.0003063800000000, 0.0002270500000000, -0.0068023300000000 ] - [ -0.0018307100000000, -0.0078887000000000, 0.0187806600000000 ] - [ -0.0002275700000000, -0.0000619800000000, -0.0000749800000000 ] - [ 0.0004256500000000, -0.0007921300000000, 0.0003928600000000 ] - [ 0.0004211900000000, 0.0007902100000000, 0.0003832900000000 ] - [ 0.0287872000000000, 0.0250410600000000, 0.0480815500000000 ] - [ 0.0000801800000000, -0.0000731600000000, -0.0002247700000000 ] - [ 0.0012779300000000, -0.0004079600000000, -0.0002905700000000 ] - [ 0.0002110300000000, -0.0000477000000000, 0.0003333000000000 ] - [ 0.0015826700000000, -0.0001702000000000, -0.0042532500000000 ] - [ 0.0000503800000000, 0.0000671000000000, -0.0000777600000000 ] - [ 0.0004896700000000, -0.0006627500000000, -0.0020011300000000 ] - [ 0.0041420100000000, 0.0002870900000000, -0.0041959100000000 ] - [ -0.0064631200000000, 0.0004206500000000, -0.0026184700000000 ] - [ -0.0002181900000000, 0.0002052300000000, -0.0005651400000000 ] - [ -0.0001832800000000, -0.0005847200000000, 0.0044098200000000 ] - [ -0.0002129500000000, 0.0000658600000000, -0.0000496200000000 ] - [ -0.0013814700000000, -0.0004865700000000, -0.0003687900000000 ] - [ 0.0011710300000000, -0.0002108100000000, -0.0019426800000000 ] - [ -0.0051209800000000, -0.0086954400000000, 0.0003146600000000 ] - [ 0.0007672800000000, 0.0004319300000000, -0.0043686000000000 ] - [ -0.0005171500000000, 0.0005197800000000, 0.0008345500000000 ] - [ -0.0003284500000000, -0.0001739600000000, -0.0011966300000000 ] - [ -0.0002570300000000, 0.0001427600000000, -0.0002164100000000 ] - [ -0.0000651900000000, -0.0000191600000000, 0.0001297400000000 ] - [ -0.0005242700000000, -0.0005164900000000, 0.0008182900000000 ] - [ 0.0014897500000000, -0.0000598600000000, 0.0023595600000000 ] - [ 0.0000874800000000, -0.0002304200000000, 0.0001850300000000 ] - [ -0.0002138000000000, 0.0003551400000000, 0.0000408100000000 ] - [ -0.0001920300000000, -0.0003476500000000, 0.0000117100000000 ] - [ -0.0000282900000000, 0.0002451300000000, -0.0003885000000000 ] - [ 0.0001294200000000, 0.0002146400000000, 0.0002730400000000 ] - [ -0.0047949600000000, -0.0009795300000000, 0.0055310200000000 ] - [ -0.0000915300000000, -0.0000855300000000, -0.0002614000000000 ] - [ -0.0004456600000000, 0.0001497600000000, -0.0003598900000000 ] - [ -0.0001243500000000, -0.0003832600000000, -0.0002160200000000 ] - [ -0.0000689900000000, -0.0000719600000000, 0.0001280700000000 ] - [ -0.0043533500000000, -0.0013804600000000, 0.0001606900000000 ] - [ -0.0005411400000000, 0.0005469600000000, 0.0011109900000000 ] - [ -0.0003313500000000, 0.0000438700000000, -0.0004436800000000 ] - [ -0.0015209200000000, 0.0009326400000000, 0.0013860700000000 ] - [ 0.0002484400000000, -0.0006415600000000, 0.0009988800000000 ] - [ 0.0003174400000000, 0.0000047900000000, 0.0001591400000000 ] - [ 0.0102453200000000, -0.0025867800000000, 0.0109138900000000 ] - [ 0.0000584600000000, 0.0000911800000000, -0.0004811900000000 ] - [ -0.0021030300000000, -0.0001695100000000, 0.0019177100000000 ] - [ 0.0004108500000000, -0.0006309300000000, 0.0004060500000000 ] - [ 0.0004137900000000, 0.0006287800000000, 0.0004096300000000 ] - [ 0.0001334500000000, 0.0000647000000000, -0.0001509800000000 ] - [ 0.0000549400000000, -0.0000892900000000, -0.0004840800000000 ] - [ -0.0000560100000000, -0.0001495700000000, -0.0004144000000000 ] - [ 0.0030580300000000, 0.0025709800000000, -0.0018098900000000 ] - [ 0.0073636300000000, 0.0052746700000000, -0.0009139300000000 ] - [ 0.0002896900000000, -0.0000208500000000, 0.0000004700000000 ] - [ -0.0004252200000000, -0.0001535300000000, -0.0003416500000000 ] - [ 0.0002333000000000, 0.0000898900000000, -0.0004181600000000 ] - [ -0.0001600300000000, -0.0000941200000000, -0.0003320600000000 ] - [ 0.0004085000000000, 0.0006068200000000, 0.0001792200000000 ] - [ 0.0004900900000000, 0.0000718100000000, 0.0003100500000000 ] - [ 0.0000746200000000, -0.0000258200000000, -0.0003068800000000 ] - [ 0.0003179700000000, -0.0000064700000000, 0.0001513900000000 ] - [ 0.0000904400000000, 0.0000513000000000, 0.0032074400000000 ] - [ 0.0000255300000000, 0.0000132300000000, -0.0001990600000000 ] - [ 0.0003746400000000, -0.0001973500000000, -0.0001982400000000 ] - [ 0.0011969900000000, 0.0014485900000000, -0.0009405600000000 ] - [ -0.0001909200000000, 0.0004138300000000, -0.0001638800000000 ] - [ 0.0007865400000000, 0.0002437500000000, -0.0001823200000000 ] - [ -0.0191254900000000, -0.0086311300000000, -0.0670735100000000 ] - [ -0.0003657900000000, -0.0004982600000000, 0.0002866300000000 ] - [ -0.0003239300000000, -0.0000355500000000, -0.0004641100000000 ] - [ 0.0002938200000000, -0.0000063700000000, -0.0002741100000000 ] - [ -0.0013664200000000, -0.0015181800000000, 0.0024337900000000 ] - [ -0.0006144800000000, -0.0002919400000000, 0.0023419500000000 ] - [ 0.0001440100000000, 0.0003871800000000, -0.0000559800000000 ] - [ 0.0003227600000000, 0.0000233200000000, -0.0000093200000000 ] - [ 0.0002901000000000, -0.0000030800000000, -0.0002970600000000 ] - [ 0.0004249900000000, -0.0001891900000000, -0.0006267500000000 ] - [ -0.0142413800000000, -0.0077912700000000, -0.0048921600000000 ] - [ -0.0001282500000000, 0.0001719500000000, -0.0001743000000000 ] - [ -0.0006308600000000, -0.0008372900000000, -0.0015803300000000 ] - [ -0.0002525800000000, 0.0000474100000000, -0.0002518500000000 ] - [ 0.0006783200000000, 0.0010799500000000, 0.0038571100000000 ] - [ 0.0003812700000000, 0.0003343200000000, -0.0012679700000000 ] - [ -0.0007762000000000, -0.0007544600000000, -0.0003539900000000 ] - [ -0.0001119800000000, -0.0001065800000000, 0.0000759800000000 ] - [ -0.0001663600000000, -0.0001607200000000, 0.0005580700000000 ] - [ 0.0002894700000000, 0.0001392100000000, 0.0001646600000000 ] - [ -0.0003208500000000, 0.0004395000000000, 0.0010042000000000 ] - [ 0.0001146800000000, -0.0003105500000000, -0.0001118300000000 ] - [ -0.0000023000000000, 0.0000328500000000, -0.0001408800000000 ] - [ -0.0005951100000000, -0.0001703300000000, 0.0030837900000000 ] - [ -0.0003751400000000, 0.0001465900000000, 0.0003938300000000 ] - [ -0.0007835500000000, 0.0007511600000000, 0.0017018400000000 ] - [ -0.0003686600000000, -0.0001448800000000, 0.0003932300000000 ] - [ 0.0036593700000000, 0.0027875600000000, 0.0030573600000000 ] - [ 0.0005494600000000, -0.0016816600000000, 0.0036249200000000 ] - [ -0.0000016000000000, 0.0000373800000000, -0.0000817700000000 ] - [ 0.0020051900000000, -0.0000727000000000, 0.0017563600000000 ] - [ 0.0002728100000000, -0.0001550200000000, -0.0000365500000000 ] - [ 0.0002751100000000, -0.0001415200000000, 0.0001568500000000 ] - [ 0.0002137400000000, 0.0003782700000000, -0.0000740900000000 ] - [ 0.0013019600000000, 0.0001462600000000, 0.0010821600000000 ] - [ -0.0007577800000000, -0.0002681800000000, 0.0000988200000000 ] - [ 0.0000515000000000, 0.0001892900000000, -0.0005442700000000 ] - [ -0.0005384000000000, 0.0000730500000000, -0.0005454400000000 ] - [ 0.0003564500000000, 0.0003811800000000, -0.0002249300000000 ] - [ 0.0002615800000000, 0.0001073500000000, 0.0000533400000000 ] - [ 0.0002492600000000, -0.0000531600000000, -0.0003378400000000 ] - [ 0.0027790800000000, 0.0021525600000000, -0.0053623200000000 ] - [ 0.0001289400000000, -0.0004649500000000, 0.0003547700000000 ] - [ 0.0005064400000000, -0.0001551200000000, -0.0002161600000000 ] - [ 0.0005360400000000, -0.0001391400000000, -0.0001105600000000 ] - [ 0.0000824700000000, 0.0002865500000000, -0.0001025700000000 ] - [ 0.0000549800000000, 0.0002771400000000, -0.0000783000000000 ] - [ 0.0003541100000000, 0.0001018600000000, -0.0001834800000000 ] - [ -0.0000509500000000, 0.0004066000000000, 0.0007817400000000 ] - [ -0.0000709900000000, -0.0004168900000000, 0.0001338800000000 ] - [ -0.0038139900000000, 0.0012612400000000, -0.0040826800000000 ] - [ -0.0001738000000000, -0.0001370700000000, 0.0001515500000000 ] - [ 0.0002135700000000, -0.0003810800000000, -0.0000708800000000 ] - [ -0.0000495800000000, -0.0004068900000000, 0.0007865700000000 ] - [ -0.0001498800000000, 0.0004613800000000, 0.0000935700000000 ] - [ -0.0037721600000000, -0.0000304600000000, -0.0013675800000000 ] - [ 0.0016907600000000, -0.0003402600000000, -0.0014803300000000 ] - [ 0.0002599300000000, -0.0003740800000000, -0.0002834200000000 ] - [ 0.0001285000000000, 0.0004667300000000, 0.0003433400000000 ] - [ -0.0000391200000000, 0.0001178900000000, -0.0001442400000000 ] - [ 0.0000071200000000, -0.0000448900000000, -0.0001945200000000 ] - [ -0.0000359200000000, 0.0001360000000000, -0.0000908600000000 ] - [ -0.0001671300000000, 0.0001677000000000, 0.0005749600000000 ]- atom: 82 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0000144300000000, 0.0001078100000000, -0.0003194300000000 ] - [ -0.0002860300000000, -0.0002549200000000, 0.0001760700000000 ] - [ 0.0001190100000000, -0.0001263100000000, -0.0002760200000000 ] - [ -0.0002668400000000, 0.0002538400000000, 0.0001787700000000 ] - [ 0.0003195500000000, 0.0001217100000000, -0.0002686100000000 ] - [ 0.0004966900000000, -0.0002500200000000, 0.0005718600000000 ] - [ -0.0000943600000000, -0.0001080900000000, -0.0002323500000000 ] - [ -0.0008393500000000, 0.0002116200000000, 0.0000794300000000 ] - [ 0.0005894100000000, 0.0001835000000000, -0.0005369800000000 ] - [ 0.0002069000000000, -0.0001721500000000, -0.0001090100000000 ] - [ 0.0001832500000000, 0.0002411900000000, 0.0001046100000000 ] - [ 0.0001931400000000, -0.0002391900000000, 0.0000978000000000 ] - [ 0.0000832300000000, 0.0001369400000000, -0.0004682600000000 ] - [ 0.0005995100000000, -0.0001707900000000, -0.0002348200000000 ] - [ -0.0004692300000000, 0.0002742400000000, 0.0069693800000000 ] - [ 0.0021165200000000, 0.0078627100000000, -0.0189656100000000 ] - [ 0.0001986900000000, -0.0000391500000000, -0.0000207300000000 ] - [ 0.0008276000000000, -0.0008242300000000, 0.0004350600000000 ] - [ 0.0008321500000000, 0.0008262100000000, 0.0004443900000000 ] - [ -0.0291110100000000, -0.0237340600000000, -0.0459294500000000 ] - [ 0.0007395600000000, 0.0000213400000000, -0.0001057100000000 ] - [ -0.0011731200000000, 0.0005807900000000, -0.0001525500000000 ] - [ 0.0001757400000000, -0.0001141500000000, -0.0005344800000000 ] - [ -0.0021338700000000, -0.0009850900000000, 0.0059187000000000 ] - [ 0.0007665100000000, -0.0000145200000000, -0.0002541500000000 ] - [ 0.0002166200000000, 0.0002323800000000, 0.0023812400000000 ] - [ -0.0040418200000000, 0.0004203200000000, 0.0041953400000000 ] - [ 0.0065983300000000, -0.0010950200000000, 0.0025053800000000 ] - [ 0.0006142500000000, -0.0000422300000000, 0.0003621100000000 ] - [ 0.0008216900000000, 0.0010023900000000, -0.0039775200000000 ] - [ 0.0001836100000000, 0.0000354300000000, -0.0000456900000000 ] - [ 0.0014928300000000, 0.0003238100000000, -0.0001191200000000 ] - [ -0.0011888800000000, 0.0001072900000000, 0.0018487800000000 ] - [ 0.0063727400000000, 0.0070390700000000, 0.0006000600000000 ] - [ 0.0005202400000000, 0.0012132800000000, 0.0051882000000000 ] - [ -0.0000624500000000, 0.0006302800000000, 0.0008293400000000 ] - [ 0.0011523100000000, 0.0001222200000000, 0.0008633700000000 ] - [ 0.0003585400000000, 0.0000287400000000, -0.0002499900000000 ] - [ 0.0004556600000000, -0.0001437400000000, -0.0003333700000000 ] - [ -0.0000552300000000, -0.0006336700000000, 0.0008455500000000 ] - [ -0.0006783100000000, 0.0001184400000000, -0.0026936600000000 ] - [ 0.0005976400000000, -0.0002039800000000, 0.0001943200000000 ] - [ 0.0002750800000000, 0.0003332700000000, -0.0000823900000000 ] - [ 0.0002532000000000, -0.0003409500000000, -0.0000525900000000 ] - [ 0.0004209300000000, -0.0000829200000000, 0.0001870300000000 ] - [ 0.0005554200000000, 0.0002196500000000, 0.0001058600000000 ] - [ 0.0047666100000000, 0.0010704200000000, -0.0056079300000000 ] - [ 0.0001927200000000, -0.0000861200000000, -0.0002040700000000 ] - [ -0.0005955100000000, 0.0001213800000000, -0.0003336900000000 ] - [ -0.0004413600000000, -0.0005522600000000, -0.0001060900000000 ] - [ -0.0002599500000000, -0.0001629900000000, -0.0001692100000000 ] - [ 0.0038355400000000, 0.0011322400000000, 0.0009634400000000 ] - [ 0.0008123500000000, -0.0001022500000000, -0.0007017300000000 ] - [ -0.0005076500000000, 0.0000113700000000, -0.0005303500000000 ] - [ 0.0014349300000000, -0.0013753800000000, -0.0015147900000000 ] - [ -0.0003842700000000, 0.0007658300000000, -0.0013109600000000 ] - [ 0.0001643700000000, 0.0000418900000000, 0.0001805100000000 ] - [ -0.0114876500000000, 0.0030596800000000, -0.0104317700000000 ] - [ -0.0001491900000000, 0.0000252200000000, -0.0004934100000000 ] - [ 0.0010106500000000, -0.0002131900000000, -0.0012168300000000 ] - [ 0.0002574400000000, -0.0006727100000000, 0.0004042600000000 ] - [ 0.0002546400000000, 0.0006747600000000, 0.0004009600000000 ] - [ -0.0000682300000000, 0.0000219300000000, -0.0002811200000000 ] - [ -0.0001456000000000, -0.0000272600000000, -0.0004907100000000 ] - [ 0.0003964600000000, -0.0002089900000000, 0.0004067400000000 ] - [ -0.0026796200000000, -0.0029208700000000, 0.0021909100000000 ] - [ -0.0072091400000000, -0.0045235300000000, 0.0008654500000000 ] - [ -0.0000689800000000, -0.0000273300000000, -0.0001228600000000 ] - [ -0.0006162000000000, -0.0001175900000000, -0.0003519200000000 ] - [ 0.0000549200000000, 0.0001957500000000, -0.0002863900000000 ] - [ -0.0005132100000000, 0.0000623600000000, -0.0002180300000000 ] - [ -0.0000846900000000, 0.0000505900000000, -0.0007783000000000 ] - [ -0.0001556400000000, 0.0002859800000000, -0.0002921500000000 ] - [ -0.0000070900000000, -0.0000597600000000, -0.0001296000000000 ] - [ 0.0001639700000000, -0.0000399800000000, 0.0001882700000000 ] - [ -0.0000350100000000, -0.0010650400000000, -0.0024791700000000 ] - [ 0.0006017000000000, -0.0001933900000000, -0.0002380400000000 ] - [ -0.0000913800000000, -0.0000893200000000, -0.0005064700000000 ] - [ -0.0012904200000000, -0.0010366100000000, 0.0008618500000000 ] - [ -0.0003754300000000, 0.0005219300000000, -0.0001589400000000 ] - [ -0.0001616100000000, -0.0000661900000000, -0.0002470800000000 ] - [ 0.0182464700000000, 0.0086179000000000, 0.0685666300000000 ] - [ -0.0000271800000000, -0.0004162800000000, -0.0000143100000000 ] - [ -0.0005147000000000, -0.0000196200000000, -0.0005098500000000 ] - [ 0.0000953800000000, -0.0000799200000000, -0.0002502900000000 ] - [ 0.0016151600000000, 0.0007137000000000, -0.0025414700000000 ] - [ 0.0002377100000000, -0.0004025100000000, -0.0008151100000000 ] - [ -0.0005405700000000, 0.0005330500000000, 0.0003401000000000 ] - [ -0.0001003500000000, 0.0000251000000000, -0.0001125000000000 ] - [ 0.0000993900000000, 0.0000891400000000, -0.0002283300000000 ] - [ -0.0000729800000000, -0.0004822000000000, 0.0000435300000000 ] - [ 0.0142505900000000, 0.0086671200000000, 0.0056016000000000 ] - [ -0.0001996900000000, 0.0000637000000000, 0.0001337800000000 ] - [ 0.0005048100000000, 0.0007111100000000, 0.0012501600000000 ] - [ -0.0004215700000000, -0.0000158800000000, -0.0002989500000000 ] - [ -0.0011766500000000, -0.0008201900000000, -0.0027298700000000 ] - [ -0.0014202000000000, -0.0000574900000000, 0.0005759400000000 ] - [ 0.0002140900000000, -0.0001792100000000, 0.0000312100000000 ] - [ -0.0002166800000000, -0.0001285400000000, -0.0001167300000000 ] - [ -0.0003063000000000, -0.0001107200000000, 0.0005851700000000 ] - [ -0.0000043700000000, 0.0002967500000000, 0.0002448900000000 ] - [ -0.0005218000000000, -0.0003842400000000, -0.0019757000000000 ] - [ -0.0001929200000000, -0.0001338300000000, -0.0000125100000000 ] - [ -0.0001260800000000, 0.0000865100000000, -0.0001717500000000 ] - [ 0.0010702800000000, 0.0002164200000000, -0.0027419200000000 ] - [ -0.0006773600000000, 0.0002252400000000, 0.0003124000000000 ] - [ 0.0006844800000000, -0.0006490900000000, -0.0027001100000000 ] - [ -0.0006834300000000, -0.0002264800000000, 0.0003132500000000 ] - [ -0.0029490100000000, -0.0040302400000000, -0.0022110600000000 ] - [ 0.0000983100000000, 0.0029928500000000, -0.0028149500000000 ] - [ 0.0000680700000000, 0.0000489700000000, -0.0003537500000000 ] - [ -0.0020878100000000, -0.0000296200000000, -0.0027034800000000 ] - [ 0.0000651600000000, -0.0002033200000000, 0.0000457900000000 ] - [ 0.0000101700000000, -0.0002944000000000, 0.0002529300000000 ] - [ 0.0000495300000000, 0.0004234000000000, -0.0000413100000000 ] - [ -0.0010838700000000, -0.0001930600000000, -0.0012009800000000 ] - [ -0.0002866700000000, -0.0000023000000000, -0.0007929900000000 ] - [ 0.0002352000000000, 0.0000971000000000, -0.0001601400000000 ] - [ -0.0001335300000000, -0.0001075000000000, -0.0000065600000000 ] - [ -0.0000212600000000, 0.0002828700000000, -0.0003668800000000 ] - [ 0.0000758700000000, 0.0002518500000000, -0.0000447700000000 ] - [ -0.0001829000000000, -0.0000331000000000, -0.0000950700000000 ] - [ -0.0023026600000000, -0.0021525100000000, 0.0057175500000000 ] - [ -0.0000614500000000, -0.0005483700000000, 0.0003701200000000 ] - [ 0.0001210500000000, -0.0000238800000000, -0.0002164300000000 ] - [ -0.0002512600000000, -0.0001468900000000, -0.0005944800000000 ] - [ -0.0001600500000000, 0.0001578700000000, -0.0000225700000000 ] - [ -0.0006220400000000, 0.0006588700000000, -0.0002432700000000 ] - [ 0.0002738200000000, 0.0000773400000000, -0.0002498300000000 ] - [ -0.0003114900000000, 0.0002936900000000, 0.0007466100000000 ] - [ -0.0003229800000000, -0.0005007300000000, 0.0001444000000000 ] - [ 0.0029668300000000, -0.0013230300000000, 0.0031085200000000 ] - [ 0.0005600000000000, 0.0000501800000000, -0.0006756600000000 ] - [ 0.0000495900000000, -0.0004207300000000, -0.0000444600000000 ] - [ -0.0003128800000000, -0.0002934700000000, 0.0007413800000000 ] - [ -0.0002436700000000, 0.0004557200000000, 0.0001841500000000 ] - [ 0.0040212300000000, 0.0000805500000000, 0.0012462300000000 ] - [ -0.0012918900000000, 0.0004205300000000, 0.0009517600000000 ] - [ 0.0000760700000000, -0.0002901100000000, -0.0003078400000000 ] - [ -0.0000610100000000, 0.0005465200000000, 0.0003813400000000 ] - [ -0.0002891300000000, 0.0001172700000000, 0.0001037300000000 ] - [ -0.0001354100000000, -0.0000744000000000, -0.0001176800000000 ] - [ -0.0006389200000000, -0.0001048800000000, -0.0004585600000000 ] - [ -0.0003054900000000, 0.0001035500000000, 0.0005680200000000 ]- atom: 83 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0006112100000000, 0.0006370100000000, -0.0014927800000000 ] - [ -0.0008828100000000, -0.0003991000000000, -0.0004623300000000 ] - [ -0.0001815900000000, -0.0003595500000000, 0.0009142600000000 ] - [ -0.0005046200000000, 0.0002582000000000, 0.0005544300000000 ] - [ -0.0004470200000000, 0.0001245600000000, -0.0003090900000000 ] - [ -0.0007092300000000, -0.0002869700000000, 0.0000909000000000 ] - [ -0.0004304000000000, -0.0001247000000000, -0.0003044800000000 ] - [ -0.0006542600000000, 0.0002808200000000, 0.0001269400000000 ] - [ 0.0032368300000000, 0.0010712500000000, 0.0028043900000000 ] - [ 0.0065532500000000, -0.0033078000000000, -0.0036730200000000 ] - [ -0.0022633000000000, 0.0004170700000000, -0.0000766400000000 ] - [ -0.0008350600000000, -0.0002659200000000, 0.0002665000000000 ] - [ -0.0012560400000000, 0.0000523200000000, -0.0003795700000000 ] - [ -0.0012714100000000, -0.0000489300000000, -0.0003954700000000 ] - [ -0.0019289400000000, 0.0005296800000000, -0.0004469900000000 ] - [ -0.0012217400000000, -0.0001806400000000, 0.0004747000000000 ] - [ -0.0014889000000000, -0.0002773300000000, 0.0005071200000000 ] - [ -0.0003212600000000, -0.0007702900000000, -0.0000615100000000 ] - [ -0.0004524200000000, 0.0006808700000000, 0.0006198000000000 ] - [ -0.0015561900000000, 0.0001541200000000, 0.0022018100000000 ] - [ -0.0045486300000000, 0.0013917800000000, 0.0018097600000000 ] - [ 0.0859617600000000, 0.0696011700000000, -0.0592224300000000 ] - [ 0.0089780500000000, 0.0019145300000000, -0.0027415700000000 ] - [ -0.0007710300000000, -0.0009369900000000, -0.0006502000000000 ] - [ 0.0016680600000000, -0.0004334800000000, 0.0001106600000000 ] - [ 0.0060980000000000, 0.0009140700000000, -0.0032466800000000 ] - [ -0.0035930000000000, 0.0027265100000000, 0.0026048600000000 ] - [ 0.0009091400000000, 0.0000211400000000, -0.0000652800000000 ] - [ 0.0055146300000000, 0.0024080800000000, 0.0143297000000000 ] - [ 0.0033920100000000, 0.0030865600000000, 0.0074071000000000 ] - [ -0.0005093300000000, 0.0000057800000000, -0.0006607800000000 ] - [ 0.0038226800000000, -0.0003175500000000, 0.0022765400000000 ] - [ -0.0009475200000000, -0.0001159000000000, -0.0001930100000000 ] - [ -0.0007078000000000, -0.0008652100000000, 0.0004203700000000 ] - [ -0.0000164600000000, 0.0006629800000000, 0.0002626700000000 ] - [ -0.0013053000000000, 0.0003616700000000, 0.0007817800000000 ] - [ -0.0013274300000000, -0.0002583800000000, -0.0001593500000000 ] - [ -0.0010900000000000, 0.0002392400000000, -0.0002529500000000 ] - [ -0.0008977100000000, -0.0003887500000000, -0.0002934600000000 ] - [ -0.0015839300000000, -0.0002221000000000, 0.0008249800000000 ] - [ -0.0012976900000000, 0.0002411900000000, -0.0000316300000000 ] - [ -0.0008507300000000, -0.0002448700000000, 0.0003970400000000 ] - [ -0.0011706800000000, 0.0003543700000000, 0.0001333500000000 ] - [ -0.0011041100000000, -0.0003993200000000, 0.0002950900000000 ] - [ -0.0008937500000000, 0.0003923300000000, -0.0002981700000000 ] - [ -0.0008049100000000, 0.0002554400000000, 0.0003564400000000 ] - [ -0.0011174700000000, 0.0001190400000000, -0.0000314500000000 ] - [ -0.0010783300000000, -0.0002367100000000, -0.0002219800000000 ] - [ -0.0003414600000000, 0.0002322600000000, 0.0000882400000000 ] - [ -0.0005543500000000, -0.0004485800000000, -0.0006613000000000 ] - [ 0.0042871200000000, 0.0024550000000000, -0.0109512300000000 ] - [ 0.0002805200000000, -0.0000764600000000, -0.0009693100000000 ] - [ -0.0009655300000000, 0.0009320400000000, 0.0019983900000000 ] - [ 0.0003674700000000, 0.0000281900000000, -0.0004570300000000 ] - [ 0.0065249000000000, -0.0029451500000000, -0.0036235600000000 ] - [ -0.0014695900000000, -0.0005026100000000, 0.0010955200000000 ] - [ 0.0008209700000000, -0.0000973800000000, -0.0001462600000000 ] - [ -0.0007094600000000, 0.0003281800000000, 0.0001576600000000 ] - [ 0.0004686500000000, 0.0001893300000000, -0.0007215800000000 ] - [ 0.0021028200000000, 0.0001299100000000, 0.0009395700000000 ] - [ 0.0008005400000000, -0.0004013200000000, 0.0007066000000000 ] - [ 0.0006435300000000, 0.0006875000000000, 0.0001444300000000 ] - [ 0.0007740900000000, -0.0002695600000000, -0.0044693800000000 ] - [ 0.0004544200000000, -0.0002447000000000, -0.0001845200000000 ] - [ -0.0062515500000000, -0.0046205700000000, -0.0044418900000000 ] - [ 0.0007314100000000, -0.0001364200000000, -0.0017554000000000 ] - [ 0.0006635500000000, 0.0000922500000000, -0.0004745500000000 ] - [ 0.0026123700000000, -0.0001765500000000, 0.0006008000000000 ] - [ 0.0000208000000000, -0.0002163600000000, -0.0008710500000000 ] - [ -0.0022797100000000, 0.0001278300000000, -0.0004224700000000 ] - [ -0.0008608200000000, 0.0001044300000000, -0.0007287900000000 ] - [ -0.0059965200000000, 0.0025919700000000, 0.0005771200000000 ] - [ -0.0029180200000000, 0.0025914300000000, -0.0014998900000000 ] - [ -0.0006704500000000, 0.0015601400000000, 0.0073423200000000 ] - [ 0.0004167100000000, 0.0000236900000000, 0.0003324300000000 ] - [ 0.0002278700000000, -0.0002607700000000, 0.0009037100000000 ] - [ -0.0176918900000000, -0.0050873000000000, 0.0079952700000000 ] - [ -0.0000104500000000, -0.0003301400000000, -0.0038530900000000 ] - [ -0.0012612200000000, -0.0006800900000000, -0.0004044400000000 ] - [ 0.0046405500000000, -0.0007321400000000, -0.0005978900000000 ] - [ -0.0018705000000000, -0.0006724500000000, -0.0017111900000000 ] - [ 0.0004847900000000, 0.0006842700000000, 0.0006033000000000 ] - [ -0.0913459200000000, -0.0745272800000000, 0.0634674600000000 ] - [ -0.0002805300000000, -0.0001341300000000, -0.0002724500000000 ] - [ 0.0011174400000000, 0.0004001100000000, -0.0008623300000000 ] - [ 0.0003115800000000, -0.0004718400000000, 0.0002779900000000 ] - [ 0.0002708000000000, -0.0005097700000000, 0.0011136000000000 ] - [ -0.0014372400000000, 0.0003213100000000, -0.0005019900000000 ] - [ -0.0000544200000000, 0.0000914700000000, -0.0004596000000000 ] - [ 0.0001803200000000, 0.0001151500000000, 0.0000537300000000 ] - [ -0.0033584000000000, 0.0008567100000000, -0.0028877700000000 ] - [ 0.0007094200000000, 0.0003622600000000, -0.0004547100000000 ] - [ -0.0014852900000000, -0.0004418500000000, 0.0002154600000000 ] - [ 0.0012184000000000, -0.0008076200000000, -0.0095900800000000 ] - [ 0.0022790700000000, 0.0015178100000000, 0.0005364000000000 ] - [ -0.0004635100000000, 0.0000528500000000, 0.0008642000000000 ] - [ -0.0000716200000000, 0.0002081100000000, -0.0003856900000000 ] - [ 0.0003326100000000, -0.0001320300000000, -0.0003108900000000 ] - [ 0.0001719200000000, -0.0001120000000000, 0.0000021400000000 ] - [ 0.0001038600000000, -0.0002861800000000, 0.0005963200000000 ] - [ 0.0008754600000000, -0.0001937400000000, -0.0000227000000000 ] - [ 0.0000313000000000, 0.0001164700000000, -0.0002516200000000 ] - [ 0.0006574600000000, -0.0006009900000000, -0.0002762500000000 ] - [ 0.0002708600000000, -0.0000402800000000, -0.0002234100000000 ] - [ 0.0005285600000000, -0.0000751400000000, 0.0002555500000000 ] - [ 0.0001633200000000, -0.0000186600000000, 0.0004892200000000 ] - [ 0.0003199100000000, 0.0002079900000000, -0.0004624700000000 ] - [ 0.0003357200000000, 0.0000100100000000, 0.0006267200000000 ] - [ 0.0007788500000000, -0.0005560000000000, 0.0004696400000000 ] - [ 0.0006666200000000, 0.0005539100000000, 0.0003567200000000 ] - [ 0.0003933500000000, 0.0000504800000000, -0.0002737900000000 ] - [ 0.0006466900000000, -0.0001850100000000, -0.0005039200000000 ] - [ 0.0006462600000000, 0.0000459600000000, 0.0000220100000000 ] - [ 0.0008103200000000, 0.0001446600000000, -0.0000099900000000 ] - [ 0.0004898200000000, 0.0003229500000000, -0.0001581800000000 ] - [ 0.0011654500000000, -0.0000192100000000, 0.0002538900000000 ] - [ -0.0001164800000000, -0.0002214700000000, -0.0003473700000000 ] - [ 0.0009357900000000, 0.0001831700000000, -0.0001173100000000 ] - [ 0.0003134000000000, -0.0002856300000000, -0.0003730700000000 ] - [ 0.0009004000000000, 0.0005609400000000, -0.0000681300000000 ] - [ 0.0006467000000000, -0.0000447200000000, 0.0000048300000000 ] - [ 0.0003997200000000, -0.0000518700000000, -0.0002731700000000 ] - [ 0.0007114900000000, 0.0000463200000000, -0.0000684000000000 ] - [ 0.0005215900000000, -0.0003307800000000, 0.0002255900000000 ] - [ 0.0009129000000000, -0.0002947900000000, -0.0001685800000000 ] - [ 0.0009459300000000, -0.0001799700000000, -0.0001069000000000 ] - [ 0.0006403900000000, 0.0006065900000000, -0.0002992200000000 ] - [ 0.0003531300000000, 0.0001222200000000, -0.0002946000000000 ] - [ 0.0009067200000000, 0.0002936900000000, -0.0001741700000000 ] - [ 0.0003160900000000, 0.0005844000000000, 0.0008970900000000 ] - [ 0.0002642500000000, -0.0003405500000000, 0.0000185000000000 ] - [ 0.0000380700000000, -0.0000658500000000, -0.0003848900000000 ] - [ 0.0006538400000000, 0.0001568500000000, -0.0003571000000000 ] - [ 0.0005956400000000, -0.0002633800000000, -0.0001066000000000 ] - [ 0.0006278000000000, -0.0006859700000000, 0.0008227500000000 ] - [ 0.0002622300000000, 0.0003372500000000, 0.0000106400000000 ] - [ 0.0010281100000000, 0.0000127100000000, 0.0001850900000000 ] - [ 0.0007085200000000, -0.0001694900000000, -0.0003963700000000 ] - [ 0.0008805500000000, -0.0005552300000000, -0.0000743100000000 ] - [ 0.0004950400000000, 0.0002766400000000, 0.0003655200000000 ] - [ 0.0001750900000000, 0.0001111100000000, -0.0000031700000000 ] - [ 0.0002658800000000, 0.0000490900000000, -0.0001991600000000 ] - [ 0.0003233800000000, 0.0002904600000000, -0.0003501700000000 ] - [ 0.0001192400000000, 0.0002706000000000, 0.0004985100000000 ]- atom: 83 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0006502700000000, -0.0004033200000000, 0.0009041600000000 ] - [ 0.0001999000000000, -0.0001181700000000, 0.0007994500000000 ] - [ 0.0001484600000000, 0.0001202600000000, -0.0015158100000000 ] - [ -0.0001819000000000, 0.0002601100000000, -0.0002247000000000 ] - [ 0.0004185100000000, 0.0001120600000000, -0.0002882900000000 ] - [ 0.0000247000000000, -0.0002317700000000, 0.0002412400000000 ] - [ 0.0004020500000000, -0.0001126500000000, -0.0002930400000000 ] - [ -0.0000299400000000, 0.0002372000000000, 0.0002053000000000 ] - [ -0.0030274000000000, -0.0007677600000000, -0.0035100200000000 ] - [ -0.0066291000000000, 0.0026047300000000, 0.0030016200000000 ] - [ 0.0020872400000000, 0.0000912500000000, 0.0002767000000000 ] - [ 0.0006485200000000, -0.0002433800000000, -0.0000684800000000 ] - [ 0.0014782300000000, 0.0002513200000000, -0.0003199500000000 ] - [ 0.0014935000000000, -0.0002548200000000, -0.0003040400000000 ] - [ 0.0017429100000000, -0.0000190000000000, 0.0006417000000000 ] - [ 0.0010425500000000, -0.0003277100000000, -0.0002739100000000 ] - [ 0.0014692500000000, 0.0001777300000000, -0.0006071500000000 ] - [ 0.0015818400000000, -0.0008465900000000, 0.0008923000000000 ] - [ 0.0017134500000000, 0.0009362900000000, 0.0002062100000000 ] - [ 0.0009916800000000, 0.0010003000000000, -0.0005268300000000 ] - [ 0.0054048000000000, -0.0014674100000000, -0.0021626100000000 ] - [ -0.0852985600000000, -0.0677073500000000, 0.0570047600000000 ] - [ -0.0085877000000000, -0.0020695500000000, 0.0025102100000000 ] - [ 0.0002078300000000, -0.0002211200000000, 0.0023046400000000 ] - [ -0.0008515900000000, 0.0004850000000000, -0.0004412600000000 ] - [ -0.0053382800000000, -0.0013938900000000, 0.0036656300000000 ] - [ 0.0036621200000000, -0.0020147600000000, -0.0026132800000000 ] - [ -0.0008315700000000, -0.0007090400000000, 0.0000218600000000 ] - [ -0.0051546900000000, -0.0022474500000000, -0.0145999700000000 ] - [ -0.0026907800000000, -0.0026561900000000, -0.0070355900000000 ] - [ 0.0004841700000000, 0.0000950600000000, 0.0005698200000000 ] - [ -0.0037114700000000, 0.0001449400000000, -0.0027391100000000 ] - [ 0.0009269600000000, 0.0000154200000000, 0.0000975800000000 ] - [ 0.0019673300000000, -0.0007538800000000, 0.0004108100000000 ] - [ 0.0012797300000000, 0.0009538700000000, 0.0005649100000000 ] - [ 0.0007344000000000, 0.0007895700000000, 0.0008831400000000 ] - [ 0.0021604400000000, 0.0002081700000000, -0.0001715300000000 ] - [ 0.0012027100000000, -0.0000696900000000, -0.0002131200000000 ] - [ 0.0013007200000000, 0.0002285700000000, 0.0000923000000000 ] - [ 0.0010147000000000, -0.0009301500000000, 0.0008392500000000 ] - [ 0.0021311300000000, -0.0001913400000000, -0.0002982900000000 ] - [ 0.0015474100000000, -0.0001895300000000, -0.0000194200000000 ] - [ 0.0012420800000000, 0.0003339300000000, -0.0001769800000000 ] - [ 0.0011750500000000, -0.0002889900000000, -0.0003389200000000 ] - [ 0.0012972300000000, -0.0002322800000000, 0.0000970200000000 ] - [ 0.0015012800000000, 0.0001787700000000, 0.0000212500000000 ] - [ 0.0010957700000000, -0.0000186700000000, -0.0000625700000000 ] - [ 0.0011912000000000, 0.0000669300000000, -0.0002444400000000 ] - [ -0.0007003100000000, 0.0000386300000000, -0.0007845100000000 ] - [ -0.0000093100000000, -0.0004855100000000, 0.0003388500000000 ] - [ -0.0046937900000000, -0.0027462800000000, 0.0110338600000000 ] - [ -0.0007586300000000, -0.0001909800000000, 0.0020948300000000 ] - [ 0.0012380800000000, -0.0004874000000000, -0.0015826200000000 ] - [ -0.0012124600000000, 0.0000272500000000, -0.0005165600000000 ] - [ -0.0064402100000000, 0.0024766600000000, 0.0034084600000000 ] - [ 0.0013392300000000, 0.0006252900000000, -0.0014120100000000 ] - [ -0.0003424800000000, 0.0001447300000000, 0.0004874200000000 ] - [ -0.0003528000000000, 0.0000471200000000, 0.0005448400000000 ] - [ -0.0005623800000000, -0.0000726000000000, -0.0002511800000000 ] - [ -0.0031330500000000, -0.0005041100000000, -0.0002325300000000 ] - [ -0.0001355000000000, -0.0009032500000000, 0.0001021400000000 ] - [ 0.0000229900000000, 0.0006149700000000, 0.0006682900000000 ] - [ -0.0007078800000000, 0.0003517300000000, 0.0040508300000000 ] - [ -0.0005483700000000, 0.0001282900000000, -0.0007918200000000 ] - [ 0.0065428900000000, 0.0042138000000000, 0.0044532000000000 ] - [ -0.0004526400000000, -0.0003070500000000, 0.0021635400000000 ] - [ -0.0004034600000000, 0.0007082500000000, 0.0003570000000000 ] - [ -0.0024157300000000, 0.0001316600000000, -0.0007285500000000 ] - [ -0.0010642500000000, -0.0000544500000000, 0.0001814100000000 ] - [ 0.0025634000000000, 0.0001535100000000, -0.0002856100000000 ] - [ 0.0001888900000000, -0.0001365700000000, 0.0001791400000000 ] - [ 0.0063126800000000, -0.0019356400000000, -0.0011991600000000 ] - [ 0.0032539900000000, -0.0022283300000000, 0.0015073000000000 ] - [ 0.0007548500000000, -0.0016707800000000, -0.0078073000000000 ] - [ 0.0000642300000000, -0.0000706000000000, 0.0000054000000000 ] - [ -0.0001656900000000, -0.0007539700000000, -0.0001752100000000 ] - [ 0.0181861300000000, 0.0048860000000000, -0.0083758500000000 ] - [ 0.0002905800000000, 0.0000521000000000, 0.0032010000000000 ] - [ 0.0011751700000000, 0.0011210000000000, 0.0002836800000000 ] - [ -0.0052877200000000, 0.0016804100000000, 0.0002823200000000 ] - [ 0.0024963000000000, 0.0008491600000000, 0.0012776100000000 ] - [ -0.0008538300000000, 0.0000134500000000, 0.0009217100000000 ] - [ 0.0907501200000000, 0.0724949100000000, -0.0614538400000000 ] - [ -0.0005595800000000, 0.0000798000000000, -0.0007031700000000 ] - [ -0.0007326900000000, -0.0004890500000000, 0.0003432200000000 ] - [ -0.0000529000000000, -0.0003318200000000, -0.0003901200000000 ] - [ -0.0006398300000000, -0.0001877400000000, 0.0004149000000000 ] - [ 0.0010422200000000, 0.0005973200000000, 0.0007824000000000 ] - [ 0.0002741800000000, -0.0000433000000000, 0.0003384700000000 ] - [ 0.0002089200000000, -0.0000293100000000, -0.0005807700000000 ] - [ 0.0036878600000000, -0.0015192900000000, 0.0022949700000000 ] - [ -0.0006447500000000, 0.0006537200000000, 0.0011713700000000 ] - [ 0.0011577900000000, 0.0006791200000000, -0.0002537900000000 ] - [ -0.0013314000000000, 0.0007100600000000, 0.0092517600000000 ] - [ -0.0029782700000000, -0.0014965400000000, -0.0010935400000000 ] - [ -0.0000155600000000, 0.0002139000000000, 0.0002779300000000 ] - [ -0.0009721900000000, 0.0000623100000000, -0.0003077200000000 ] - [ -0.0009030800000000, -0.0008059700000000, -0.0000107300000000 ] - [ -0.0005028900000000, -0.0001238000000000, -0.0000434100000000 ] - [ -0.0005793000000000, 0.0000154500000000, 0.0005475100000000 ] - [ -0.0005964700000000, 0.0006335200000000, 0.0004347700000000 ] - [ -0.0008736300000000, -0.0000615900000000, -0.0007233600000000 ] - [ -0.0007411900000000, 0.0001594600000000, 0.0001530500000000 ] - [ -0.0004017700000000, 0.0001610000000000, -0.0000891000000000 ] - [ -0.0000497700000000, 0.0001223100000000, 0.0000850200000000 ] - [ -0.0012213700000000, 0.0003924900000000, 0.0002157600000000 ] - [ -0.0004146600000000, -0.0000915900000000, -0.0005119300000000 ] - [ -0.0013946100000000, -0.0003834400000000, 0.0000775900000000 ] - [ -0.0001129500000000, -0.0007477900000000, 0.0003413400000000 ] - [ -0.0000012800000000, 0.0007494500000000, 0.0004538300000000 ] - [ -0.0003300500000000, 0.0000356600000000, -0.0001582200000000 ] - [ -0.0007387600000000, 0.0000690100000000, -0.0004712400000000 ] - [ -0.0003123100000000, -0.0004062600000000, -0.0000130700000000 ] - [ -0.0005308700000000, -0.0005842400000000, 0.0004222200000000 ] - [ -0.0002293600000000, 0.0004790700000000, 0.0000434300000000 ] - [ -0.0009527600000000, -0.0000289800000000, -0.0003781800000000 ] - [ -0.0009276000000000, -0.0000492000000000, -0.0003462100000000 ] - [ -0.0006575300000000, 0.0001020100000000, -0.0005903600000000 ] - [ -0.0009917100000000, 0.0002558800000000, -0.0001771200000000 ] - [ -0.0005716600000000, 0.0001013900000000, -0.0005257800000000 ] - [ -0.0003129600000000, 0.0004052900000000, 0.0000043800000000 ] - [ -0.0003366100000000, -0.0000341000000000, -0.0001582900000000 ] - [ -0.0002311900000000, -0.0000937200000000, 0.0004061000000000 ] - [ -0.0004577800000000, -0.0006846300000000, 0.0004999600000000 ] - [ -0.0002906500000000, 0.0001177300000000, -0.0002645200000000 ] - [ -0.0006678600000000, -0.0001053600000000, -0.0006006000000000 ] - [ -0.0007234100000000, -0.0001651900000000, 0.0001754900000000 ] - [ -0.0009233300000000, 0.0008154200000000, -0.0000268600000000 ] - [ -0.0002843600000000, -0.0001166800000000, -0.0002591100000000 ] - [ -0.0006824800000000, 0.0001140200000000, 0.0006297800000000 ] - [ -0.0006614000000000, -0.0005781500000000, 0.0002607300000000 ] - [ -0.0008807700000000, 0.0000115400000000, -0.0005911500000000 ] - [ -0.0002682400000000, -0.0002448000000000, -0.0001663900000000 ] - [ -0.0003360000000000, -0.0005393500000000, -0.0000083100000000 ] - [ -0.0009960900000000, -0.0000119700000000, 0.0007044700000000 ] - [ -0.0006596100000000, 0.0005813200000000, 0.0002684700000000 ] - [ -0.0008159100000000, 0.0000358500000000, -0.0003103400000000 ] - [ -0.0003228000000000, 0.0002572500000000, -0.0001278500000000 ] - [ -0.0005515500000000, -0.0001073700000000, -0.0005191600000000 ] - [ -0.0004311600000000, 0.0007390600000000, 0.0003587400000000 ] - [ -0.0005067800000000, 0.0001251900000000, -0.0000384600000000 ] - [ -0.0003967200000000, -0.0001699600000000, -0.0001133100000000 ] - [ -0.0010015100000000, -0.0002608600000000, -0.0001999400000000 ] - [ -0.0005946900000000, 0.0000000200000000, 0.0006458300000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014093600000000, 0.0004572000000000, -0.0006108800000000 ] - [ -0.0005138200000000, -0.0002705700000000, -0.0002194200000000 ] - [ -0.0002051400000000, -0.0003838000000000, 0.0003945300000000 ] - [ -0.0003301200000000, 0.0002521000000000, 0.0004212500000000 ] - [ -0.0001319300000000, 0.0001202800000000, -0.0003086200000000 ] - [ -0.0004426300000000, -0.0002682100000000, 0.0001290300000000 ] - [ -0.0001182300000000, -0.0001199100000000, -0.0002935600000000 ] - [ -0.0004189500000000, 0.0002627700000000, 0.0001733700000000 ] - [ 0.0011541700000000, 0.0005780100000000, 0.0021591600000000 ] - [ 0.0002961100000000, -0.0041001800000000, -0.0053775000000000 ] - [ -0.0009479400000000, 0.0003434500000000, -0.0000147700000000 ] - [ -0.0000422600000000, -0.0002424300000000, 0.0002226700000000 ] - [ -0.0002532500000000, 0.0001265100000000, -0.0003512700000000 ] - [ -0.0002397300000000, -0.0001247800000000, -0.0003675400000000 ] - [ -0.0003702900000000, 0.0002914800000000, -0.0001632800000000 ] - [ -0.0005020300000000, -0.0002154600000000, 0.0004067300000000 ] - [ -0.0005686900000000, -0.0002308600000000, 0.0003258900000000 ] - [ 0.0004186900000000, -0.0008226200000000, 0.0001584600000000 ] - [ 0.0003223800000000, 0.0007590800000000, 0.0005896800000000 ] - [ -0.0015705200000000, -0.0001384800000000, 0.0013147600000000 ] - [ -0.0011054800000000, -0.0002716200000000, 0.0014361900000000 ] - [ 0.0702043800000000, 0.1184909900000000, -0.0837765300000000 ] - [ 0.0047979000000000, -0.0016612600000000, 0.0003853800000000 ] - [ 0.0003082500000000, -0.0008092600000000, 0.0005175400000000 ] - [ 0.0018021500000000, -0.0003308200000000, 0.0003093900000000 ] - [ 0.0068566200000000, -0.0024528400000000, 0.0033314600000000 ] - [ -0.0005712600000000, -0.0013355900000000, -0.0021606200000000 ] - [ 0.0002422100000000, -0.0003207500000000, 0.0014838900000000 ] - [ -0.0003081500000000, 0.0076409800000000, 0.0073305800000000 ] - [ 0.0012886300000000, 0.0045678100000000, 0.0063698600000000 ] - [ 0.0001206700000000, -0.0000204700000000, -0.0003797700000000 ] - [ 0.0003940100000000, -0.0004073700000000, 0.0032377400000000 ] - [ -0.0001979700000000, -0.0000609700000000, -0.0000553200000000 ] - [ 0.0000470900000000, -0.0007144500000000, 0.0000758200000000 ] - [ 0.0006087800000000, 0.0007776800000000, 0.0006246100000000 ] - [ -0.0004967700000000, 0.0005463700000000, 0.0008151100000000 ] - [ -0.0000050000000000, -0.0000827000000000, -0.0001754700000000 ] - [ -0.0002420200000000, 0.0001253800000000, -0.0002477300000000 ] - [ -0.0000903200000000, -0.0001631300000000, -0.0001585000000000 ] - [ -0.0006750500000000, -0.0004578200000000, 0.0008367000000000 ] - [ -0.0000597700000000, 0.0000814000000000, -0.0001104900000000 ] - [ 0.0000291700000000, -0.0002229600000000, 0.0002520800000000 ] - [ -0.0002904100000000, 0.0003379300000000, -0.0000144400000000 ] - [ -0.0002508100000000, -0.0003669000000000, 0.0000922800000000 ] - [ -0.0000774300000000, 0.0001583600000000, -0.0001448000000000 ] - [ 0.0000563600000000, 0.0002289600000000, 0.0002241400000000 ] - [ -0.0003691700000000, 0.0000713400000000, -0.0000773100000000 ] - [ -0.0002395600000000, -0.0001243500000000, -0.0002217300000000 ] - [ -0.0006286400000000, 0.0001646500000000, -0.0000577200000000 ] - [ -0.0005733500000000, -0.0005575200000000, -0.0004544800000000 ] - [ 0.0051701200000000, -0.0001295200000000, -0.0082367800000000 ] - [ 0.0002168300000000, -0.0003467300000000, 0.0013440100000000 ] - [ -0.0010582900000000, 0.0013807800000000, 0.0019074200000000 ] - [ -0.0001050500000000, 0.0000117000000000, -0.0005356800000000 ] - [ -0.0018981700000000, -0.0022620100000000, 0.0019885100000000 ] - [ -0.0007016100000000, 0.0007698700000000, -0.0014166200000000 ] - [ 0.0004655800000000, -0.0000197500000000, -0.0000033500000000 ] - [ -0.0007088900000000, 0.0003467200000000, 0.0000275000000000 ] - [ 0.0000889100000000, 0.0000831700000000, -0.0006453500000000 ] - [ -0.0005727600000000, 0.0002715400000000, 0.0007844200000000 ] - [ 0.0004834900000000, -0.0005299200000000, 0.0006031500000000 ] - [ 0.0003859000000000, 0.0007150200000000, 0.0002389400000000 ] - [ 0.0004752400000000, -0.0005142500000000, -0.0026515600000000 ] - [ 0.0000699400000000, -0.0001153700000000, -0.0002973400000000 ] - [ -0.0054459500000000, -0.0101370800000000, 0.0020679600000000 ] - [ 0.0013917800000000, -0.0001108300000000, -0.0018668300000000 ] - [ 0.0004567200000000, 0.0003157500000000, -0.0002764500000000 ] - [ 0.0013830700000000, 0.0000975600000000, 0.0001669800000000 ] - [ -0.0004080600000000, -0.0001015400000000, -0.0006324500000000 ] - [ -0.0017382900000000, 0.0000897500000000, -0.0010111000000000 ] - [ -0.0006915300000000, 0.0000556400000000, -0.0006660900000000 ] - [ -0.0017696200000000, 0.0163789500000000, -0.0030585100000000 ] - [ -0.0005558100000000, 0.0009408700000000, -0.0016303900000000 ] - [ -0.0008668100000000, 0.0025184100000000, 0.0048150700000000 ] - [ 0.0001999400000000, -0.0000311900000000, 0.0002957800000000 ] - [ -0.0000544700000000, -0.0005106200000000, 0.0003336500000000 ] - [ -0.0040807600000000, 0.0126248500000000, -0.0056677200000000 ] - [ -0.0009516700000000, 0.0011895600000000, -0.0001218800000000 ] - [ -0.0000837100000000, 0.0000689300000000, -0.0007576100000000 ] - [ 0.0011880400000000, -0.0007627300000000, -0.0000351300000000 ] - [ -0.0001612500000000, 0.0000685200000000, -0.0012575000000000 ] - [ 0.0002578400000000, 0.0005793100000000, 0.0007291100000000 ] - [ -0.0747665600000000, -0.1437317800000000, 0.0916056100000000 ] - [ -0.0004975200000000, -0.0000498600000000, -0.0004551600000000 ] - [ 0.0006825400000000, 0.0002040400000000, -0.0005715900000000 ] - [ 0.0000367800000000, -0.0004483400000000, 0.0001211400000000 ] - [ -0.0002772800000000, -0.0002956400000000, 0.0008343300000000 ] - [ -0.0000597100000000, -0.0000137200000000, -0.0011271900000000 ] - [ -0.0002984900000000, 0.0000720000000000, -0.0004423700000000 ] - [ -0.0000406400000000, 0.0001532000000000, -0.0000741000000000 ] - [ -0.0013607100000000, 0.0000968000000000, -0.0022199000000000 ] - [ 0.0005000800000000, 0.0004675300000000, 0.0002538600000000 ] - [ -0.0009348800000000, 0.0001208500000000, -0.0005605800000000 ] - [ 0.0021561800000000, -0.0008874100000000, -0.0091973900000000 ] - [ 0.0028171200000000, 0.0027149200000000, 0.0004811000000000 ] - [ -0.0005830300000000, -0.0003632800000000, -0.0001333600000000 ] - [ -0.0003877900000000, 0.0001609200000000, -0.0003523800000000 ] - [ -0.0001166700000000, -0.0003760800000000, -0.0002071400000000 ] - [ -0.0000811000000000, -0.0001176700000000, -0.0000163100000000 ] - [ -0.0001520000000000, -0.0001778500000000, 0.0005977600000000 ] - [ 0.0003425900000000, 0.0001033900000000, 0.0001447500000000 ] - [ -0.0003367500000000, 0.0000430200000000, -0.0004287000000000 ] - [ 0.0001428800000000, -0.0003182200000000, -0.0001127100000000 ] - [ 0.0000229500000000, 0.0000360500000000, -0.0001793700000000 ] - [ 0.0002925000000000, 0.0000163100000000, 0.0001403300000000 ] - [ -0.0003770700000000, 0.0001320700000000, 0.0003630900000000 ] - [ 0.0000040300000000, 0.0000573400000000, -0.0005514000000000 ] - [ -0.0002705000000000, -0.0001374700000000, 0.0004518800000000 ] - [ 0.0004747400000000, -0.0005644800000000, 0.0005423500000000 ] - [ 0.0004035200000000, 0.0006691000000000, 0.0002886900000000 ] - [ 0.0001255500000000, 0.0000448400000000, -0.0002374600000000 ] - [ 0.0001607900000000, -0.0001681200000000, -0.0003876200000000 ] - [ 0.0002922600000000, -0.0001192100000000, 0.0000150400000000 ] - [ 0.0003015700000000, -0.0001347000000000, 0.0001521300000000 ] - [ 0.0002056600000000, 0.0003893100000000, -0.0000960700000000 ] - [ 0.0003523800000000, -0.0000181200000000, 0.0000389700000000 ] - [ -0.0004315800000000, -0.0001529700000000, -0.0003505900000000 ] - [ 0.0003532800000000, 0.0001541800000000, -0.0002899400000000 ] - [ -0.0001610800000000, -0.0000898400000000, -0.0003112100000000 ] - [ 0.0003572200000000, 0.0003922800000000, -0.0002365900000000 ] - [ 0.0002909000000000, 0.0001237000000000, -0.0000015700000000 ] - [ 0.0001270600000000, -0.0000458900000000, -0.0002229300000000 ] - [ 0.0003999700000000, 0.0000066800000000, 0.0001567600000000 ] - [ 0.0001652600000000, -0.0004710000000000, 0.0003018300000000 ] - [ 0.0004665500000000, -0.0001413400000000, -0.0002007700000000 ] - [ 0.0003421200000000, -0.0001506200000000, -0.0002925600000000 ] - [ 0.0001339900000000, 0.0003231200000000, -0.0001291700000000 ] - [ -0.0001281700000000, 0.0003838700000000, -0.0001895500000000 ] - [ 0.0004663600000000, 0.0001422100000000, -0.0002082900000000 ] - [ -0.0001150100000000, 0.0003924200000000, 0.0008061100000000 ] - [ -0.0000804000000000, -0.0004307100000000, 0.0001107000000000 ] - [ -0.0002656200000000, -0.0000400300000000, -0.0004638100000000 ] - [ 0.0002954400000000, 0.0000007900000000, -0.0002852700000000 ] - [ 0.0002713500000000, -0.0003535500000000, -0.0000589100000000 ] - [ 0.0000864800000000, -0.0004574900000000, 0.0007643400000000 ] - [ -0.0000772700000000, 0.0004258600000000, 0.0001031800000000 ] - [ 0.0003589400000000, 0.0000230600000000, -0.0000139100000000 ] - [ 0.0003464600000000, -0.0000199900000000, -0.0002996700000000 ] - [ 0.0003487200000000, -0.0003885500000000, -0.0002400900000000 ] - [ 0.0001458100000000, 0.0004393800000000, 0.0003884700000000 ] - [ -0.0000739700000000, 0.0001151800000000, -0.0000152700000000 ] - [ 0.0000196000000000, -0.0000302100000000, -0.0001623200000000 ] - [ -0.0001751700000000, 0.0000818400000000, -0.0002849000000000 ] - [ -0.0001416000000000, 0.0001678300000000, 0.0005350000000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014413000000000, -0.0002159400000000, 0.0000094400000000 ] - [ -0.0001692600000000, -0.0002486000000000, 0.0005528300000000 ] - [ 0.0001734100000000, 0.0001475200000000, -0.0009947700000000 ] - [ -0.0003565900000000, 0.0002662300000000, -0.0000894400000000 ] - [ 0.0001032800000000, 0.0001163700000000, -0.0002888300000000 ] - [ -0.0002416900000000, -0.0002503900000000, 0.0002033700000000 ] - [ 0.0000895400000000, -0.0001173300000000, -0.0003040600000000 ] - [ -0.0002656000000000, 0.0002553500000000, 0.0001586800000000 ] - [ -0.0009411400000000, -0.0002701700000000, -0.0028366700000000 ] - [ -0.0004826500000000, 0.0034204800000000, 0.0046712000000000 ] - [ 0.0007679900000000, 0.0001655700000000, 0.0002140500000000 ] - [ -0.0001417800000000, -0.0002669300000000, -0.0000236100000000 ] - [ 0.0004760600000000, 0.0001774500000000, -0.0003476800000000 ] - [ 0.0004625300000000, -0.0001791800000000, -0.0003313000000000 ] - [ 0.0001893600000000, 0.0002165900000000, 0.0003656100000000 ] - [ 0.0003194500000000, -0.0002945600000000, -0.0002096300000000 ] - [ 0.0005472300000000, 0.0001313700000000, -0.0004233400000000 ] - [ 0.0008430800000000, -0.0007943500000000, 0.0006708900000000 ] - [ 0.0009389400000000, 0.0008581400000000, 0.0002379300000000 ] - [ 0.0010048900000000, 0.0012924300000000, 0.0003467400000000 ] - [ 0.0019318400000000, 0.0002367100000000, -0.0017859000000000 ] - [ -0.0673522500000000, -0.1154747600000000, 0.0794442600000000 ] - [ -0.0043876000000000, 0.0014703600000000, -0.0005595500000000 ] - [ -0.0008840600000000, -0.0003373700000000, 0.0011512300000000 ] - [ -0.0009708800000000, 0.0003779900000000, -0.0006347200000000 ] - [ -0.0062174700000000, 0.0020375900000000, -0.0029798300000000 ] - [ 0.0006460500000000, 0.0020049300000000, 0.0021075200000000 ] - [ -0.0001732000000000, -0.0003648300000000, -0.0015359900000000 ] - [ 0.0005879100000000, -0.0075494300000000, -0.0073986200000000 ] - [ -0.0006050400000000, -0.0041334900000000, -0.0059944400000000 ] - [ -0.0001421000000000, 0.0001215000000000, 0.0002869000000000 ] - [ -0.0002807900000000, 0.0002380800000000, -0.0037042900000000 ] - [ 0.0001764400000000, -0.0000397100000000, -0.0000394300000000 ] - [ 0.0012157200000000, -0.0009019300000000, 0.0007530100000000 ] - [ 0.0006504800000000, 0.0008396200000000, 0.0002025000000000 ] - [ -0.0000729600000000, 0.0006056700000000, 0.0008495900000000 ] - [ 0.0008384000000000, 0.0000327700000000, -0.0001552400000000 ] - [ 0.0003544900000000, 0.0000442500000000, -0.0002185300000000 ] - [ 0.0004929900000000, 0.0000032700000000, -0.0000428400000000 ] - [ 0.0001057600000000, -0.0006944300000000, 0.0008276300000000 ] - [ 0.0008931800000000, -0.0000313600000000, -0.0002206100000000 ] - [ 0.0006673400000000, -0.0002114400000000, 0.0001254400000000 ] - [ 0.0003617900000000, 0.0003506400000000, -0.0000297500000000 ] - [ 0.0003220300000000, -0.0003215800000000, -0.0001360200000000 ] - [ 0.0004804200000000, 0.0000015900000000, -0.0000564100000000 ] - [ 0.0006401200000000, 0.0002054600000000, 0.0001532300000000 ] - [ 0.0003486600000000, 0.0000292600000000, -0.0000179700000000 ] - [ 0.0003520700000000, -0.0000453700000000, -0.0002445400000000 ] - [ -0.0004163700000000, 0.0001061900000000, -0.0006377000000000 ] - [ 0.0000080600000000, -0.0003745500000000, 0.0001273900000000 ] - [ -0.0055654300000000, -0.0000534400000000, 0.0083054100000000 ] - [ -0.0006938000000000, 0.0000773700000000, -0.0001957600000000 ] - [ 0.0013443300000000, -0.0009577500000000, -0.0015134200000000 ] - [ -0.0007390200000000, 0.0000432000000000, -0.0004386800000000 ] - [ 0.0017795900000000, 0.0018435500000000, -0.0020812000000000 ] - [ 0.0005688400000000, -0.0006641100000000, 0.0011275900000000 ] - [ 0.0000133900000000, 0.0000673100000000, 0.0003431300000000 ] - [ -0.0003457000000000, 0.0000253000000000, 0.0006804000000000 ] - [ -0.0001832900000000, 0.0000332000000000, -0.0003283700000000 ] - [ -0.0004949700000000, -0.0006443400000000, -0.0000815200000000 ] - [ 0.0001814800000000, -0.0007737800000000, 0.0002071000000000 ] - [ 0.0002800400000000, 0.0005881300000000, 0.0005726700000000 ] - [ -0.0003830700000000, 0.0006136200000000, 0.0022091900000000 ] - [ -0.0001648000000000, -0.0000008100000000, -0.0006774200000000 ] - [ 0.0056834500000000, 0.0096488900000000, -0.0020545400000000 ] - [ -0.0011087300000000, -0.0003300000000000, 0.0022767800000000 ] - [ -0.0001975800000000, 0.0004871000000000, 0.0001629100000000 ] - [ -0.0011782100000000, -0.0001493100000000, -0.0002902500000000 ] - [ -0.0006345800000000, -0.0001703000000000, -0.0000596300000000 ] - [ 0.0020066800000000, 0.0001897100000000, 0.0002920100000000 ] - [ 0.0000153500000000, -0.0000878500000000, 0.0001129100000000 ] - [ 0.0021922100000000, -0.0158288300000000, 0.0025901600000000 ] - [ 0.0008850100000000, -0.0005685500000000, 0.0016379900000000 ] - [ 0.0009243400000000, -0.0025635400000000, -0.0052625700000000 ] - [ 0.0002795800000000, -0.0000161700000000, 0.0000427400000000 ] - [ 0.0001198900000000, -0.0005044900000000, 0.0003908000000000 ] - [ 0.0047375600000000, -0.0126529000000000, 0.0050043200000000 ] - [ 0.0012509500000000, -0.0015020200000000, -0.0005563200000000 ] - [ -0.0000002500000000, 0.0003725300000000, 0.0006381100000000 ] - [ -0.0017487000000000, 0.0017171900000000, -0.0002876000000000 ] - [ 0.0007837900000000, 0.0001048000000000, 0.0008205900000000 ] - [ -0.0006266200000000, 0.0001181100000000, 0.0007984500000000 ] - [ 0.0722471200000000, 0.1404051600000000, -0.0875467600000000 ] - [ -0.0003445300000000, -0.0000037700000000, -0.0005217600000000 ] - [ -0.0002985400000000, -0.0002930400000000, 0.0000501100000000 ] - [ 0.0002253500000000, -0.0003529700000000, -0.0002379100000000 ] - [ -0.0000881800000000, -0.0004039000000000, 0.0006915000000000 ] - [ -0.0003348900000000, 0.0009324500000000, 0.0014010600000000 ] - [ 0.0005134300000000, -0.0000234900000000, 0.0003180400000000 ] - [ 0.0004266300000000, -0.0000663900000000, -0.0004517900000000 ] - [ 0.0016985000000000, -0.0007629400000000, 0.0016256400000000 ] - [ -0.0004370600000000, 0.0005479600000000, 0.0004726700000000 ] - [ 0.0006029800000000, 0.0001251800000000, 0.0005120300000000 ] - [ -0.0022604900000000, 0.0008006900000000, 0.0088565700000000 ] - [ -0.0035445600000000, -0.0027259300000000, -0.0010370300000000 ] - [ 0.0001109300000000, 0.0006401500000000, 0.0012836000000000 ] - [ -0.0006569300000000, 0.0001097500000000, -0.0003408100000000 ] - [ -0.0004541800000000, -0.0005617400000000, -0.0001144200000000 ] - [ -0.0002502400000000, -0.0001179100000000, -0.0000251000000000 ] - [ -0.0003236700000000, -0.0000927400000000, 0.0005461100000000 ] - [ -0.0000639200000000, 0.0003365700000000, 0.0002672800000000 ] - [ -0.0005060100000000, 0.0000112600000000, -0.0005476300000000 ] - [ -0.0002268200000000, -0.0001231700000000, -0.0000103900000000 ] - [ -0.0001542000000000, 0.0000846800000000, -0.0001332000000000 ] - [ 0.0001872100000000, 0.0000312100000000, 0.0001981600000000 ] - [ -0.0006813900000000, 0.0002420000000000, 0.0003415400000000 ] - [ -0.0000979000000000, 0.0000592400000000, -0.0004226200000000 ] - [ -0.0007880000000000, -0.0002360700000000, 0.0002527700000000 ] - [ 0.0001903500000000, -0.0007387300000000, 0.0002683300000000 ] - [ 0.0002622600000000, 0.0006340500000000, 0.0005228100000000 ] - [ -0.0000627500000000, 0.0000418000000000, -0.0001945900000000 ] - [ -0.0002559800000000, 0.0000515500000000, -0.0005865300000000 ] - [ 0.0000412800000000, -0.0002413000000000, -0.0000065700000000 ] - [ -0.0000227500000000, -0.0003051000000000, 0.0002601000000000 ] - [ 0.0000547300000000, 0.0004126500000000, -0.0000188100000000 ] - [ -0.0001414000000000, -0.0000296700000000, -0.0001634000000000 ] - [ -0.0006128500000000, -0.0001176100000000, -0.0003432400000000 ] - [ -0.0000750400000000, 0.0001309100000000, -0.0004178600000000 ] - [ -0.0005178600000000, 0.0000601100000000, -0.0002388400000000 ] - [ -0.0000289100000000, 0.0002701400000000, -0.0003575300000000 ] - [ 0.0000424700000000, 0.0002372600000000, 0.0000102100000000 ] - [ -0.0000643700000000, -0.0000401300000000, -0.0002086900000000 ] - [ 0.0000790500000000, -0.0000540400000000, 0.0001826700000000 ] - [ -0.0001016600000000, -0.0005442600000000, 0.0004236400000000 ] - [ 0.0001550200000000, -0.0000352300000000, -0.0002320900000000 ] - [ -0.0000641900000000, -0.0001344700000000, -0.0004151700000000 ] - [ -0.0002173100000000, 0.0001183500000000, 0.0000054100000000 ] - [ -0.0004426600000000, 0.0005538800000000, -0.0001320800000000 ] - [ 0.0001553200000000, 0.0000345400000000, -0.0002247100000000 ] - [ -0.0002524200000000, 0.0003058600000000, 0.0007205900000000 ] - [ -0.0003176400000000, -0.0004882300000000, 0.0001685200000000 ] - [ -0.0005775900000000, -0.0000141100000000, -0.0005119700000000 ] - [ 0.0000899800000000, -0.0000884700000000, -0.0002386100000000 ] - [ -0.0000113200000000, -0.0004487000000000, -0.0000558600000000 ] - [ -0.0004544000000000, -0.0002406300000000, 0.0007623400000000 ] - [ -0.0003209400000000, 0.0004930700000000, 0.0001758900000000 ] - [ -0.0001467100000000, 0.0000253900000000, -0.0001107300000000 ] - [ 0.0000384300000000, 0.0001078300000000, -0.0002244500000000 ] - [ -0.0000202200000000, -0.0002738900000000, -0.0003535700000000 ] - [ -0.0000823300000000, 0.0005761400000000, 0.0003363400000000 ] - [ -0.0002581300000000, 0.0001210400000000, -0.0000264000000000 ] - [ -0.0001508100000000, -0.0000904400000000, -0.0001501000000000 ] - [ -0.0005037400000000, -0.0000521000000000, -0.0002653200000000 ] - [ -0.0003340000000000, 0.0001027600000000, 0.0006089100000000 ]- atom: 83 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ -0.0021799300000000, 0.0001541300000000, -0.0002093300000000 ] - [ -0.0005403800000000, -0.0002506200000000, 0.0005909500000000 ] - [ 0.0009876100000000, 0.0002881500000000, -0.0014147000000000 ] - [ 0.0000239400000000, 0.0002291700000000, -0.0002329000000000 ] - [ 0.0001214200000000, 0.0001157100000000, -0.0002838500000000 ] - [ -0.0002142000000000, -0.0002467500000000, 0.0002265900000000 ] - [ 0.0000923000000000, -0.0001175100000000, -0.0003092700000000 ] - [ -0.0002764400000000, 0.0002570200000000, 0.0001385400000000 ] - [ -0.0008936900000000, -0.0009018900000000, -0.0085002700000000 ] - [ -0.0013325900000000, 0.0032841100000000, 0.0168576500000000 ] - [ 0.0006514900000000, 0.0002320900000000, 0.0003776100000000 ] - [ -0.0000121900000000, -0.0002293000000000, -0.0001748600000000 ] - [ 0.0005139900000000, 0.0001792200000000, -0.0003565400000000 ] - [ 0.0004937600000000, -0.0001824700000000, -0.0003234300000000 ] - [ 0.0004012700000000, 0.0000716000000000, 0.0008111200000000 ] - [ 0.0002566600000000, -0.0003631400000000, -0.0005593400000000 ] - [ 0.0009893000000000, 0.0000982100000000, -0.0000710500000000 ] - [ 0.0007585900000000, -0.0007817500000000, 0.0006308000000000 ] - [ 0.0010862200000000, 0.0008796700000000, 0.0002707400000000 ] - [ 0.0016969900000000, 0.0013493700000000, -0.0002058800000000 ] - [ 0.0033168700000000, 0.0006410700000000, 0.0021809000000000 ] - [ -0.0479862100000000, -0.0693857000000000, 0.0999359500000000 ] - [ -0.0049712900000000, -0.0033205900000000, -0.0112741600000000 ] - [ -0.0019363400000000, 0.0002218100000000, 0.0019736300000000 ] - [ -0.0011533800000000, 0.0007107700000000, -0.0019524700000000 ] - [ -0.0063933800000000, 0.0036777800000000, 0.0011690800000000 ] - [ 0.0027216900000000, -0.0005350000000000, 0.0011439000000000 ] - [ -0.0009745100000000, -0.0003062900000000, -0.0027288900000000 ] - [ 0.0077658800000000, -0.0007771200000000, -0.0115640100000000 ] - [ 0.0021892400000000, 0.0029798700000000, -0.0080284300000000 ] - [ -0.0004087500000000, 0.0001255400000000, 0.0000133400000000 ] - [ -0.0011806500000000, -0.0001331000000000, -0.0078684900000000 ] - [ 0.0001030300000000, -0.0000422100000000, -0.0000121500000000 ] - [ 0.0014560500000000, -0.0007561700000000, 0.0008149500000000 ] - [ 0.0003484100000000, 0.0008627700000000, 0.0000473100000000 ] - [ -0.0000508000000000, 0.0005971100000000, 0.0008011600000000 ] - [ 0.0008730700000000, 0.0000449500000000, -0.0001030000000000 ] - [ 0.0003758700000000, 0.0000420600000000, -0.0002140100000000 ] - [ 0.0005236800000000, 0.0000107000000000, -0.0000398200000000 ] - [ 0.0001471200000000, -0.0007138500000000, 0.0008831500000000 ] - [ 0.0009447900000000, -0.0000327200000000, -0.0002698700000000 ] - [ 0.0007032800000000, -0.0002135200000000, 0.0001296100000000 ] - [ 0.0003668100000000, 0.0003509500000000, -0.0000271800000000 ] - [ 0.0003741400000000, -0.0003236500000000, -0.0001540600000000 ] - [ 0.0005027700000000, -0.0000074100000000, -0.0000501400000000 ] - [ 0.0006661100000000, 0.0002084700000000, 0.0001407700000000 ] - [ 0.0004627400000000, 0.0000173700000000, -0.0000471700000000 ] - [ 0.0003845000000000, -0.0000380200000000, -0.0002523100000000 ] - [ -0.0001172900000000, 0.0001532200000000, -0.0003564700000000 ] - [ -0.0006094000000000, -0.0011065500000000, 0.0012878500000000 ] - [ -0.0082376400000000, -0.0048324800000000, 0.0073723400000000 ] - [ -0.0011482700000000, 0.0003914900000000, 0.0000555200000000 ] - [ 0.0021125700000000, -0.0017526100000000, -0.0027041800000000 ] - [ -0.0006919600000000, -0.0001206400000000, -0.0008500400000000 ] - [ -0.0027986600000000, 0.0011582800000000, -0.0011604200000000 ] - [ 0.0006188500000000, -0.0010491800000000, 0.0010310700000000 ] - [ -0.0000512000000000, 0.0001152200000000, 0.0002763400000000 ] - [ 0.0001786800000000, -0.0002256300000000, 0.0011172500000000 ] - [ -0.0002910800000000, 0.0000050600000000, -0.0002885000000000 ] - [ -0.0018815000000000, -0.0006678800000000, -0.0003769800000000 ] - [ 0.0002158900000000, -0.0007746100000000, 0.0002036100000000 ] - [ 0.0002202400000000, 0.0005959500000000, 0.0005954400000000 ] - [ -0.0040246300000000, 0.0000667800000000, 0.0060380400000000 ] - [ -0.0000961200000000, -0.0000186300000000, -0.0006951800000000 ] - [ -0.0076091700000000, -0.0055880300000000, 0.0173605400000000 ] - [ -0.0018388800000000, -0.0023221400000000, 0.0026370100000000 ] - [ -0.0003680100000000, 0.0006543000000000, 0.0004075600000000 ] - [ -0.0006336500000000, -0.0001808700000000, -0.0008046000000000 ] - [ -0.0011634100000000, -0.0000584700000000, -0.0002550700000000 ] - [ 0.0027571400000000, 0.0014208200000000, 0.0024828800000000 ] - [ -0.0002463000000000, 0.0002320900000000, 0.0007879300000000 ] - [ 0.0034000200000000, -0.0025018600000000, -0.0028052300000000 ] - [ 0.0027342800000000, -0.0032575600000000, 0.0038258400000000 ] - [ 0.0043055500000000, 0.0007918800000000, 0.0027549900000000 ] - [ 0.0003055600000000, 0.0000130200000000, 0.0001045100000000 ] - [ 0.0003718800000000, -0.0005035500000000, 0.0001595200000000 ] - [ 0.0029651700000000, -0.0101667800000000, -0.0009165900000000 ] - [ -0.0036142700000000, 0.0019648200000000, -0.0025183400000000 ] - [ 0.0003169700000000, 0.0006706500000000, 0.0013442000000000 ] - [ -0.0003241800000000, 0.0002597700000000, -0.0016962600000000 ] - [ 0.0012920600000000, 0.0006297700000000, 0.0024681500000000 ] - [ -0.0008970800000000, 0.0000053400000000, 0.0009050400000000 ] - [ 0.0621248200000000, 0.0881556700000000, -0.1218877600000000 ] - [ -0.0003940000000000, -0.0001432500000000, -0.0002380400000000 ] - [ -0.0005205500000000, -0.0001889900000000, -0.0002880600000000 ] - [ 0.0004625100000000, -0.0002144700000000, -0.0004889900000000 ] - [ 0.0001764800000000, -0.0005381900000000, 0.0005628200000000 ] - [ -0.0008221500000000, 0.0017263300000000, 0.0035535600000000 ] - [ 0.0002591800000000, -0.0000732000000000, 0.0004687200000000 ] - [ 0.0005754700000000, 0.0000010000000000, -0.0001636200000000 ] - [ 0.0019235700000000, -0.0016051400000000, 0.0027151500000000 ] - [ -0.0005376100000000, 0.0006189900000000, 0.0006624600000000 ] - [ 0.0012443200000000, -0.0008711500000000, 0.0029606200000000 ] - [ -0.0017461500000000, 0.0001567000000000, 0.0033081800000000 ] - [ -0.0008022900000000, -0.0001955900000000, -0.0018196500000000 ] - [ 0.0007007600000000, 0.0011867300000000, 0.0019310500000000 ] - [ -0.0006906300000000, 0.0001076000000000, -0.0003303700000000 ] - [ -0.0004686400000000, -0.0005708000000000, -0.0001016400000000 ] - [ -0.0002544100000000, -0.0001155200000000, -0.0000283700000000 ] - [ -0.0003257400000000, -0.0000937200000000, 0.0005543600000000 ] - [ -0.0000876000000000, 0.0003517300000000, 0.0002710900000000 ] - [ -0.0004909800000000, -0.0000055500000000, -0.0005945500000000 ] - [ -0.0002322900000000, -0.0001213800000000, -0.0000159800000000 ] - [ -0.0001649900000000, 0.0000916800000000, -0.0001376900000000 ] - [ 0.0002538100000000, 0.0000287000000000, 0.0001302200000000 ] - [ -0.0007281400000000, 0.0002513200000000, 0.0003435600000000 ] - [ -0.0000016500000000, 0.0000918300000000, -0.0003726700000000 ] - [ -0.0007741100000000, -0.0002413200000000, 0.0002437200000000 ] - [ 0.0001414800000000, -0.0007627800000000, 0.0001809200000000 ] - [ 0.0003024000000000, 0.0005993600000000, 0.0006219800000000 ] - [ -0.0000675300000000, 0.0000421400000000, -0.0001897900000000 ] - [ -0.0004018900000000, 0.0000482600000000, -0.0005992300000000 ] - [ 0.0000292900000000, -0.0002464100000000, -0.0000071600000000 ] - [ -0.0000394300000000, -0.0003132600000000, 0.0002734100000000 ] - [ 0.0000278000000000, 0.0004326500000000, 0.0000169800000000 ] - [ -0.0002069400000000, -0.0000277500000000, -0.0001977500000000 ] - [ -0.0005992000000000, -0.0001153600000000, -0.0003518400000000 ] - [ -0.0000950000000000, 0.0001292600000000, -0.0004213700000000 ] - [ -0.0005353600000000, 0.0000684400000000, -0.0002227800000000 ] - [ -0.0000482200000000, 0.0002640200000000, -0.0003661400000000 ] - [ 0.0000294800000000, 0.0002403500000000, 0.0000139300000000 ] - [ -0.0000734300000000, -0.0000396900000000, -0.0002098900000000 ] - [ 0.0000073900000000, -0.0000746100000000, 0.0002549400000000 ] - [ -0.0001371500000000, -0.0005752500000000, 0.0003965800000000 ] - [ 0.0001419200000000, -0.0000319900000000, -0.0002335200000000 ] - [ -0.0000820900000000, -0.0001354400000000, -0.0004236700000000 ] - [ -0.0002417100000000, 0.0001043200000000, 0.0000163000000000 ] - [ -0.0004599800000000, 0.0005628500000000, -0.0001379800000000 ] - [ 0.0001399900000000, 0.0000300100000000, -0.0002220600000000 ] - [ -0.0002507300000000, 0.0003012500000000, 0.0007536800000000 ] - [ -0.0003267800000000, -0.0004889800000000, 0.0001654000000000 ] - [ -0.0006151300000000, -0.0000240500000000, -0.0004750500000000 ] - [ 0.0001068800000000, -0.0000842400000000, -0.0002502100000000 ] - [ -0.0000025800000000, -0.0004315400000000, -0.0000844100000000 ] - [ -0.0004928300000000, -0.0002332100000000, 0.0007106200000000 ] - [ -0.0003346700000000, 0.0004963600000000, 0.0001797900000000 ] - [ -0.0001446400000000, 0.0000243100000000, -0.0000845200000000 ] - [ -0.0000014500000000, 0.0001226600000000, -0.0002083600000000 ] - [ -0.0000353900000000, -0.0002717900000000, -0.0003552400000000 ] - [ -0.0000707800000000, 0.0005600400000000, 0.0003616700000000 ] - [ -0.0002686100000000, 0.0001197600000000, -0.0000257600000000 ] - [ -0.0001566600000000, -0.0000930200000000, -0.0001495300000000 ] - [ -0.0005163900000000, -0.0000582600000000, -0.0002763100000000 ] - [ -0.0003480600000000, 0.0000997300000000, 0.0006102900000000 ]- atom: 83 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ 0.0021434800000000, 0.0000835100000000, -0.0003991700000000 ] - [ -0.0001478700000000, -0.0002688000000000, -0.0002616500000000 ] - [ -0.0010126900000000, -0.0005267600000000, 0.0008226300000000 ] - [ -0.0007041300000000, 0.0002882100000000, 0.0005656400000000 ] - [ -0.0001504800000000, 0.0001208800000000, -0.0003139100000000 ] - [ -0.0004707200000000, -0.0002719400000000, 0.0001055300000000 ] - [ -0.0001213200000000, -0.0001197700000000, -0.0002885000000000 ] - [ -0.0004087800000000, 0.0002610300000000, 0.0001935200000000 ] - [ 0.0011141600000000, 0.0011934100000000, 0.0077512700000000 ] - [ 0.0015324900000000, -0.0036110300000000, -0.0174809400000000 ] - [ -0.0008399300000000, 0.0002781900000000, -0.0001779900000000 ] - [ -0.0001682200000000, -0.0002796300000000, 0.0003739100000000 ] - [ -0.0002926200000000, 0.0001245600000000, -0.0003442500000000 ] - [ -0.0002722800000000, -0.0001212500000000, -0.0003773500000000 ] - [ -0.0005814800000000, 0.0004361800000000, -0.0006095700000000 ] - [ -0.0004432400000000, -0.0001474200000000, 0.0007577300000000 ] - [ -0.0010108200000000, -0.0002001100000000, -0.0000200600000000 ] - [ 0.0005024700000000, -0.0008346800000000, 0.0001950200000000 ] - [ 0.0001756600000000, 0.0007366000000000, 0.0005587000000000 ] - [ -0.0022743000000000, -0.0002010000000000, 0.0018618900000000 ] - [ -0.0024962500000000, -0.0006727000000000, -0.0024753600000000 ] - [ 0.0509362200000000, 0.0734121900000000, -0.1030885400000000 ] - [ 0.0054067500000000, 0.0031885800000000, 0.0110340900000000 ] - [ 0.0013671800000000, -0.0013708200000000, -0.0002986500000000 ] - [ 0.0019914700000000, -0.0006586500000000, 0.0016143300000000 ] - [ 0.0071210500000000, -0.0040830900000000, -0.0007161600000000 ] - [ -0.0026378800000000, 0.0012112500000000, -0.0012201200000000 ] - [ 0.0010306200000000, -0.0003859400000000, 0.0026933000000000 ] - [ -0.0071837500000000, 0.0010837700000000, 0.0114203600000000 ] - [ -0.0015446700000000, -0.0026166300000000, 0.0084253700000000 ] - [ 0.0003866100000000, -0.0000255500000000, -0.0001145500000000 ] - [ 0.0012714000000000, -0.0000425100000000, 0.0073900700000000 ] - [ -0.0001251000000000, -0.0000585000000000, -0.0000837200000000 ] - [ -0.0001938800000000, -0.0008593500000000, 0.0000097300000000 ] - [ 0.0009114500000000, 0.0007540900000000, 0.0007822400000000 ] - [ -0.0005174600000000, 0.0005532300000000, 0.0008642800000000 ] - [ -0.0000420600000000, -0.0000949700000000, -0.0002278600000000 ] - [ -0.0002658000000000, 0.0001258600000000, -0.0002536200000000 ] - [ -0.0001230700000000, -0.0001705300000000, -0.0001621500000000 ] - [ -0.0007167400000000, -0.0004360900000000, 0.0007831500000000 ] - [ -0.0001145100000000, 0.0000827100000000, -0.0000613600000000 ] - [ -0.0000064700000000, -0.0002249200000000, 0.0002481600000000 ] - [ -0.0002972600000000, 0.0003409200000000, -0.0000181600000000 ] - [ -0.0003037500000000, -0.0003686100000000, 0.0001100300000000 ] - [ -0.0001017000000000, 0.0001671200000000, -0.0001515800000000 ] - [ 0.0000308000000000, 0.0002299300000000, 0.0002364300000000 ] - [ -0.0004849600000000, 0.0000833300000000, -0.0000502800000000 ] - [ -0.0002743500000000, -0.0001300100000000, -0.0002151600000000 ] - [ -0.0009251700000000, 0.0001162400000000, -0.0003330300000000 ] - [ 0.0000310100000000, 0.0001598100000000, -0.0016002200000000 ] - [ 0.0077799300000000, 0.0044712400000000, -0.0073537400000000 ] - [ 0.0006756500000000, -0.0006692400000000, 0.0011073500000000 ] - [ -0.0018321100000000, 0.0021815400000000, 0.0031007200000000 ] - [ -0.0001489700000000, 0.0001734400000000, -0.0001282100000000 ] - [ 0.0026701800000000, -0.0015737400000000, 0.0010607600000000 ] - [ -0.0007472000000000, 0.0011665800000000, -0.0013573500000000 ] - [ 0.0005296900000000, -0.0000660400000000, 0.0000609600000000 ] - [ -0.0012318600000000, 0.0005997200000000, -0.0004124000000000 ] - [ 0.0001953400000000, 0.0001108000000000, -0.0006859800000000 ] - [ 0.0008095100000000, 0.0002926300000000, 0.0010804500000000 ] - [ 0.0004489700000000, -0.0005297500000000, 0.0006083700000000 ] - [ 0.0004437600000000, 0.0007096100000000, 0.0002143300000000 ] - [ 0.0039892300000000, -0.0000126500000000, -0.0063907500000000 ] - [ 0.0000015800000000, -0.0000978700000000, -0.0002771000000000 ] - [ 0.0081414100000000, 0.0053541800000000, -0.0177540300000000 ] - [ 0.0021382800000000, 0.0019049300000000, -0.0022313600000000 ] - [ 0.0006293900000000, 0.0001492200000000, -0.0005185300000000 ] - [ 0.0008547000000000, 0.0001309800000000, 0.0006807300000000 ] - [ 0.0001159900000000, -0.0002100700000000, -0.0004430200000000 ] - [ -0.0024746400000000, -0.0011303000000000, -0.0031790300000000 ] - [ -0.0004347300000000, -0.0002577500000000, -0.0013333700000000 ] - [ -0.0031049000000000, 0.0031305400000000, 0.0021410200000000 ] - [ -0.0023834100000000, 0.0035933300000000, -0.0038142800000000 ] - [ -0.0042707600000000, -0.0008838600000000, -0.0031664000000000 ] - [ 0.0001715900000000, -0.0000618400000000, 0.0002360100000000 ] - [ -0.0003062400000000, -0.0005133100000000, 0.0005577800000000 ] - [ -0.0023813000000000, 0.0100944100000000, 0.0005276500000000 ] - [ 0.0038453700000000, -0.0022244700000000, 0.0017469000000000 ] - [ -0.0003882300000000, -0.0002215400000000, -0.0014735100000000 ] - [ -0.0002094500000000, 0.0006661200000000, 0.0013626400000000 ] - [ -0.0006627400000000, -0.0004415200000000, -0.0028876000000000 ] - [ 0.0005321800000000, 0.0006933000000000, 0.0006215100000000 ] - [ -0.0654244500000000, -0.0931336000000000, 0.1250311100000000 ] - [ -0.0004509700000000, 0.0000877500000000, -0.0007344900000000 ] - [ 0.0009076300000000, 0.0001036700000000, -0.0002410500000000 ] - [ -0.0002013700000000, -0.0005871300000000, 0.0003748300000000 ] - [ -0.0005444900000000, -0.0001599300000000, 0.0009596700000000 ] - [ 0.0004248800000000, -0.0008046200000000, -0.0032653400000000 ] - [ -0.0000539900000000, 0.0001203400000000, -0.0005932000000000 ] - [ -0.0001912400000000, 0.0000885600000000, -0.0003569600000000 ] - [ -0.0015876700000000, 0.0009416000000000, -0.0033005000000000 ] - [ 0.0006018800000000, 0.0003972900000000, 0.0000669900000000 ] - [ -0.0015807600000000, 0.0010975000000000, -0.0029924700000000 ] - [ 0.0016348100000000, -0.0002381600000000, -0.0036081100000000 ] - [ 0.0001427300000000, 0.0002349800000000, 0.0012651000000000 ] - [ -0.0011730900000000, -0.0009147100000000, -0.0007902600000000 ] - [ -0.0003536000000000, 0.0001618900000000, -0.0003630100000000 ] - [ -0.0001011000000000, -0.0003670600000000, -0.0002197600000000 ] - [ -0.0000753800000000, -0.0001180400000000, -0.0000141400000000 ] - [ -0.0001489400000000, -0.0001798700000000, 0.0005936300000000 ] - [ 0.0003646500000000, 0.0000894700000000, 0.0001438000000000 ] - [ -0.0003521700000000, 0.0000597900000000, -0.0003806100000000 ] - [ 0.0001512800000000, -0.0003223000000000, -0.0001104500000000 ] - [ 0.0000341000000000, 0.0000313900000000, -0.0001788700000000 ] - [ 0.0002245000000000, 0.0000204400000000, 0.0002072700000000 ] - [ -0.0003312100000000, 0.0001245900000000, 0.0003599200000000 ] - [ -0.0000927000000000, 0.0000241200000000, -0.0006014200000000 ] - [ -0.0002836600000000, -0.0001342600000000, 0.0004606000000000 ] - [ 0.0005225700000000, -0.0005416500000000, 0.0006304500000000 ] - [ 0.0003622200000000, 0.0007057600000000, 0.0001883000000000 ] - [ 0.0001332800000000, 0.0000442500000000, -0.0002423700000000 ] - [ 0.0003062300000000, -0.0001651700000000, -0.0003732600000000 ] - [ 0.0003041900000000, -0.0001122700000000, 0.0000176500000000 ] - [ 0.0003163200000000, -0.0001281400000000, 0.0001418100000000 ] - [ 0.0002325100000000, 0.0003703700000000, -0.0001293000000000 ] - [ 0.0004176600000000, -0.0000192500000000, 0.0000753300000000 ] - [ -0.0004450100000000, -0.0001539400000000, -0.0003423700000000 ] - [ 0.0003753800000000, 0.0001567100000000, -0.0002859800000000 ] - [ -0.0001411000000000, -0.0000980800000000, -0.0003266800000000 ] - [ 0.0003783200000000, 0.0004002900000000, -0.0002272400000000 ] - [ 0.0003038400000000, 0.0001186600000000, -0.0000033400000000 ] - [ 0.0001389400000000, -0.0000465100000000, -0.0002216500000000 ] - [ 0.0004703200000000, 0.0000261200000000, 0.0000852500000000 ] - [ 0.0002017800000000, -0.0004418700000000, 0.0003252800000000 ] - [ 0.0004811000000000, -0.0001464000000000, -0.0001975000000000 ] - [ 0.0003618700000000, -0.0001506000000000, -0.0002837300000000 ] - [ 0.0001608600000000, 0.0003391600000000, -0.0001432600000000 ] - [ -0.0001099500000000, 0.0003749800000000, -0.0001833900000000 ] - [ 0.0004830900000000, 0.0001483900000000, -0.0002091700000000 ] - [ -0.0001179100000000, 0.0003962700000000, 0.0007712100000000 ] - [ -0.0000706300000000, -0.0004287000000000, 0.0001106300000000 ] - [ -0.0002276700000000, -0.0000303300000000, -0.0004993200000000 ] - [ 0.0002786100000000, -0.0000035600000000, -0.0002740200000000 ] - [ 0.0002635800000000, -0.0003711200000000, -0.0000279700000000 ] - [ 0.0001254900000000, -0.0004649200000000, 0.0008130300000000 ] - [ -0.0000629600000000, 0.0004211900000000, 0.0000960700000000 ] - [ 0.0003570700000000, 0.0000233200000000, -0.0000382700000000 ] - [ 0.0003867200000000, -0.0000350400000000, -0.0003161200000000 ] - [ 0.0003656500000000, -0.0003926800000000, -0.0002376300000000 ] - [ 0.0001355300000000, 0.0004564400000000, 0.0003609900000000 ] - [ -0.0000618600000000, 0.0001142300000000, -0.0000169400000000 ] - [ 0.0000258000000000, -0.0000299500000000, -0.0001665700000000 ] - [ -0.0001602600000000, 0.0000877500000000, -0.0002731500000000 ] - [ -0.0001265800000000, 0.0001735900000000, 0.0005369600000000 ]- atom: 85 displacement: [ 0.0099999997937931, 0.0000000000000000, -0.0000020307975409 ] forces: - [ 0.0004974000000000, 0.0002027900000000, 0.0007900500000000 ] - [ 0.0020543800000000, 0.0001093100000000, 0.0000544500000000 ] - [ -0.0001936100000000, 0.0022758400000000, -0.0026272600000000 ] - [ 0.0026060800000000, -0.0011908300000000, 0.0000121400000000 ] - [ -0.0004588100000000, 0.0001251000000000, -0.0003094500000000 ] - [ -0.0007001900000000, -0.0002857000000000, 0.0001060600000000 ] - [ -0.0004721600000000, -0.0001249300000000, -0.0003054500000000 ] - [ -0.0007033500000000, 0.0002851500000000, 0.0001058300000000 ] - [ 0.0013940100000000, -0.0002974900000000, -0.0018233800000000 ] - [ -0.0033395200000000, 0.0001199500000000, 0.0019316700000000 ] - [ 0.0007361000000000, -0.0018677000000000, -0.0047843400000000 ] - [ 0.0019175200000000, 0.0002195600000000, 0.0039432400000000 ] - [ -0.0013299100000000, 0.0000587000000000, -0.0003390700000000 ] - [ -0.0013711600000000, -0.0000296600000000, -0.0004416100000000 ] - [ -0.0016237000000000, 0.0003305300000000, 0.0001112400000000 ] - [ -0.0016055200000000, -0.0003363100000000, 0.0000679600000000 ] - [ 0.1467153500000000, 0.1218360900000000, -0.0159611900000000 ] - [ 0.0013101000000000, -0.0005020100000000, -0.0001743200000000 ] - [ -0.0028481900000000, -0.0013025500000000, 0.0012099800000000 ] - [ -0.0014301900000000, 0.0003171900000000, 0.0007844900000000 ] - [ 0.0102305300000000, -0.0096782700000000, 0.0112446300000000 ] - [ -0.0013811100000000, 0.0001731700000000, 0.0006069600000000 ] - [ 0.0005656800000000, 0.0004914800000000, 0.0012602400000000 ] - [ -0.0016035600000000, -0.0002374700000000, 0.0008170900000000 ] - [ 0.0057432200000000, 0.0002888600000000, -0.0010159400000000 ] - [ -0.0013353000000000, -0.0002550900000000, 0.0003952600000000 ] - [ -0.0011904100000000, 0.0003969300000000, 0.0003822300000000 ] - [ -0.0012452400000000, -0.0003725900000000, 0.0000830500000000 ] - [ -0.0027854100000000, -0.0019651500000000, -0.0010674600000000 ] - [ -0.0005179700000000, 0.0002039700000000, 0.0004681600000000 ] - [ 0.0029697700000000, -0.0001374200000000, 0.0007181500000000 ] - [ -0.0009314300000000, -0.0001748100000000, -0.0012684200000000 ] - [ -0.0011174800000000, -0.0001229000000000, -0.0001240900000000 ] - [ -0.0004339600000000, -0.0007188100000000, 0.0002983600000000 ] - [ -0.0004739900000000, 0.0007169700000000, 0.0002535000000000 ] - [ -0.0006759500000000, 0.0009087400000000, 0.0017950900000000 ] - [ -0.0014302500000000, -0.0002640600000000, -0.0000925500000000 ] - [ -0.0010473600000000, 0.0001836900000000, -0.0004058000000000 ] - [ -0.0009163600000000, -0.0004102500000000, -0.0002890300000000 ] - [ -0.0026523300000000, 0.0007009700000000, -0.0002756300000000 ] - [ -0.0014067300000000, 0.0002581300000000, -0.0000797500000000 ] - [ -0.0011733200000000, -0.0002254200000000, 0.0003824100000000 ] - [ -0.0008163100000000, 0.0003360900000000, -0.0004047800000000 ] - [ -0.0015054700000000, -0.0005433400000000, 0.0009307200000000 ] - [ -0.0010126000000000, 0.0004089700000000, -0.0003259400000000 ] - [ -0.0006519500000000, 0.0002654200000000, 0.0004287700000000 ] - [ -0.0010982900000000, 0.0001215900000000, -0.0001225700000000 ] - [ -0.0012502700000000, -0.0002980100000000, -0.0000652900000000 ] - [ -0.0020609400000000, -0.0002141900000000, -0.0007505800000000 ] - [ -0.0017938400000000, -0.0015456500000000, 0.0017406800000000 ] - [ 0.0044606100000000, 0.0013510800000000, -0.0005519300000000 ] - [ 0.0000967300000000, -0.0002413100000000, 0.0004745700000000 ] - [ 0.0010113900000000, -0.0002600800000000, -0.0000934300000000 ] - [ -0.0066625100000000, 0.0037891100000000, 0.0082247800000000 ] - [ 0.0007266900000000, -0.0006452000000000, -0.0003866700000000 ] - [ 0.0003623400000000, -0.0000650800000000, -0.0000911000000000 ] - [ 0.0062028600000000, -0.0022070400000000, -0.0000108900000000 ] - [ 0.0003111800000000, -0.0000440600000000, 0.0005981500000000 ] - [ 0.0026933000000000, 0.0029266800000000, -0.0041513500000000 ] - [ 0.0002794900000000, 0.0000113800000000, 0.0005378600000000 ] - [ -0.0005681800000000, -0.0007753800000000, 0.0008236400000000 ] - [ 0.0005217100000000, 0.0015836000000000, -0.0013025300000000 ] - [ 0.0009968800000000, 0.0010834400000000, 0.0016966600000000 ] - [ -0.0004429400000000, -0.0001817700000000, 0.0007299000000000 ] - [ 0.0003761500000000, -0.0003884300000000, -0.0006834800000000 ] - [ 0.0007423800000000, 0.0001265600000000, 0.0000347200000000 ] - [ 0.0005477700000000, 0.0002929500000000, -0.0001220100000000 ] - [ -0.0077524100000000, -0.0004374300000000, -0.0008899200000000 ] - [ -0.0195032000000000, -0.0043890500000000, 0.0028673500000000 ] - [ -0.0012261500000000, 0.0000296100000000, -0.0010244400000000 ] - [ -0.0020738200000000, 0.0003831500000000, 0.0000242800000000 ] - [ 0.0012965800000000, 0.0005253700000000, -0.0002095800000000 ] - [ 0.0010799600000000, -0.0004904600000000, 0.0007258300000000 ] - [ 0.0004494600000000, 0.0000750600000000, -0.0016634300000000 ] - [ -0.0004747600000000, -0.0003377900000000, 0.0001484500000000 ] - [ 0.0005568200000000, -0.0002873400000000, 0.0002997800000000 ] - [ 0.0010085000000000, -0.0003472000000000, -0.0005755400000000 ] - [ 0.0005984300000000, -0.0002777300000000, -0.0000333700000000 ] - [ 0.0006725600000000, 0.0006177400000000, -0.0002099000000000 ] - [ -0.0010803400000000, 0.0035429600000000, -0.0024166900000000 ] - [ 0.0007921400000000, 0.0002215800000000, 0.0004776900000000 ] - [ 0.0004891600000000, 0.0006384500000000, 0.0008730300000000 ] - [ 0.0007279100000000, 0.0000321700000000, -0.0005614400000000 ] - [ -0.0018455300000000, 0.0002795300000000, -0.0017454400000000 ] - [ -0.1375147700000000, -0.1181478500000000, 0.0075986300000000 ] - [ 0.0005868500000000, -0.0002833600000000, -0.0001500500000000 ] - [ 0.0005408700000000, -0.0006626600000000, 0.0008698100000000 ] - [ -0.0002136400000000, 0.0006936300000000, 0.0005236100000000 ] - [ -0.0036802300000000, -0.0000886300000000, -0.0013811200000000 ] - [ -0.0012061800000000, 0.0005813500000000, -0.0001938400000000 ] - [ 0.0004274400000000, -0.0005440100000000, -0.0000233200000000 ] - [ 0.0005214100000000, 0.0002923400000000, 0.0002808100000000 ] - [ -0.0004184300000000, 0.0002230000000000, -0.0002252200000000 ] - [ 0.0002334800000000, 0.0000184500000000, -0.0003609200000000 ] - [ 0.0014000200000000, 0.0041322700000000, -0.0069347400000000 ] - [ 0.0001718000000000, 0.0003298100000000, 0.0006080300000000 ] - [ -0.0000701200000000, 0.0002208600000000, -0.0003657100000000 ] - [ 0.0003792900000000, -0.0001076200000000, -0.0003153400000000 ] - [ 0.0002033900000000, -0.0001100700000000, 0.0000126900000000 ] - [ -0.0000555300000000, -0.0002961400000000, 0.0007128700000000 ] - [ 0.0011935100000000, -0.0004529000000000, 0.0000234700000000 ] - [ 0.0000733700000000, 0.0000929300000000, -0.0003108400000000 ] - [ 0.0005123400000000, -0.0004776400000000, -0.0000507600000000 ] - [ 0.0003635000000000, -0.0000691300000000, -0.0002396700000000 ] - [ 0.0006538700000000, -0.0000727700000000, 0.0000941900000000 ] - [ 0.0002508800000000, -0.0001427800000000, -0.0000598200000000 ] - [ 0.0005038800000000, 0.0002318800000000, -0.0004571500000000 ] - [ -0.0000567300000000, 0.0000035700000000, 0.0009976600000000 ] - [ 0.0007470800000000, -0.0005394500000000, 0.0004094000000000 ] - [ 0.0007519600000000, 0.0005320000000000, 0.0004281000000000 ] - [ 0.0004296700000000, 0.0000490600000000, -0.0002882500000000 ] - [ 0.0004920000000000, -0.0002238200000000, -0.0004685500000000 ] - [ 0.0006370600000000, 0.0000613200000000, 0.0000798900000000 ] - [ 0.0006452500000000, -0.0000027700000000, -0.0000965200000000 ] - [ 0.0006283800000000, 0.0001691600000000, -0.0009560500000000 ] - [ 0.0011519600000000, -0.0000136500000000, 0.0002403100000000 ] - [ -0.0000629600000000, -0.0002223000000000, -0.0003675300000000 ] - [ 0.0009702400000000, 0.0001846600000000, -0.0001043900000000 ] - [ 0.0003589000000000, -0.0003044000000000, -0.0003715300000000 ] - [ 0.0010524900000000, 0.0006316700000000, 0.0000184300000000 ] - [ 0.0007154300000000, -0.0000592300000000, -0.0000591500000000 ] - [ 0.0004093100000000, -0.0000541800000000, -0.0002658600000000 ] - [ 0.0006445600000000, 0.0000692300000000, 0.0000920200000000 ] - [ 0.0010703400000000, 0.0000389100000000, 0.0004007500000000 ] - [ 0.0009163900000000, -0.0002904100000000, -0.0001396000000000 ] - [ 0.0010122100000000, -0.0001837600000000, -0.0000894700000000 ] - [ 0.0008155200000000, 0.0007686500000000, -0.0005211100000000 ] - [ 0.0003815100000000, 0.0001053100000000, -0.0003085500000000 ] - [ 0.0009749200000000, 0.0003226900000000, -0.0001972200000000 ] - [ -0.0005983900000000, 0.0001978700000000, 0.0003909800000000 ] - [ 0.0002630800000000, -0.0003564600000000, 0.0000606300000000 ] - [ 0.0000651100000000, -0.0000925500000000, -0.0003103600000000 ] - [ 0.0007171300000000, 0.0001782400000000, -0.0003855100000000 ] - [ 0.0002861900000000, -0.0006992800000000, 0.0007723300000000 ] - [ 0.0021907700000000, -0.0010003500000000, 0.0022870200000000 ] - [ 0.0003175300000000, 0.0003050900000000, -0.0000468200000000 ] - [ 0.0011455000000000, 0.0000144500000000, 0.0002369500000000 ] - [ 0.0007088900000000, -0.0001753300000000, -0.0003836800000000 ] - [ 0.0008262800000000, -0.0005148300000000, -0.0001307200000000 ] - [ -0.0000486600000000, 0.0006509800000000, 0.0000044700000000 ] - [ 0.0001862300000000, 0.0001118400000000, -0.0000117700000000 ] - [ 0.0002143200000000, 0.0000251700000000, -0.0002030400000000 ] - [ 0.0003594200000000, 0.0003042000000000, -0.0003626200000000 ] - [ 0.0002969600000000, 0.0002780300000000, 0.0003117100000000 ]- atom: 85 displacement: [ -0.0099999997937931, 0.0000000000000000, 0.0000020307975409 ] forces: - [ -0.0005244500000000, 0.0000350400000000, -0.0013815300000000 ] - [ -0.0027324900000000, -0.0006316400000000, 0.0002717700000000 ] - [ 0.0002839400000000, -0.0025776500000000, 0.0020925800000000 ] - [ -0.0032844600000000, 0.0017265100000000, 0.0003562300000000 ] - [ 0.0004288100000000, 0.0001114800000000, -0.0002879800000000 ] - [ 0.0000152200000000, -0.0002333700000000, 0.0002263300000000 ] - [ 0.0004422700000000, -0.0001123800000000, -0.0002921600000000 ] - [ 0.0000181400000000, 0.0002330300000000, 0.0002263000000000 ] - [ -0.0011606900000000, 0.0006010700000000, 0.0011209000000000 ] - [ 0.0035381800000000, -0.0004277200000000, -0.0026288500000000 ] - [ -0.0009339500000000, 0.0023735700000000, 0.0049818400000000 ] - [ -0.0021127900000000, -0.0007330000000000, -0.0037445700000000 ] - [ 0.0015468500000000, 0.0002446300000000, -0.0003602700000000 ] - [ 0.0015881000000000, -0.0002738500000000, -0.0002575700000000 ] - [ 0.0014376200000000, 0.0001782600000000, 0.0000880300000000 ] - [ 0.0014196100000000, -0.0001731000000000, 0.0001311200000000 ] - [ -0.1505612700000000, -0.1276231000000000, 0.0164037000000000 ] - [ -0.0000542700000000, -0.0011145700000000, 0.0010025100000000 ] - [ 0.0040851300000000, 0.0029440400000000, -0.0004077200000000 ] - [ 0.0008578300000000, 0.0008338200000000, 0.0008804800000000 ] - [ -0.0093163600000000, 0.0096499800000000, -0.0114385200000000 ] - [ 0.0014871800000000, -0.0000021900000000, -0.0010709500000000 ] - [ -0.0001610100000000, -0.0006480700000000, -0.0014502000000000 ] - [ 0.0010301800000000, -0.0009135000000000, 0.0008472200000000 ] - [ -0.0048870700000000, -0.0002448000000000, 0.0007078100000000 ] - [ 0.0020262800000000, -0.0001799300000000, -0.0000171000000000 ] - [ 0.0012581100000000, 0.0002921600000000, -0.0004244600000000 ] - [ 0.0013131300000000, -0.0003161300000000, -0.0001265000000000 ] - [ 0.0031867800000000, 0.0021168600000000, 0.0008638100000000 ] - [ 0.0012119600000000, 0.0002303700000000, -0.0000884400000000 ] - [ -0.0029905100000000, 0.0002390400000000, -0.0008091300000000 ] - [ 0.0010421300000000, 0.0000050700000000, 0.0007987800000000 ] - [ 0.0010938400000000, 0.0000220100000000, 0.0000290000000000 ] - [ 0.0016925900000000, -0.0008981700000000, 0.0005299500000000 ] - [ 0.0017323600000000, 0.0008996700000000, 0.0005744600000000 ] - [ 0.0001019100000000, 0.0002418900000000, -0.0001311700000000 ] - [ 0.0022585700000000, 0.0002133600000000, -0.0002382200000000 ] - [ 0.0011554400000000, -0.0000137300000000, -0.0000602200000000 ] - [ 0.0013145200000000, 0.0002493000000000, 0.0000871800000000 ] - [ 0.0020811200000000, -0.0018551500000000, 0.0019413500000000 ] - [ 0.0022348400000000, -0.0002075400000000, -0.0002508900000000 ] - [ 0.0018660100000000, -0.0002093100000000, -0.0000040600000000 ] - [ 0.0008836000000000, 0.0003526500000000, 0.0003629000000000 ] - [ 0.0015736400000000, -0.0001451900000000, -0.0009745700000000 ] - [ 0.0014111900000000, -0.0002483800000000, 0.0001243100000000 ] - [ 0.0013439100000000, 0.0001693500000000, -0.0000504700000000 ] - [ 0.0010745700000000, -0.0000208700000000, 0.0000273400000000 ] - [ 0.0013587600000000, 0.0001280100000000, -0.0004014000000000 ] - [ 0.0010138200000000, 0.0004830000000000, 0.0000545300000000 ] - [ 0.0012130200000000, 0.0006040000000000, -0.0020652300000000 ] - [ -0.0047465400000000, -0.0015749400000000, 0.0005064400000000 ] - [ -0.0005708300000000, -0.0000300100000000, 0.0006695400000000 ] - [ -0.0007300300000000, 0.0006985100000000, 0.0005051800000000 ] - [ 0.0058766000000000, -0.0036909600000000, -0.0092462500000000 ] - [ -0.0008069900000000, 0.0002018800000000, 0.0002621600000000 ] - [ -0.0004919600000000, 0.0001856700000000, -0.0002210700000000 ] - [ -0.0058329500000000, 0.0023115000000000, 0.0003494600000000 ] - [ -0.0013670000000000, 0.0004171800000000, 0.0001071100000000 ] - [ -0.0027870100000000, -0.0028341300000000, 0.0032122800000000 ] - [ -0.0013354700000000, -0.0003844500000000, 0.0001674700000000 ] - [ 0.0012344000000000, -0.0005277900000000, -0.0000134000000000 ] - [ 0.0001704200000000, -0.0003006900000000, 0.0020990700000000 ] - [ -0.0009317100000000, -0.0009923800000000, -0.0021164600000000 ] - [ 0.0003511500000000, 0.0000648200000000, -0.0017032800000000 ] - [ -0.0000416300000000, 0.0000272800000000, 0.0006894200000000 ] - [ -0.0004616500000000, -0.0005652600000000, 0.0003769800000000 ] - [ -0.0002861500000000, 0.0005092400000000, 0.0000074800000000 ] - [ 0.0079173200000000, 0.0003224600000000, 0.0007704700000000 ] - [ 0.0187067200000000, 0.0042388300000000, -0.0035676200000000 ] - [ 0.0014960300000000, 0.0002550900000000, 0.0003108100000000 ] - [ 0.0013860600000000, -0.0004111300000000, -0.0005775800000000 ] - [ -0.0009642600000000, 0.0001369900000000, -0.0003826900000000 ] - [ -0.0007438700000000, 0.0008484900000000, -0.0007136400000000 ] - [ -0.0003814300000000, -0.0001597900000000, 0.0012208100000000 ] - [ 0.0009562700000000, 0.0002905900000000, 0.0001902800000000 ] - [ -0.0004910100000000, -0.0007277800000000, 0.0004249900000000 ] - [ -0.0003813500000000, 0.0001678100000000, 0.0001413500000000 ] - [ -0.0003346100000000, -0.0000197400000000, -0.0006772500000000 ] - [ -0.0007539800000000, -0.0001756900000000, 0.0000860200000000 ] - [ 0.0005208100000000, -0.0025920800000000, 0.0020582400000000 ] - [ -0.0001697400000000, -0.0000443300000000, -0.0009074800000000 ] - [ -0.0008548500000000, 0.0000602400000000, 0.0006542600000000 ] - [ -0.0011221500000000, -0.0009488100000000, 0.0008384500000000 ] - [ 0.0010047100000000, -0.0003322900000000, 0.0007627100000000 ] - [ 0.1412362800000000, 0.1235838500000000, -0.0086924500000000 ] - [ -0.0003250000000000, -0.0005188100000000, 0.0000355300000000 ] - [ -0.0009062100000000, -0.0000365800000000, 0.0006572500000000 ] - [ -0.0001851300000000, 0.0002261900000000, -0.0002441100000000 ] - [ 0.0038933800000000, 0.0001452500000000, 0.0012283200000000 ] - [ 0.0015910100000000, -0.0004944600000000, -0.0003333000000000 ] - [ -0.0000988100000000, -0.0001193600000000, -0.0005697300000000 ] - [ -0.0004556600000000, 0.0007229700000000, 0.0004431700000000 ] - [ 0.0000848100000000, 0.0000137800000000, 0.0001800500000000 ] - [ -0.0003634200000000, -0.0001393600000000, 0.0000470800000000 ] - [ -0.0020168100000000, -0.0040465800000000, 0.0063094300000000 ] - [ -0.0006457800000000, -0.0000584400000000, 0.0005365600000000 ] - [ -0.0009725800000000, 0.0000494900000000, -0.0003275100000000 ] - [ -0.0009482800000000, -0.0008296400000000, -0.0000065000000000 ] - [ -0.0005331700000000, -0.0001250300000000, -0.0000538200000000 ] - [ -0.0004182600000000, 0.0000247300000000, 0.0004310800000000 ] - [ -0.0009131000000000, 0.0008920500000000, 0.0003881100000000 ] - [ -0.0009142200000000, -0.0000381600000000, -0.0006638700000000 ] - [ -0.0005930400000000, 0.0000346200000000, -0.0000737500000000 ] - [ -0.0004935000000000, 0.0001897500000000, -0.0000731800000000 ] - [ -0.0001734700000000, 0.0001200200000000, 0.0002455400000000 ] - [ -0.0013059100000000, 0.0005164600000000, 0.0007658900000000 ] - [ -0.0005963200000000, -0.0001160500000000, -0.0005175100000000 ] - [ -0.0009984900000000, -0.0003766100000000, -0.0002930400000000 ] - [ -0.0000803800000000, -0.0007643100000000, 0.0004013000000000 ] - [ -0.0000851000000000, 0.0007717900000000, 0.0003822100000000 ] - [ -0.0003649700000000, 0.0000370400000000, -0.0001447000000000 ] - [ -0.0005842400000000, 0.0001077800000000, -0.0005059300000000 ] - [ -0.0003016300000000, -0.0004206000000000, -0.0000707600000000 ] - [ -0.0003636800000000, -0.0004355600000000, 0.0005084800000000 ] - [ -0.0003655600000000, 0.0006318900000000, 0.0008418200000000 ] - [ -0.0009365200000000, -0.0000344400000000, -0.0003634800000000 ] - [ -0.0009800000000000, -0.0000480600000000, -0.0003265100000000 ] - [ -0.0006887700000000, 0.0001012700000000, -0.0006020300000000 ] - [ -0.0010351600000000, 0.0002740300000000, -0.0001783900000000 ] - [ -0.0007215300000000, 0.0000315600000000, -0.0006114000000000 ] - [ -0.0003802900000000, 0.0004188300000000, 0.0000686800000000 ] - [ -0.0003447100000000, -0.0000317000000000, -0.0001665500000000 ] - [ -0.0001640100000000, -0.0001164000000000, 0.0002477900000000 ] - [ -0.0010040800000000, -0.0010530100000000, 0.0003260200000000 ] - [ -0.0002921300000000, 0.0001124200000000, -0.0002927400000000 ] - [ -0.0007311700000000, -0.0001022700000000, -0.0006169600000000 ] - [ -0.0008960100000000, -0.0003261000000000, 0.0003966700000000 ] - [ -0.0009506900000000, 0.0008317100000000, -0.0000134500000000 ] - [ -0.0003506400000000, -0.0001448000000000, -0.0002352100000000 ] - [ 0.0002339500000000, 0.0005016800000000, 0.0011365700000000 ] - [ -0.0006589800000000, -0.0005617100000000, 0.0002175800000000 ] - [ -0.0009061100000000, 0.0000379200000000, -0.0006643500000000 ] - [ -0.0003300100000000, -0.0002659000000000, -0.0001383400000000 ] - [ -0.0000227200000000, -0.0001007200000000, -0.0008895500000000 ] - [ -0.0025662500000000, 0.0003063900000000, -0.0007666500000000 ] - [ -0.0007137200000000, 0.0006130100000000, 0.0003250700000000 ] - [ -0.0009293400000000, 0.0000341100000000, -0.0003607100000000 ] - [ -0.0003218800000000, 0.0002628000000000, -0.0001405700000000 ] - [ -0.0004946300000000, -0.0001488000000000, -0.0004615300000000 ] - [ 0.0001150200000000, 0.0003638500000000, 0.0007196400000000 ] - [ -0.0005167300000000, 0.0001237100000000, -0.0000295500000000 ] - [ -0.0003440800000000, -0.0001458800000000, -0.0001098000000000 ] - [ -0.0010356400000000, -0.0002740300000000, -0.0001873600000000 ] - [ -0.0007711300000000, -0.0000067500000000, 0.0008329100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000578900000000, 0.0003718000000000, 0.0006611400000000 ] - [ 0.0013308000000000, 0.0001077400000000, -0.0004470500000000 ] - [ 0.0015581900000000, 0.0023043600000000, -0.0003251300000000 ] - [ 0.0000647700000000, -0.0022400500000000, -0.0005330800000000 ] - [ -0.0002050300000000, 0.0001211100000000, -0.0003036600000000 ] - [ -0.0004959500000000, -0.0002703500000000, 0.0001404500000000 ] - [ -0.0002084200000000, -0.0001215900000000, -0.0003013300000000 ] - [ -0.0004960200000000, 0.0002701000000000, 0.0001404400000000 ] - [ 0.0012345200000000, -0.0001892900000000, -0.0005104400000000 ] - [ -0.0024312400000000, -0.0009930000000000, -0.0009005900000000 ] - [ -0.0004412500000000, -0.0039211500000000, -0.0020460200000000 ] - [ 0.0003365800000000, 0.0001082800000000, 0.0014370100000000 ] - [ -0.0004996200000000, 0.0001120700000000, -0.0003504500000000 ] - [ -0.0005249400000000, -0.0000995100000000, -0.0003857200000000 ] - [ -0.0007535900000000, 0.0002894700000000, 0.0001007000000000 ] - [ -0.0007289900000000, -0.0002869500000000, 0.0000917900000000 ] - [ 0.1081513800000000, 0.1425326900000000, -0.0144217400000000 ] - [ 0.0005283300000000, -0.0002073300000000, -0.0001768900000000 ] - [ -0.0007238100000000, -0.0013039700000000, -0.0020367600000000 ] - [ -0.0007643900000000, 0.0004642300000000, 0.0008427100000000 ] - [ 0.0029693700000000, -0.0068931300000000, 0.0067891000000000 ] - [ -0.0008311300000000, 0.0003063600000000, 0.0001353700000000 ] - [ 0.0002909900000000, 0.0002941100000000, 0.0012483500000000 ] - [ -0.0008597600000000, -0.0004249400000000, 0.0007951400000000 ] - [ 0.0023382100000000, 0.0007060900000000, 0.0010210100000000 ] - [ -0.0004053200000000, -0.0002755900000000, 0.0000697100000000 ] - [ -0.0005331800000000, 0.0003785600000000, 0.0001943900000000 ] - [ -0.0004556600000000, -0.0003435700000000, -0.0000282300000000 ] - [ -0.0012254500000000, 0.0004303500000000, -0.0014060800000000 ] - [ 0.0000244900000000, 0.0001983000000000, 0.0004555800000000 ] - [ 0.0015373200000000, 0.0000460000000000, 0.0008143500000000 ] - [ 0.0000306600000000, 0.0000558600000000, -0.0006110500000000 ] - [ -0.0004827400000000, -0.0000806900000000, -0.0000831400000000 ] - [ 0.0001728600000000, -0.0007719400000000, 0.0003700800000000 ] - [ 0.0001632200000000, 0.0007672200000000, 0.0003392400000000 ] - [ -0.0004163000000000, 0.0006090300000000, 0.0010168500000000 ] - [ -0.0003735000000000, -0.0001267200000000, -0.0001328700000000 ] - [ -0.0004386800000000, 0.0001343000000000, -0.0003078000000000 ] - [ -0.0002796200000000, -0.0002219500000000, -0.0001898600000000 ] - [ -0.0014490900000000, 0.0004923300000000, 0.0006302500000000 ] - [ -0.0003613600000000, 0.0001240800000000, -0.0001288300000000 ] - [ -0.0002961400000000, -0.0002227600000000, 0.0003418500000000 ] - [ -0.0004327800000000, 0.0003193700000000, -0.0002247200000000 ] - [ -0.0004228800000000, -0.0003978400000000, 0.0003845100000000 ] - [ -0.0003122100000000, 0.0002185200000000, -0.0001887000000000 ] - [ -0.0000752900000000, 0.0002478400000000, 0.0002484500000000 ] - [ -0.0004748300000000, 0.0000799100000000, -0.0000788300000000 ] - [ -0.0004719300000000, -0.0001673500000000, -0.0001624500000000 ] - [ -0.0014335400000000, -0.0000524700000000, -0.0009047200000000 ] - [ -0.0009399100000000, -0.0011806000000000, 0.0003160000000000 ] - [ 0.0005756300000000, -0.0005859400000000, 0.0001412900000000 ] - [ -0.0000900100000000, -0.0001727700000000, 0.0005071200000000 ] - [ 0.0005423500000000, 0.0000130700000000, 0.0001010500000000 ] - [ 0.0015913000000000, 0.0068072700000000, 0.0083952600000000 ] - [ 0.0003500300000000, -0.0004517300000000, -0.0002144600000000 ] - [ 0.0000818500000000, -0.0000267200000000, -0.0000262400000000 ] - [ -0.0039034600000000, 0.0012645900000000, 0.0007380800000000 ] - [ -0.0001925300000000, 0.0000952500000000, 0.0004541500000000 ] - [ 0.0029916400000000, 0.0027456700000000, -0.0021905300000000 ] - [ -0.0001656300000000, -0.0000991900000000, 0.0004333200000000 ] - [ -0.0002102400000000, -0.0007975000000000, 0.0006623900000000 ] - [ 0.0005726900000000, -0.0003325400000000, -0.0004971600000000 ] - [ 0.0002516200000000, 0.0004719900000000, 0.0009903800000000 ] - [ 0.0001738900000000, -0.0002109400000000, 0.0008150800000000 ] - [ 0.0002941700000000, -0.0003228400000000, -0.0003950700000000 ] - [ 0.0003866500000000, -0.0000715700000000, 0.0001118800000000 ] - [ 0.0003080100000000, 0.0003515100000000, -0.0000894600000000 ] - [ -0.0046594200000000, 0.0011899200000000, -0.0023494100000000 ] - [ 0.0038480100000000, 0.0284774700000000, -0.0054836700000000 ] - [ -0.0007280700000000, -0.0000526900000000, -0.0010404800000000 ] - [ -0.0012633000000000, 0.0000274300000000, -0.0014572100000000 ] - [ 0.0008575600000000, 0.0004460500000000, -0.0001196500000000 ] - [ 0.0004984100000000, -0.0002122100000000, 0.0004691200000000 ] - [ 0.0006445700000000, 0.0001369900000000, -0.0014678100000000 ] - [ -0.0000465300000000, -0.0002115900000000, 0.0002995500000000 ] - [ 0.0002527300000000, -0.0004141300000000, 0.0003548500000000 ] - [ 0.0009433500000000, -0.0003233600000000, -0.0004204000000000 ] - [ 0.0025691600000000, 0.0003466300000000, 0.0014000200000000 ] - [ 0.0001858100000000, 0.0003314500000000, -0.0001132300000000 ] - [ -0.0008855300000000, 0.0000801900000000, -0.0004083000000000 ] - [ 0.0000983800000000, 0.0000829400000000, -0.0000417900000000 ] - [ 0.0001006100000000, 0.0004720000000000, 0.0008028300000000 ] - [ 0.0002476700000000, -0.0002096500000000, -0.0000019600000000 ] - [ -0.0009425000000000, 0.0001610200000000, -0.0012722200000000 ] - [ -0.1174625800000000, -0.1767030500000000, 0.0193603800000000 ] - [ 0.0003271100000000, -0.0003549600000000, -0.0000903800000000 ] - [ 0.0001285100000000, -0.0004836900000000, 0.0008125900000000 ] - [ -0.0002722200000000, 0.0005696400000000, 0.0001808200000000 ] - [ -0.0009986000000000, -0.0003947600000000, -0.0008774200000000 ] - [ -0.0003465300000000, 0.0000923400000000, -0.0005541000000000 ] - [ 0.0001742400000000, -0.0004205800000000, -0.0002803400000000 ] - [ 0.0002438000000000, 0.0004171000000000, 0.0003083800000000 ] - [ -0.0003280700000000, 0.0002981900000000, -0.0004133900000000 ] - [ 0.0000813500000000, -0.0000461700000000, -0.0003300100000000 ] - [ 0.0034243700000000, 0.0065755500000000, -0.0084477000000000 ] - [ -0.0000684500000000, 0.0002314700000000, 0.0006202000000000 ] - [ -0.0003289600000000, 0.0001710100000000, -0.0003553500000000 ] - [ -0.0000022400000000, -0.0003148600000000, -0.0002261300000000 ] - [ -0.0000084600000000, -0.0001150400000000, -0.0000105300000000 ] - [ -0.0001455500000000, -0.0002180500000000, 0.0006749200000000 ] - [ 0.0006319200000000, -0.0001057000000000, 0.0000965900000000 ] - [ -0.0002108100000000, 0.0000549700000000, -0.0004109500000000 ] - [ 0.0002268100000000, -0.0003488800000000, -0.0000720500000000 ] - [ 0.0001030800000000, 0.0000239900000000, -0.0002200600000000 ] - [ 0.0004141400000000, -0.0000167200000000, 0.0001401500000000 ] - [ -0.0002823200000000, 0.0001680100000000, 0.0002939500000000 ] - [ 0.0001845100000000, 0.0001334200000000, -0.0004718400000000 ] - [ -0.0001827900000000, -0.0000982500000000, 0.0006616800000000 ] - [ 0.0005094900000000, -0.0006048500000000, 0.0004069800000000 ] - [ 0.0005100800000000, 0.0006003900000000, 0.0004164100000000 ] - [ 0.0002018600000000, 0.0000455100000000, -0.0002468300000000 ] - [ 0.0001841600000000, -0.0001287400000000, -0.0004795700000000 ] - [ 0.0003721100000000, -0.0000753900000000, 0.0000421600000000 ] - [ 0.0003441100000000, -0.0001292900000000, 0.0001000700000000 ] - [ 0.0002991200000000, 0.0003395700000000, -0.0002257600000000 ] - [ 0.0005522700000000, -0.0000188100000000, 0.0000680000000000 ] - [ -0.0003267500000000, -0.0001718900000000, -0.0003561600000000 ] - [ 0.0004955200000000, 0.0001612500000000, -0.0002459100000000 ] - [ -0.0000414900000000, -0.0001381700000000, -0.0003152000000000 ] - [ 0.0005448800000000, 0.0004572400000000, -0.0001712400000000 ] - [ 0.0003962600000000, 0.0000788600000000, -0.0000306200000000 ] - [ 0.0001943200000000, -0.0000485800000000, -0.0002343600000000 ] - [ 0.0004125000000000, 0.0000141400000000, 0.0001320100000000 ] - [ 0.0002472000000000, -0.0005004900000000, 0.0002875400000000 ] - [ 0.0005757000000000, -0.0001772500000000, -0.0001822200000000 ] - [ 0.0005108800000000, -0.0001589900000000, -0.0002434600000000 ] - [ 0.0002881500000000, 0.0004285500000000, -0.0002415600000000 ] - [ 0.0000005300000000, 0.0003128600000000, -0.0002241700000000 ] - [ 0.0005851500000000, 0.0001860200000000, -0.0002068000000000 ] - [ -0.0002980800000000, 0.0003255400000000, 0.0006648100000000 ] - [ 0.0000026700000000, -0.0004145200000000, 0.0001006200000000 ] - [ -0.0002155700000000, -0.0000540100000000, -0.0004126800000000 ] - [ 0.0004159400000000, 0.0000511700000000, -0.0003146300000000 ] - [ 0.0002812000000000, -0.0004443400000000, 0.0000375700000000 ] - [ 0.0013927500000000, -0.0002249600000000, 0.0011675500000000 ] - [ 0.0000152400000000, 0.0003949900000000, 0.0000619400000000 ] - [ 0.0005462900000000, 0.0000189700000000, 0.0000658800000000 ] - [ 0.0004128400000000, -0.0000498300000000, -0.0003141300000000 ] - [ 0.0004487900000000, -0.0004153000000000, -0.0002173800000000 ] - [ 0.0000410300000000, 0.0005039000000000, 0.0003365100000000 ] - [ -0.0000148000000000, 0.0001139600000000, -0.0000153800000000 ] - [ 0.0000597100000000, -0.0000137800000000, -0.0001577800000000 ] - [ -0.0000391200000000, 0.0001391100000000, -0.0003128700000000 ] - [ -0.0000311100000000, 0.0001787800000000, 0.0003855800000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000863200000000, -0.0001328800000000, -0.0012484100000000 ] - [ -0.0020050000000000, -0.0006295700000000, 0.0007735800000000 ] - [ -0.0015266700000000, -0.0025603900000000, -0.0002443800000000 ] - [ -0.0007405400000000, 0.0027978000000000, 0.0008926600000000 ] - [ 0.0001742000000000, 0.0001155200000000, -0.0002939200000000 ] - [ -0.0001904500000000, -0.0002484300000000, 0.0001917400000000 ] - [ 0.0001775900000000, -0.0001157300000000, -0.0002963800000000 ] - [ -0.0001906600000000, 0.0002478900000000, 0.0001914400000000 ] - [ -0.0009976400000000, 0.0004927300000000, -0.0001920700000000 ] - [ 0.0026248700000000, 0.0006758100000000, 0.0001891800000000 ] - [ 0.0002762700000000, 0.0044341100000000, 0.0022256900000000 ] - [ -0.0005296300000000, -0.0006212700000000, -0.0012147400000000 ] - [ 0.0007149400000000, 0.0001909700000000, -0.0003500500000000 ] - [ 0.0007402000000000, -0.0002034000000000, -0.0003150400000000 ] - [ 0.0005628400000000, 0.0002198800000000, 0.0000997400000000 ] - [ 0.0005386300000000, -0.0002228500000000, 0.0001085000000000 ] - [ -0.1145559400000000, -0.1483643100000000, 0.0149823100000000 ] - [ 0.0007347900000000, -0.0014114200000000, 0.0010090700000000 ] - [ 0.0019484000000000, 0.0029296100000000, 0.0028502000000000 ] - [ 0.0001911700000000, 0.0006847000000000, 0.0008238600000000 ] - [ -0.0021277700000000, 0.0068715500000000, -0.0068933700000000 ] - [ 0.0009316800000000, -0.0001354200000000, -0.0005985200000000 ] - [ 0.0001150100000000, -0.0004499500000000, -0.0014327700000000 ] - [ 0.0002851800000000, -0.0007235500000000, 0.0008704000000000 ] - [ -0.0014756600000000, -0.0006709900000000, -0.0013218300000000 ] - [ 0.0010949900000000, -0.0001638700000000, 0.0003060000000000 ] - [ 0.0005975800000000, 0.0003139500000000, -0.0002369100000000 ] - [ 0.0005210700000000, -0.0003484200000000, -0.0000168400000000 ] - [ 0.0016057000000000, -0.0002526300000000, 0.0011852900000000 ] - [ 0.0006701900000000, 0.0002400700000000, -0.0000745400000000 ] - [ -0.0015517000000000, 0.0000558600000000, -0.0008957000000000 ] - [ 0.0000820300000000, -0.0002216900000000, 0.0001398800000000 ] - [ 0.0004555300000000, -0.0000203600000000, -0.0000143000000000 ] - [ 0.0010832200000000, -0.0008441200000000, 0.0004570700000000 ] - [ 0.0010924800000000, 0.0008485600000000, 0.0004874200000000 ] - [ -0.0001570100000000, 0.0005423400000000, 0.0006555200000000 ] - [ 0.0011958200000000, 0.0000759500000000, -0.0001967000000000 ] - [ 0.0005446400000000, 0.0000336600000000, -0.0001600100000000 ] - [ 0.0006766900000000, 0.0000604100000000, -0.0000131900000000 ] - [ 0.0008741300000000, -0.0016415500000000, 0.0010299700000000 ] - [ 0.0011836100000000, -0.0000733800000000, -0.0002004700000000 ] - [ 0.0009876300000000, -0.0002160700000000, 0.0000361100000000 ] - [ 0.0005003900000000, 0.0003731900000000, 0.0001804000000000 ] - [ 0.0004846400000000, -0.0002942700000000, -0.0004275800000000 ] - [ 0.0007091900000000, -0.0000572000000000, -0.0000143600000000 ] - [ 0.0007677300000000, 0.0001908500000000, 0.0001309300000000 ] - [ 0.0004475100000000, 0.0000210600000000, -0.0000186900000000 ] - [ 0.0005767600000000, -0.0000014900000000, -0.0003048400000000 ] - [ 0.0003832800000000, 0.0003199800000000, 0.0002030800000000 ] - [ 0.0003585600000000, 0.0002349100000000, -0.0006469300000000 ] - [ -0.0009133400000000, 0.0003327900000000, -0.0001812000000000 ] - [ -0.0003833400000000, -0.0001011300000000, 0.0006400600000000 ] - [ -0.0002615700000000, 0.0004263900000000, 0.0003127800000000 ] - [ -0.0025062300000000, -0.0067566600000000, -0.0093771800000000 ] - [ -0.0004267700000000, 0.0000053800000000, 0.0000868300000000 ] - [ -0.0002114400000000, 0.0001485200000000, -0.0002883500000000 ] - [ 0.0043920900000000, -0.0012444300000000, -0.0003963200000000 ] - [ -0.0008619300000000, 0.0002807700000000, 0.0002509200000000 ] - [ -0.0030796400000000, -0.0026166400000000, 0.0012221200000000 ] - [ -0.0008887200000000, -0.0002765300000000, 0.0002716700000000 ] - [ 0.0008715200000000, -0.0005084200000000, 0.0001484200000000 ] - [ 0.0001165100000000, 0.0016300900000000, 0.0013050400000000 ] - [ -0.0001813900000000, -0.0003854200000000, -0.0014031600000000 ] - [ -0.0002738100000000, 0.0000958900000000, -0.0017905500000000 ] - [ 0.0000405300000000, -0.0000376500000000, 0.0004006600000000 ] - [ -0.0001078400000000, -0.0003686400000000, 0.0003019800000000 ] - [ -0.0000447900000000, 0.0004501000000000, -0.0000229400000000 ] - [ 0.0048178700000000, -0.0012660100000000, 0.0022096600000000 ] - [ -0.0050422500000000, -0.0293228400000000, 0.0049941500000000 ] - [ 0.0009957300000000, 0.0003362800000000, 0.0003231400000000 ] - [ 0.0005802800000000, -0.0000458200000000, 0.0009070300000000 ] - [ -0.0005201600000000, 0.0002200200000000, -0.0004713700000000 ] - [ -0.0001619000000000, 0.0005666000000000, -0.0004533200000000 ] - [ -0.0005713200000000, -0.0002214000000000, 0.0010226100000000 ] - [ 0.0005241100000000, 0.0001614300000000, 0.0000312600000000 ] - [ -0.0001860200000000, -0.0006016700000000, 0.0003677100000000 ] - [ -0.0003138800000000, 0.0001426800000000, -0.0000118900000000 ] - [ -0.0022543700000000, -0.0006237200000000, -0.0020877700000000 ] - [ -0.0002648700000000, 0.0001128100000000, -0.0000133000000000 ] - [ 0.0003134700000000, 0.0008004900000000, 0.0000790200000000 ] - [ 0.0005192700000000, 0.0000943000000000, -0.0003863000000000 ] - [ -0.0004654700000000, 0.0002273300000000, 0.0007203900000000 ] - [ -0.0006415900000000, -0.0007063900000000, 0.0002768500000000 ] - [ 0.0000953900000000, -0.0002095800000000, 0.0002861100000000 ] - [ 0.1242909600000000, 0.1828609700000000, -0.0207825000000000 ] - [ -0.0000635500000000, -0.0004467100000000, -0.0000219200000000 ] - [ -0.0004928400000000, -0.0002160500000000, 0.0007105500000000 ] - [ -0.0001279600000000, 0.0003500300000000, 0.0000946800000000 ] - [ 0.0012003700000000, 0.0004511200000000, 0.0007141200000000 ] - [ 0.0007294500000000, -0.0000060500000000, 0.0000237600000000 ] - [ 0.0001541200000000, -0.0002455400000000, -0.0003130100000000 ] - [ -0.0001772100000000, 0.0005989100000000, 0.0004130700000000 ] - [ -0.0000058300000000, -0.0000606600000000, 0.0003630500000000 ] - [ -0.0002107400000000, -0.0000767200000000, 0.0000115500000000 ] - [ -0.0040147300000000, -0.0064209200000000, 0.0077520900000000 ] - [ -0.0004046800000000, 0.0000429300000000, 0.0005282500000000 ] - [ -0.0007127500000000, 0.0000988900000000, -0.0003386200000000 ] - [ -0.0005641800000000, -0.0006205800000000, -0.0000960000000000 ] - [ -0.0003199000000000, -0.0001195300000000, -0.0000332200000000 ] - [ -0.0003283400000000, -0.0000559300000000, 0.0004721300000000 ] - [ -0.0003521400000000, 0.0005453500000000, 0.0003177400000000 ] - [ -0.0006312000000000, -0.0000014400000000, -0.0005629100000000 ] - [ -0.0003056800000000, -0.0000960700000000, -0.0000541700000000 ] - [ -0.0002322100000000, 0.0000982400000000, -0.0000964300000000 ] - [ 0.0000649400000000, 0.0000663500000000, 0.0001969100000000 ] - [ -0.0007695500000000, 0.0002081300000000, 0.0004094700000000 ] - [ -0.0002779400000000, -0.0000156900000000, -0.0005001700000000 ] - [ -0.0008753900000000, -0.0002774600000000, 0.0000434300000000 ] - [ 0.0001565000000000, -0.0006989700000000, 0.0004052800000000 ] - [ 0.0001560600000000, 0.0007033700000000, 0.0003957200000000 ] - [ -0.0001342000000000, 0.0000415200000000, -0.0001830800000000 ] - [ -0.0002773200000000, 0.0000109300000000, -0.0004923900000000 ] - [ -0.0000364900000000, -0.0002822400000000, -0.0000318200000000 ] - [ -0.0000646400000000, -0.0003108500000000, 0.0003134200000000 ] - [ -0.0000325800000000, 0.0004591200000000, 0.0001084700000000 ] - [ -0.0003377200000000, -0.0000272300000000, -0.0001889400000000 ] - [ -0.0007151400000000, -0.0000978500000000, -0.0003386200000000 ] - [ -0.0002114800000000, 0.0001238900000000, -0.0004611800000000 ] - [ -0.0006308800000000, 0.0001062300000000, -0.0002346300000000 ] - [ -0.0002123300000000, 0.0002090200000000, -0.0004209300000000 ] - [ -0.0000604700000000, 0.0002790000000000, 0.0000411400000000 ] - [ -0.0001269200000000, -0.0000382600000000, -0.0001950500000000 ] - [ 0.0000665500000000, -0.0000633900000000, 0.0002049800000000 ] - [ -0.0001779000000000, -0.0005123000000000, 0.0004398500000000 ] - [ 0.0000486900000000, -0.0000011100000000, -0.0002469600000000 ] - [ -0.0002271700000000, -0.0001262900000000, -0.0004634300000000 ] - [ -0.0003648200000000, 0.0000173600000000, 0.0001134100000000 ] - [ -0.0005669700000000, 0.0006224100000000, -0.0000978600000000 ] - [ 0.0000396300000000, -0.0000075400000000, -0.0002226600000000 ] - [ -0.0000690200000000, 0.0003728100000000, 0.0008547800000000 ] - [ -0.0003991600000000, -0.0005034600000000, 0.0001746100000000 ] - [ -0.0006266000000000, 0.0000007400000000, -0.0005612200000000 ] - [ -0.0000280300000000, -0.0001377100000000, -0.0002095700000000 ] - [ -0.0000200700000000, -0.0003598600000000, -0.0001466000000000 ] - [ -0.0017592500000000, -0.0004765200000000, 0.0003599400000000 ] - [ -0.0004116600000000, 0.0005227400000000, 0.0002128000000000 ] - [ -0.0003311300000000, 0.0000275700000000, -0.0001873400000000 ] - [ -0.0000250800000000, 0.0001362400000000, -0.0002105200000000 ] - [ -0.0001164900000000, -0.0002508100000000, -0.0003749100000000 ] - [ 0.0000232200000000, 0.0005145500000000, 0.0003815700000000 ] - [ -0.0003142800000000, 0.0001210800000000, -0.0000288500000000 ] - [ -0.0001893900000000, -0.0001089400000000, -0.0001590700000000 ] - [ -0.0006333700000000, -0.0001072500000000, -0.0002369200000000 ] - [ -0.0004413900000000, 0.0000953900000000, 0.0007624900000000 ]- atom: 85 displacement: [ -0.0001465883439700, 0.0000000000000000, 0.0099989255351469 ] forces: - [ 0.0001571400000000, 0.0000495000000000, -0.0018155300000000 ] - [ -0.0015343300000000, -0.0007813800000000, -0.0014994300000000 ] - [ -0.0027238700000000, 0.0004183600000000, 0.0010417700000000 ] - [ -0.0001362400000000, -0.0021951000000000, -0.0028893800000000 ] - [ 0.0000936100000000, 0.0001163200000000, -0.0002978300000000 ] - [ -0.0002531900000000, -0.0002529600000000, 0.0001805400000000 ] - [ 0.0001014300000000, -0.0001175700000000, -0.0002960800000000 ] - [ -0.0002532700000000, 0.0002524000000000, 0.0001811800000000 ] - [ -0.0022100400000000, -0.0000175600000000, -0.0009300200000000 ] - [ 0.0049256100000000, -0.0000754700000000, 0.0000595300000000 ] - [ -0.0048726000000000, 0.0004267900000000, 0.0011981100000000 ] - [ 0.0013572500000000, 0.0000795000000000, -0.0019579200000000 ] - [ 0.0004766000000000, 0.0001751100000000, -0.0003618800000000 ] - [ 0.0004703600000000, -0.0001822300000000, -0.0003185900000000 ] - [ 0.0003068000000000, 0.0002306500000000, 0.0001029600000000 ] - [ 0.0002643100000000, -0.0002395100000000, 0.0001018300000000 ] - [ -0.0155520200000000, -0.0138655300000000, 0.0362450900000000 ] - [ -0.0001208500000000, -0.0008687400000000, -0.0006981900000000 ] - [ 0.0039164600000000, 0.0009914000000000, 0.0022674900000000 ] - [ -0.0000379400000000, 0.0006264300000000, 0.0007828800000000 ] - [ 0.0015127500000000, 0.0048231400000000, 0.0046582400000000 ] - [ 0.0011492200000000, -0.0002362900000000, -0.0007170100000000 ] - [ -0.0002107200000000, -0.0005621200000000, -0.0024485100000000 ] - [ 0.0000865400000000, -0.0006780400000000, 0.0009004300000000 ] - [ -0.0019609000000000, 0.0013341600000000, -0.0046008300000000 ] - [ 0.0009568700000000, -0.0001157700000000, 0.0005703800000000 ] - [ 0.0004384400000000, 0.0003027900000000, -0.0002543900000000 ] - [ 0.0002417100000000, -0.0003762900000000, 0.0000884000000000 ] - [ 0.0005750100000000, -0.0012382900000000, 0.0034298100000000 ] - [ 0.0003663600000000, 0.0002739400000000, -0.0002452500000000 ] - [ -0.0008423600000000, -0.0000854500000000, -0.0027681500000000 ] - [ -0.0005502100000000, -0.0003288500000000, 0.0001743300000000 ] - [ 0.0002643500000000, -0.0000322100000000, -0.0000250000000000 ] - [ 0.0008989300000000, -0.0008265100000000, 0.0004243500000000 ] - [ 0.0008994700000000, 0.0008344700000000, 0.0004717300000000 ] - [ 0.0000580400000000, 0.0005495700000000, 0.0001526600000000 ] - [ 0.0008743700000000, 0.0000352200000000, -0.0001783800000000 ] - [ 0.0002665600000000, 0.0000873900000000, -0.0001966700000000 ] - [ 0.0004694300000000, -0.0000017600000000, -0.0000751700000000 ] - [ 0.0001534300000000, -0.0010295100000000, 0.0017744100000000 ] - [ 0.0008659800000000, -0.0000326700000000, -0.0001907800000000 ] - [ 0.0007197500000000, -0.0002051000000000, 0.0002457800000000 ] - [ -0.0000533200000000, 0.0002647300000000, -0.0000904000000000 ] - [ 0.0007072800000000, -0.0003353600000000, -0.0001334700000000 ] - [ 0.0005111900000000, -0.0000050200000000, -0.0000248000000000 ] - [ 0.0006117800000000, 0.0002262400000000, 0.0000166700000000 ] - [ 0.0002581900000000, 0.0000333100000000, -0.0000357000000000 ] - [ 0.0004377800000000, -0.0000065100000000, -0.0002709000000000 ] - [ 0.0002018500000000, 0.0003947100000000, 0.0009553000000000 ] - [ 0.0011462900000000, -0.0000363600000000, 0.0016456500000000 ] - [ -0.0006410700000000, -0.0004692600000000, -0.0014757300000000 ] - [ -0.0003237200000000, -0.0001412200000000, 0.0006709800000000 ] - [ -0.0001586500000000, 0.0003533400000000, 0.0002488500000000 ] - [ 0.0141479900000000, 0.0082301000000000, -0.0107673100000000 ] - [ -0.0003783800000000, -0.0000078100000000, 0.0000657500000000 ] - [ -0.0001268900000000, 0.0001509300000000, -0.0004268100000000 ] - [ 0.0006360400000000, 0.0005529800000000, -0.0030683400000000 ] - [ -0.0006948800000000, 0.0002391600000000, 0.0002901100000000 ] - [ -0.0020941700000000, -0.0009721900000000, 0.0007796600000000 ] - [ -0.0007691500000000, -0.0002449500000000, 0.0003066100000000 ] - [ 0.0009673800000000, -0.0000766100000000, 0.0011754800000000 ] - [ -0.0009453300000000, 0.0006142900000000, 0.0007050400000000 ] - [ 0.0016989500000000, 0.0003726400000000, -0.0018203300000000 ] - [ 0.0004517800000000, -0.0004093000000000, 0.0000911800000000 ] - [ 0.0001086400000000, 0.0000931800000000, 0.0005746600000000 ] - [ 0.0000430500000000, -0.0002965500000000, 0.0002866100000000 ] - [ 0.0000330800000000, 0.0004345800000000, -0.0000299400000000 ] - [ 0.0026080500000000, -0.0025262000000000, 0.0030855100000000 ] - [ -0.0017229100000000, -0.0083400500000000, -0.0064861200000000 ] - [ 0.0016180800000000, 0.0004068600000000, 0.0009449000000000 ] - [ 0.0007247400000000, -0.0005514400000000, 0.0007437400000000 ] - [ -0.0006116100000000, 0.0002366700000000, -0.0006035500000000 ] - [ 0.0000101900000000, 0.0005996300000000, -0.0006669200000000 ] - [ -0.0008844900000000, -0.0000969000000000, 0.0017218100000000 ] - [ 0.0000710800000000, 0.0000960300000000, 0.0012102000000000 ] - [ -0.0000951500000000, -0.0005644200000000, 0.0003320200000000 ] - [ -0.0005755700000000, 0.0002140600000000, 0.0001220700000000 ] - [ -0.0033688500000000, 0.0000709500000000, -0.0028682800000000 ] - [ -0.0000516800000000, 0.0002461200000000, -0.0000738900000000 ] - [ -0.0025873200000000, -0.0014715300000000, 0.0020662900000000 ] - [ 0.0009858900000000, 0.0002762000000000, -0.0003947800000000 ] - [ -0.0003401900000000, 0.0002806400000000, 0.0007446900000000 ] - [ -0.0008138300000000, -0.0007766300000000, 0.0001152700000000 ] - [ -0.0004638300000000, -0.0005680600000000, 0.0011822200000000 ] - [ 0.0099860100000000, 0.0213642400000000, -0.0333154800000000 ] - [ 0.0000109900000000, -0.0004226600000000, -0.0000411000000000 ] - [ -0.0003751400000000, -0.0002674300000000, 0.0007217700000000 ] - [ 0.0001189600000000, 0.0002665700000000, 0.0002315400000000 ] - [ 0.0001192100000000, -0.0012470300000000, 0.0039989300000000 ] - [ 0.0002810800000000, 0.0003255400000000, 0.0008872100000000 ] - [ 0.0004615600000000, -0.0002996200000000, -0.0001389800000000 ] - [ -0.0000918200000000, 0.0005603300000000, 0.0004223600000000 ] - [ 0.0002207900000000, -0.0002280200000000, 0.0008539000000000 ] - [ -0.0001744700000000, -0.0000325800000000, 0.0001237200000000 ] - [ -0.0032136500000000, -0.0034911100000000, 0.0044903400000000 ] - [ -0.0003337700000000, 0.0000555900000000, 0.0004867400000000 ] - [ -0.0006333500000000, 0.0001137200000000, -0.0003411700000000 ] - [ -0.0004501300000000, -0.0005584600000000, -0.0001213900000000 ] - [ -0.0002575400000000, -0.0001213900000000, -0.0000379000000000 ] - [ -0.0002565900000000, -0.0001307100000000, 0.0007000600000000 ] - [ -0.0000881500000000, 0.0003683200000000, 0.0001954600000000 ] - [ -0.0005466400000000, 0.0000089500000000, -0.0005337500000000 ] - [ -0.0000719400000000, -0.0001962000000000, -0.0001022600000000 ] - [ -0.0001883500000000, 0.0001235300000000, -0.0001904400000000 ] - [ 0.0001372400000000, 0.0000510100000000, 0.0001783300000000 ] - [ -0.0011592300000000, 0.0002236000000000, 0.0003738400000000 ] - [ -0.0001810700000000, 0.0000127500000000, -0.0004978200000000 ] - [ -0.0001026800000000, -0.0002824100000000, 0.0003247900000000 ] - [ 0.0002280900000000, -0.0006779700000000, 0.0004090500000000 ] - [ 0.0002289400000000, 0.0006842300000000, 0.0003965100000000 ] - [ -0.0000659500000000, 0.0000412800000000, -0.0002009500000000 ] - [ -0.0001852500000000, -0.0000196300000000, -0.0004856500000000 ] - [ 0.0000615200000000, -0.0002366200000000, 0.0000037400000000 ] - [ -0.0000429600000000, -0.0003099700000000, 0.0003344300000000 ] - [ -0.0002630900000000, 0.0006695500000000, 0.0003331100000000 ] - [ -0.0001567200000000, -0.0000251100000000, -0.0001362900000000 ] - [ -0.0006361400000000, -0.0001120500000000, -0.0003436400000000 ] - [ -0.0000618800000000, 0.0001344500000000, -0.0004107500000000 ] - [ -0.0005114500000000, 0.0000569900000000, -0.0002491600000000 ] - [ -0.0000559700000000, 0.0002498100000000, -0.0003925800000000 ] - [ 0.0000200300000000, 0.0002412700000000, 0.0000052100000000 ] - [ -0.0000590500000000, -0.0000415500000000, -0.0001981300000000 ] - [ 0.0001359100000000, -0.0000465900000000, 0.0001957100000000 ] - [ -0.0004042000000000, -0.0009042800000000, -0.0001107000000000 ] - [ 0.0001779700000000, -0.0000446100000000, -0.0002322100000000 ] - [ -0.0000794300000000, -0.0001301500000000, -0.0004247800000000 ] - [ -0.0003493500000000, 0.0000437700000000, 0.0000786100000000 ] - [ -0.0004490200000000, 0.0005583900000000, -0.0001251000000000 ] - [ 0.0001295400000000, 0.0000251500000000, -0.0002197200000000 ] - [ -0.0002747700000000, 0.0003229400000000, 0.0011765300000000 ] - [ -0.0003005600000000, -0.0004837700000000, 0.0001483400000000 ] - [ -0.0005414700000000, -0.0000113000000000, -0.0005284200000000 ] - [ 0.0000627600000000, -0.0000989600000000, -0.0002322500000000 ] - [ 0.0005418300000000, 0.0000650500000000, -0.0005479600000000 ] - [ -0.0007304000000000, -0.0005444900000000, -0.0004815500000000 ] - [ -0.0003401600000000, 0.0004986200000000, 0.0001909300000000 ] - [ -0.0001503100000000, 0.0000255600000000, -0.0001346900000000 ] - [ 0.0000648400000000, 0.0000981200000000, -0.0002308500000000 ] - [ -0.0000003300000000, -0.0002963300000000, -0.0003198100000000 ] - [ 0.0001791400000000, 0.0002474400000000, 0.0008145800000000 ] - [ -0.0002511900000000, 0.0001170400000000, -0.0000181400000000 ] - [ -0.0001198400000000, -0.0000525400000000, -0.0000928400000000 ] - [ -0.0005086000000000, -0.0000555000000000, -0.0002545400000000 ] - [ -0.0003903100000000, 0.0000620300000000, 0.0004843700000000 ]- atom: 85 displacement: [ 0.0001465883439700, 0.0000000000000000, -0.0099989255351469 ] forces: - [ -0.0001866500000000, 0.0001852700000000, 0.0012223500000000 ] - [ 0.0008602100000000, 0.0002710100000000, 0.0018363800000000 ] - [ 0.0027370100000000, -0.0006651400000000, -0.0016094100000000 ] - [ -0.0005524800000000, 0.0027015800000000, 0.0032657200000000 ] - [ -0.0001245900000000, 0.0001204300000000, -0.0003000500000000 ] - [ -0.0004330400000000, -0.0002660000000000, 0.0001513000000000 ] - [ -0.0001324200000000, -0.0001197400000000, -0.0003018700000000 ] - [ -0.0004331900000000, 0.0002657500000000, 0.0001504400000000 ] - [ 0.0024277400000000, 0.0003186300000000, 0.0002338700000000 ] - [ -0.0047211200000000, -0.0002194200000000, -0.0007672600000000 ] - [ 0.0047051200000000, 0.0000616600000000, -0.0010322700000000 ] - [ -0.0015242900000000, -0.0005778900000000, 0.0021836900000000 ] - [ -0.0002616500000000, 0.0001284200000000, -0.0003378400000000 ] - [ -0.0002555200000000, -0.0001211000000000, -0.0003817900000000 ] - [ -0.0004972300000000, 0.0002787300000000, 0.0000966400000000 ] - [ -0.0004545900000000, -0.0002701800000000, 0.0000979500000000 ] - [ 0.0162237400000000, 0.0146370900000000, -0.0365021500000000 ] - [ 0.0013861500000000, -0.0007448800000000, 0.0015238400000000 ] - [ -0.0026806000000000, 0.0005889200000000, -0.0014475200000000 ] - [ -0.0005361900000000, 0.0005231000000000, 0.0008821700000000 ] - [ -0.0006619600000000, -0.0048976900000000, -0.0050799500000000 ] - [ -0.0010466900000000, 0.0004064600000000, 0.0002500600000000 ] - [ 0.0006087400000000, 0.0004009400000000, 0.0022503500000000 ] - [ -0.0006608600000000, -0.0004714300000000, 0.0007638600000000 ] - [ 0.0027846000000000, -0.0012685700000000, 0.0042600200000000 ] - [ -0.0002660600000000, -0.0003216200000000, -0.0001931500000000 ] - [ -0.0003736400000000, 0.0003883200000000, 0.0002111300000000 ] - [ -0.0001762000000000, -0.0003143900000000, -0.0001317400000000 ] - [ -0.0001794200000000, 0.0013972800000000, -0.0036344200000000 ] - [ 0.0003244400000000, 0.0001631900000000, 0.0006247000000000 ] - [ 0.0008344300000000, 0.0001824500000000, 0.0026827300000000 ] - [ 0.0006566300000000, 0.0001602500000000, -0.0006401800000000 ] - [ -0.0002905100000000, -0.0000688100000000, -0.0000719700000000 ] - [ 0.0003571400000000, -0.0007896100000000, 0.0004028400000000 ] - [ 0.0003564100000000, 0.0007814800000000, 0.0003553100000000 ] - [ -0.0006277800000000, 0.0006034000000000, 0.0015189200000000 ] - [ -0.0000512400000000, -0.0000863300000000, -0.0001521900000000 ] - [ -0.0001607800000000, 0.0000816700000000, -0.0002713400000000 ] - [ -0.0000728300000000, -0.0001599400000000, -0.0001274600000000 ] - [ -0.0007345400000000, -0.0001137800000000, -0.0001174100000000 ] - [ -0.0000428200000000, 0.0000838000000000, -0.0001395200000000 ] - [ -0.0000307400000000, -0.0002320800000000, 0.0001323400000000 ] - [ 0.0001214800000000, 0.0004260400000000, 0.0000434400000000 ] - [ -0.0006439500000000, -0.0003565800000000, 0.0000943900000000 ] - [ -0.0001149500000000, 0.0001665700000000, -0.0001779400000000 ] - [ 0.0000802500000000, 0.0002110700000000, 0.0003619800000000 ] - [ -0.0002844400000000, 0.0000677300000000, -0.0000613700000000 ] - [ -0.0003335200000000, -0.0001633900000000, -0.0001951500000000 ] - [ -0.0012500000000000, -0.0001247600000000, -0.0016523100000000 ] - [ -0.0017108900000000, -0.0008991300000000, -0.0019563500000000 ] - [ 0.0003109000000000, 0.0002303600000000, 0.0014369300000000 ] - [ -0.0001494500000000, -0.0001319200000000, 0.0004750600000000 ] - [ 0.0004391800000000, 0.0000858400000000, 0.0001639200000000 ] - [ -0.0150758900000000, -0.0083149500000000, 0.0097363500000000 ] - [ 0.0003005100000000, -0.0004374400000000, -0.0001921400000000 ] - [ -0.0000025800000000, -0.0000293300000000, 0.0001118400000000 ] - [ -0.0001307000000000, -0.0005126900000000, 0.0034103400000000 ] - [ -0.0003596200000000, 0.0001361000000000, 0.0004147100000000 ] - [ 0.0020393200000000, 0.0011252300000000, -0.0017771900000000 ] - [ -0.0002853200000000, -0.0001298800000000, 0.0003984800000000 ] - [ -0.0003087600000000, -0.0012297900000000, -0.0003633000000000 ] - [ 0.0015979700000000, 0.0006931100000000, 0.0000927000000000 ] - [ -0.0016344100000000, -0.0002845300000000, 0.0013906900000000 ] - [ -0.0005503400000000, 0.0002941100000000, -0.0010577600000000 ] - [ 0.0002278900000000, -0.0004515600000000, -0.0005656800000000 ] - [ 0.0002377300000000, -0.0001422800000000, 0.0001255700000000 ] - [ 0.0002298500000000, 0.0003673900000000, -0.0000831100000000 ] - [ -0.0024340100000000, 0.0025582700000000, -0.0032702000000000 ] - [ 0.0006749500000000, 0.0080738700000000, 0.0056906000000000 ] - [ -0.0013371500000000, -0.0001233500000000, -0.0016547300000000 ] - [ -0.0014015600000000, 0.0005133800000000, -0.0013040100000000 ] - [ 0.0009453400000000, 0.0004285500000000, 0.0000122700000000 ] - [ 0.0003251000000000, -0.0002404900000000, 0.0006761500000000 ] - [ 0.0009532700000000, 0.0000093100000000, -0.0021583200000000 ] - [ 0.0004022900000000, -0.0001467600000000, -0.0008728100000000 ] - [ 0.0001615000000000, -0.0004505500000000, 0.0003912300000000 ] - [ 0.0012025700000000, -0.0003930000000000, -0.0005530100000000 ] - [ 0.0036534500000000, -0.0003473000000000, 0.0021651800000000 ] - [ -0.0000272300000000, 0.0001980700000000, -0.0000525700000000 ] - [ 0.0020736300000000, 0.0024499500000000, -0.0024380600000000 ] - [ -0.0003624800000000, -0.0000981500000000, -0.0000367300000000 ] - [ -0.0000245000000000, 0.0004186200000000, 0.0007796300000000 ] - [ 0.0004195300000000, -0.0001405900000000, 0.0001620900000000 ] - [ -0.0003870800000000, 0.0005152400000000, -0.0021645600000000 ] - [ -0.0103637400000000, -0.0223055600000000, 0.0333150300000000 ] - [ 0.0002520100000000, -0.0003792300000000, -0.0000718100000000 ] - [ 0.0000106000000000, -0.0004320400000000, 0.0008023900000000 ] - [ -0.0005151100000000, 0.0006511300000000, 0.0000429100000000 ] - [ 0.0000763700000000, 0.0012794300000000, -0.0040817900000000 ] - [ 0.0001001100000000, -0.0002360900000000, -0.0014121700000000 ] - [ -0.0001288500000000, -0.0003659000000000, -0.0004538300000000 ] - [ 0.0001582500000000, 0.0004549400000000, 0.0003001500000000 ] - [ -0.0005510500000000, 0.0004647500000000, -0.0008985000000000 ] - [ 0.0000454400000000, -0.0000891200000000, -0.0004396200000000 ] - [ 0.0025534700000000, 0.0035606000000000, -0.0050716400000000 ] - [ -0.0001396000000000, 0.0002174700000000, 0.0006593700000000 ] - [ -0.0004087600000000, 0.0001562600000000, -0.0003527700000000 ] - [ -0.0001168100000000, -0.0003774700000000, -0.0002009100000000 ] - [ -0.0000711200000000, -0.0001136000000000, -0.0000049300000000 ] - [ -0.0002179100000000, -0.0001423600000000, 0.0004467100000000 ] - [ 0.0003703300000000, 0.0000693700000000, 0.0002174300000000 ] - [ -0.0002946800000000, 0.0000453200000000, -0.0004405000000000 ] - [ -0.0000078500000000, -0.0002476600000000, -0.0000224300000000 ] - [ 0.0000595700000000, -0.0000019500000000, -0.0001251400000000 ] - [ 0.0003422100000000, -0.0000025300000000, 0.0001592500000000 ] - [ 0.0001048700000000, 0.0001504400000000, 0.0003272300000000 ] - [ 0.0000879500000000, 0.0001042300000000, -0.0004752500000000 ] - [ -0.0009550100000000, -0.0000923700000000, 0.0003823300000000 ] - [ 0.0004382900000000, -0.0006257000000000, 0.0004022700000000 ] - [ 0.0004375300000000, 0.0006196000000000, 0.0004144700000000 ] - [ 0.0001331900000000, 0.0000455700000000, -0.0002308000000000 ] - [ 0.0000923900000000, -0.0000973600000000, -0.0004872800000000 ] - [ 0.0002744600000000, -0.0001214900000000, 0.0000061600000000 ] - [ 0.0003222700000000, -0.0001301100000000, 0.0000777600000000 ] - [ 0.0005266500000000, 0.0001321400000000, -0.0004511500000000 ] - [ 0.0003726100000000, -0.0000215500000000, 0.0000148000000000 ] - [ -0.0004061200000000, -0.0001577600000000, -0.0003510500000000 ] - [ 0.0003458800000000, 0.0001510900000000, -0.0002959500000000 ] - [ -0.0001616400000000, -0.0000887300000000, -0.0003011100000000 ] - [ 0.0003898100000000, 0.0004161800000000, -0.0001992900000000 ] - [ 0.0003162900000000, 0.0001172500000000, 0.0000041200000000 ] - [ 0.0001258100000000, -0.0000448400000000, -0.0002331700000000 ] - [ 0.0003437000000000, -0.0000016600000000, 0.0001419200000000 ] - [ 0.0004747600000000, -0.0001071600000000, 0.0008360800000000 ] - [ 0.0004469700000000, -0.0001337600000000, -0.0001981000000000 ] - [ 0.0003632800000000, -0.0001553500000000, -0.0002817800000000 ] - [ 0.0002722600000000, 0.0004020900000000, -0.0002068900000000 ] - [ -0.0001180800000000, 0.0003774100000000, -0.0001973300000000 ] - [ 0.0004959200000000, 0.0001535500000000, -0.0002110800000000 ] - [ -0.0000959300000000, 0.0003737400000000, 0.0003447100000000 ] - [ -0.0000955300000000, -0.0004340600000000, 0.0001276900000000 ] - [ -0.0002999900000000, -0.0000426300000000, -0.0004458500000000 ] - [ 0.0003251700000000, 0.0000122600000000, -0.0002921400000000 ] - [ -0.0002810900000000, -0.0008703500000000, 0.0004406700000000 ] - [ 0.0003738800000000, -0.0001561300000000, 0.0020138300000000 ] - [ -0.0000557400000000, 0.0004189000000000, 0.0000842900000000 ] - [ 0.0003669000000000, 0.0000217100000000, 0.0000126100000000 ] - [ 0.0003228900000000, -0.0000114000000000, -0.0002939500000000 ] - [ 0.0003330200000000, -0.0003689800000000, -0.0002725900000000 ] - [ -0.0001165400000000, 0.0007702500000000, -0.0000937000000000 ] - [ -0.0000782600000000, 0.0001185100000000, -0.0000251500000000 ] - [ -0.0000098900000000, -0.0000693500000000, -0.0002225500000000 ] - [ -0.0001645500000000, 0.0000872200000000, -0.0002956400000000 ] - [ -0.0000818700000000, 0.0002111900000000, 0.0006603000000000 ]