# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/95902bbe-4ee5-4f37-a8e6-4bf67cb2552c/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 RbZnPO4 / P2_1 (4) / materials id 18463](https://mdr.nims.go.jp/datasets/0939b270-2102-4645-8b0f-ef4cf7dff57d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.888192940000000, 0.000000000000000, -0.008459000000000 ] # a - [ 0.000000000000000, 5.424163750000000, 0.000000000000000 ] # b - [ -0.037580670000000, 0.000000000000000, 8.929291400000000 ] # c points: - symbol: O # 1 coordinates: [ 0.812470050000000, 0.787731340000000, 0.749987550000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.187529950000000, 0.287731340000000, 0.250012450000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.721756160000000, 0.958736070000000, 0.499473360000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.278243840000000, 0.458736070000000, 0.500526640000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.720504620000000, 0.501730070000000, 0.541960190000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.279495380000000, 0.001730070000000, 0.458039810000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.967021570000000, 0.723609530000000, 0.516130390000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.032978430000000, 0.223609530000000, 0.483869610000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.704438700000000, 0.355846870000000, 0.950014450000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.295561300000000, 0.855846870000000, 0.049985550000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.723951120000000, 0.931844020000000, 0.069399800000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.276048880000000, 0.431844020000000, 0.930600200000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.467629130000000, 0.740506370000000, 0.831656400000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.532370870000000, 0.240506370000000, 0.168343600000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.190329760000000, 0.809086450000000, 0.789286170000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.809670240000000, 0.309086450000000, 0.210713830000000 ] mass: 15.999400 - symbol: P # 17 coordinates: [ 0.690559510000000, 0.209205900000000, 0.098711090000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.309440490000000, 0.709205900000000, 0.901288910000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.806610700000000, 0.744040320000000, 0.578536250000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.193389300000000, 0.244040320000000, 0.421463750000000 ] mass: 30.973762 - symbol: Zn # 21 coordinates: [ 0.328731090000000, 0.206814310000000, 0.092167460000000 ] mass: 65.380000 - symbol: Zn # 22 coordinates: [ 0.671268910000000, 0.706814310000000, 0.907832540000000 ] mass: 65.380000 - symbol: Zn # 23 coordinates: [ 0.825115200000000, 0.249973700000000, 0.423914280000000 ] mass: 65.380000 - symbol: Zn # 24 coordinates: [ 0.174884800000000, 0.749973700000000, 0.576085720000000 ] mass: 65.380000 - symbol: Rb # 25 coordinates: [ 0.496484840000000, 0.218663540000000, 0.687809000000000 ] mass: 85.467800 - symbol: Rb # 26 coordinates: [ 0.503515160000000, 0.718663540000000, 0.312191000000000 ] mass: 85.467800 - symbol: Rb # 27 coordinates: [ 0.009589570000000, 0.749311510000000, 0.198103680000000 ] mass: 85.467800 - symbol: Rb # 28 coordinates: [ 0.990410430000000, 0.249311510000000, 0.801896320000000 ] mass: 85.467800 reciprocal_lattice: # without 2pi - [ 0.112509259444842, 0.000000000000000, 0.000473517232413 ] # a* - [ 0.000000000000000, 0.184360215895031, 0.000000000000000 ] # b* - [ 0.000106583577913, 0.000000000000000, 0.111991417984440 ] # c*unit_cell: lattice: - [ 8.888192940000000, 0.000000000000000, -0.008459000000000 ] # a - [ 0.000000000000000, 5.424163750000000, 0.000000000000000 ] # b - [ -0.037580670000000, 0.000000000000000, 8.929291400000000 ] # c points: - symbol: O # 1 coordinates: [ 0.812470050000000, 0.787731340000000, 0.749987550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.187529950000000, 0.287731340000000, 0.250012450000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.721756160000000, 0.958736070000000, 0.499473360000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.278243840000000, 0.458736070000000, 0.500526640000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.720504620000000, 0.501730070000000, 0.541960190000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.279495380000000, 0.001730070000000, 0.458039810000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.967021570000000, 0.723609530000000, 0.516130390000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.032978430000000, 0.223609530000000, 0.483869610000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.704438700000000, 0.355846870000000, 0.950014450000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.295561300000000, 0.855846870000000, 0.049985550000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.723951120000000, 0.931844020000000, 0.069399800000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.276048880000000, 0.431844020000000, 0.930600200000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.467629130000000, 0.740506370000000, 0.831656400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.532370870000000, 0.240506370000000, 0.168343600000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.190329760000000, 0.809086450000000, 0.789286170000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.809670240000000, 0.309086450000000, 0.210713830000000 ] mass: 15.999400 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.690559510000000, 0.209205900000000, 0.098711090000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.309440490000000, 0.709205900000000, 0.901288910000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.806610700000000, 0.744040320000000, 0.578536250000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.193389300000000, 0.244040320000000, 0.421463750000000 ] mass: 30.973762 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.328731090000000, 0.206814310000000, 0.092167460000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.671268910000000, 0.706814310000000, 0.907832540000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.825115200000000, 0.249973700000000, 0.423914280000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.174884800000000, 0.749973700000000, 0.576085720000000 ] mass: 65.380000 reduced_to: 24 - symbol: Rb # 25 coordinates: [ 0.496484840000000, 0.218663540000000, 0.687809000000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 26 coordinates: [ 0.503515160000000, 0.718663540000000, 0.312191000000000 ] mass: 85.467800 reduced_to: 26 - symbol: Rb # 27 coordinates: [ 0.009589570000000, 0.749311510000000, 0.198103680000000 ] mass: 85.467800 reduced_to: 27 - symbol: Rb # 28 coordinates: [ 0.990410430000000, 0.249311510000000, 0.801896320000000 ] mass: 85.467800 reduced_to: 28supercell: lattice: - [ 17.776385879999999, 0.000000000000000, -0.016918000000000 ] # a - [ 0.000000000000000, 10.848327500000000, 0.000000000000000 ] # b - [ -0.037580670000000, 0.000000000000000, 8.929291400000000 ] # c points: - symbol: O # 1 coordinates: [ 0.406235025000000, 0.393865670000000, 0.749987550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.906235025000000, 0.393865670000000, 0.749987550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.406235025000000, 0.893865670000000, 0.749987550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.906235025000000, 0.893865670000000, 0.749987550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.093764975000000, 0.143865670000000, 0.250012450000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.593764975000000, 0.143865670000000, 0.250012450000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.093764975000000, 0.643865670000000, 0.250012450000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.593764975000000, 0.643865670000000, 0.250012450000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.360878080000000, 0.479368035000000, 0.499473360000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.860878080000000, 0.479368035000000, 0.499473360000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.360878080000000, 0.979368035000000, 0.499473360000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.860878080000000, 0.979368035000000, 0.499473360000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.139121920000000, 0.229368035000000, 0.500526640000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.639121920000000, 0.229368035000000, 0.500526640000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.139121920000000, 0.729368035000000, 0.500526640000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.639121920000000, 0.729368035000000, 0.500526640000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.360252310000000, 0.250865035000000, 0.541960190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.860252310000000, 0.250865035000000, 0.541960190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.360252310000000, 0.750865035000000, 0.541960190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.860252310000000, 0.750865035000000, 0.541960190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.139747690000000, 0.000865035000000, 0.458039810000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.639747690000000, 0.000865035000000, 0.458039810000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.139747690000000, 0.500865035000000, 0.458039810000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.639747690000000, 0.500865035000000, 0.458039810000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.483510785000000, 0.361804765000000, 0.516130390000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.983510785000000, 0.361804765000000, 0.516130390000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.483510785000000, 0.861804765000000, 0.516130390000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.983510785000000, 0.861804765000000, 0.516130390000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.016489215000000, 0.111804765000000, 0.483869610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.516489215000000, 0.111804765000000, 0.483869610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.016489215000000, 0.611804765000000, 0.483869610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.516489215000000, 0.611804765000000, 0.483869610000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.352219350000000, 0.177923435000000, 0.950014450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.852219350000000, 0.177923435000000, 0.950014450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.352219350000000, 0.677923435000000, 0.950014450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.852219350000000, 0.677923435000000, 0.950014450000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.147780650000000, 0.427923435000000, 0.049985550000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.647780650000000, 0.427923435000000, 0.049985550000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.147780650000000, 0.927923435000000, 0.049985550000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.647780650000000, 0.927923435000000, 0.049985550000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.361975560000000, 0.465922010000000, 0.069399800000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.861975560000000, 0.465922010000000, 0.069399800000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.361975560000000, 0.965922010000000, 0.069399800000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.861975560000000, 0.965922010000000, 0.069399800000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.138024440000000, 0.215922010000000, 0.930600200000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.638024440000000, 0.215922010000000, 0.930600200000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.138024440000000, 0.715922010000000, 0.930600200000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.638024440000000, 0.715922010000000, 0.930600200000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.233814565000000, 0.370253185000000, 0.831656400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.733814565000000, 0.370253185000000, 0.831656400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.233814565000000, 0.870253185000000, 0.831656400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.733814565000000, 0.870253185000000, 0.831656400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.266185435000000, 0.120253185000000, 0.168343600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.766185435000000, 0.120253185000000, 0.168343600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.266185435000000, 0.620253185000000, 0.168343600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.766185435000000, 0.620253185000000, 0.168343600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.095164880000000, 0.404543225000000, 0.789286170000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.595164880000000, 0.404543225000000, 0.789286170000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.095164880000000, 0.904543225000000, 0.789286170000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.595164880000000, 0.904543225000000, 0.789286170000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.404835120000000, 0.154543225000000, 0.210713830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.904835120000000, 0.154543225000000, 0.210713830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.404835120000000, 0.654543225000000, 0.210713830000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.904835120000000, 0.654543225000000, 0.210713830000000 ] mass: 15.999400 reduced_to: 61 - symbol: P # 65 coordinates: [ 0.345279755000000, 0.104602950000000, 0.098711090000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.845279755000000, 0.104602950000000, 0.098711090000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 67 coordinates: [ 0.345279755000000, 0.604602950000000, 0.098711090000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 68 coordinates: [ 0.845279755000000, 0.604602950000000, 0.098711090000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 69 coordinates: [ 0.154720245000000, 0.354602950000000, 0.901288910000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.654720245000000, 0.354602950000000, 0.901288910000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 71 coordinates: [ 0.154720245000000, 0.854602950000000, 0.901288910000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 72 coordinates: [ 0.654720245000000, 0.854602950000000, 0.901288910000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 73 coordinates: [ 0.403305350000000, 0.372020160000000, 0.578536250000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.903305350000000, 0.372020160000000, 0.578536250000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 75 coordinates: [ 0.403305350000000, 0.872020160000000, 0.578536250000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 76 coordinates: [ 0.903305350000000, 0.872020160000000, 0.578536250000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 77 coordinates: [ 0.096694650000000, 0.122020160000000, 0.421463750000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.596694650000000, 0.122020160000000, 0.421463750000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 79 coordinates: [ 0.096694650000000, 0.622020160000000, 0.421463750000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 80 coordinates: [ 0.596694650000000, 0.622020160000000, 0.421463750000000 ] mass: 30.973762 reduced_to: 77 - symbol: Zn # 81 coordinates: [ 0.164365545000000, 0.103407155000000, 0.092167460000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 82 coordinates: [ 0.664365545000000, 0.103407155000000, 0.092167460000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 83 coordinates: [ 0.164365545000000, 0.603407155000000, 0.092167460000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 84 coordinates: [ 0.664365545000000, 0.603407155000000, 0.092167460000000 ] mass: 65.380000 reduced_to: 81 - symbol: Zn # 85 coordinates: [ 0.335634455000000, 0.353407155000000, 0.907832540000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 86 coordinates: [ 0.835634455000000, 0.353407155000000, 0.907832540000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 87 coordinates: [ 0.335634455000000, 0.853407155000000, 0.907832540000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 88 coordinates: [ 0.835634455000000, 0.853407155000000, 0.907832540000000 ] mass: 65.380000 reduced_to: 85 - symbol: Zn # 89 coordinates: [ 0.412557600000000, 0.124986850000000, 0.423914280000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 90 coordinates: [ 0.912557600000000, 0.124986850000000, 0.423914280000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 91 coordinates: [ 0.412557600000000, 0.624986850000000, 0.423914280000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 92 coordinates: [ 0.912557600000000, 0.624986850000000, 0.423914280000000 ] mass: 65.380000 reduced_to: 89 - symbol: Zn # 93 coordinates: [ 0.087442400000000, 0.374986850000000, 0.576085720000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 94 coordinates: [ 0.587442400000000, 0.374986850000000, 0.576085720000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 95 coordinates: [ 0.087442400000000, 0.874986850000000, 0.576085720000000 ] mass: 65.380000 reduced_to: 93 - symbol: Zn # 96 coordinates: [ 0.587442400000000, 0.874986850000000, 0.576085720000000 ] mass: 65.380000 reduced_to: 93 - symbol: Rb # 97 coordinates: [ 0.248242420000000, 0.109331770000000, 0.687809000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 98 coordinates: [ 0.748242420000000, 0.109331770000000, 0.687809000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 99 coordinates: [ 0.248242420000000, 0.609331770000000, 0.687809000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 100 coordinates: [ 0.748242420000000, 0.609331770000000, 0.687809000000000 ] mass: 85.467800 reduced_to: 97 - symbol: Rb # 101 coordinates: [ 0.251757580000000, 0.359331770000000, 0.312191000000000 ] mass: 85.467800 reduced_to: 101 - symbol: Rb # 102 coordinates: [ 0.751757580000000, 0.359331770000000, 0.312191000000000 ] mass: 85.467800 reduced_to: 101 - symbol: Rb # 103 coordinates: [ 0.251757580000000, 0.859331770000000, 0.312191000000000 ] mass: 85.467800 reduced_to: 101 - symbol: Rb # 104 coordinates: [ 0.751757580000000, 0.859331770000000, 0.312191000000000 ] mass: 85.467800 reduced_to: 101 - symbol: Rb # 105 coordinates: [ 0.004794785000000, 0.374655755000000, 0.198103680000000 ] mass: 85.467800 reduced_to: 105 - symbol: Rb # 106 coordinates: [ 0.504794785000000, 0.374655755000000, 0.198103680000000 ] mass: 85.467800 reduced_to: 105 - symbol: Rb # 107 coordinates: [ 0.004794785000000, 0.874655755000000, 0.198103680000000 ] mass: 85.467800 reduced_to: 105 - symbol: Rb # 108 coordinates: [ 0.504794785000000, 0.874655755000000, 0.198103680000000 ] mass: 85.467800 reduced_to: 105 - symbol: Rb # 109 coordinates: [ 0.495205215000000, 0.124655755000000, 0.801896320000000 ] mass: 85.467800 reduced_to: 109 - symbol: Rb # 110 coordinates: [ 0.995205215000000, 0.124655755000000, 0.801896320000000 ] mass: 85.467800 reduced_to: 109 - symbol: Rb # 111 coordinates: [ 0.495205215000000, 0.624655755000000, 0.801896320000000 ] mass: 85.467800 reduced_to: 109 - symbol: Rb # 112 coordinates: [ 0.995205215000000, 0.624655755000000, 0.801896320000000 ] mass: 85.467800 reduced_to: 109born_effective_charge:- # 1 (O) - [ -1.210515780000000, -0.049973530000000, 0.550469270000000 ] - [ -0.062526030000000, -1.184817480000000, -0.074781200000000 ] - [ 0.233317660000000, -0.110630260000000, -2.544621230000000 ]- # 2 (O) - [ -1.210515780000000, 0.049973530000000, 0.550469270000000 ] - [ 0.062526030000000, -1.184817480000000, 0.074781200000000 ] - [ 0.233317660000000, 0.110630260000000, -2.544621230000000 ]- # 3 (O) - [ -1.374839570000000, 0.186131920000000, -0.096482320000000 ] - [ 0.276312120000000, -2.193143990000000, 0.577893860000000 ] - [ -0.209471420000000, 0.504665000000000, -1.408198660000000 ]- # 4 (O) - [ -1.374839570000000, -0.186131920000000, -0.096482320000000 ] - [ -0.276312120000000, -2.193143990000000, -0.577893860000000 ] - [ -0.209471420000000, -0.504665000000000, -1.408198660000000 ]- # 5 (O) - [ -1.387907520000000, -0.262928370000000, 0.043909200000000 ] - [ -0.322493480000000, -2.298996070000000, -0.381045870000000 ] - [ -0.061319830000000, -0.411166050000000, -1.297672130000000 ]- # 6 (O) - [ -1.387907520000000, 0.262928370000000, 0.043909200000000 ] - [ 0.322493480000000, -2.298996070000000, 0.381045870000000 ] - [ -0.061319830000000, 0.411166050000000, -1.297672130000000 ]- # 7 (O) - [ -2.475095300000000, 0.058653950000000, 0.382113070000000 ] - [ 0.027953830000000, -1.153860830000000, -0.027627690000000 ] - [ 0.224689720000000, -0.046113820000000, -1.271513300000000 ]- # 8 (O) - [ -2.475095300000000, -0.058653950000000, 0.382113070000000 ] - [ -0.027953830000000, -1.153860830000000, 0.027627690000000 ] - [ 0.224689720000000, 0.046113820000000, -1.271513300000000 ]- # 9 (O) - [ -1.145324730000000, 0.044554920000000, 0.052119480000000 ] - [ 0.023211820000000, -1.877728400000000, 0.772599930000000 ] - [ 0.036587420000000, 0.625432490000000, -1.950921820000000 ]- # 10 (O) - [ -1.145324730000000, -0.044554920000000, 0.052119480000000 ] - [ -0.023211820000000, -1.877728400000000, -0.772599930000000 ] - [ 0.036587420000000, -0.625432490000000, -1.950921820000000 ]- # 11 (O) - [ -1.152294170000000, 0.096763900000000, -0.054650010000000 ] - [ 0.178584150000000, -2.481209330000000, -0.368612270000000 ] - [ -0.057851620000000, -0.557463460000000, -1.387369380000000 ]- # 12 (O) - [ -1.152294170000000, -0.096763900000000, -0.054650010000000 ] - [ -0.178584150000000, -2.481209330000000, 0.368612270000000 ] - [ -0.057851620000000, 0.557463460000000, -1.387369380000000 ]- # 13 (O) - [ -2.442044750000000, -0.086768730000000, 0.286122940000000 ] - [ -0.080010790000000, -1.205488690000000, -0.000650070000000 ] - [ 0.144264610000000, 0.106716280000000, -1.196145020000000 ]- # 14 (O) - [ -2.442044750000000, 0.086768730000000, 0.286122940000000 ] - [ 0.080010790000000, -1.205488690000000, 0.000650070000000 ] - [ 0.144264610000000, -0.106716280000000, -1.196145020000000 ]- # 15 (O) - [ -1.643619420000000, 0.303302200000000, -0.750329520000000 ] - [ 0.222911210000000, -1.251910980000000, 0.153386320000000 ] - [ -0.769918680000000, 0.323151330000000, -2.124226280000000 ]- # 16 (O) - [ -1.643619420000000, -0.303302200000000, -0.750329520000000 ] - [ -0.222911210000000, -1.251910980000000, -0.153386320000000 ] - [ -0.769918680000000, -0.323151330000000, -2.124226280000000 ]- # 17 (P) - [ 3.210314160000000, 0.096152240000000, -0.022031610000000 ] - [ -0.087677820000000, 3.365119750000000, -0.439150230000000 ] - [ 0.404847800000000, 0.398888070000000, 3.280396290000001 ]- # 18 (P) - [ 3.210314160000000, -0.096152240000000, -0.022031610000000 ] - [ 0.087677820000000, 3.365119750000000, 0.439150230000000 ] - [ 0.404847800000000, -0.398888070000000, 3.280396290000001 ]- # 19 (P) - [ 3.019462570000000, -0.126992430000000, -0.600360790000000 ] - [ -0.064093380000000, 3.402063180000000, -0.166777660000000 ] - [ 0.330853930000000, 0.119042910000000, 3.286315700000000 ]- # 20 (P) - [ 3.019462570000000, 0.126992430000000, -0.600360790000000 ] - [ 0.064093380000000, 3.402063180000000, 0.166777660000000 ] - [ 0.330853930000000, -0.119042910000000, 3.286315700000001 ]- # 21 (Zn) - [ 1.997016160000000, -0.024627880000000, -0.096167600000000 ] - [ -0.038393690000000, 2.198848380000000, -0.196371630000000 ] - [ -0.204638430000000, 0.123961530000000, 2.082106420000000 ]- # 22 (Zn) - [ 1.997016160000000, 0.024627880000000, -0.096167600000000 ] - [ 0.038393690000000, 2.198848380000000, 0.196371630000000 ] - [ -0.204638430000000, -0.123961530000000, 2.082106420000000 ]- # 23 (Zn) - [ 1.955148590000000, -0.039774890000000, 0.338864180000000 ] - [ -0.003473880000000, 2.170845310000000, 0.089019500000000 ] - [ -0.064468730000000, -0.049172180000000, 2.079910920000000 ]- # 24 (Zn) - [ 1.955148590000000, 0.039774890000000, 0.338864180000000 ] - [ 0.003473880000000, 2.170845310000000, -0.089019500000000 ] - [ -0.064468730000000, 0.049172180000000, 2.079910920000000 ]- # 25 (Rb) - [ 1.301969460000000, 0.002027130000000, 0.008750670000000 ] - [ 0.000734960000000, 1.252047500000000, 0.000792490000000 ] - [ 0.008515620000000, -0.000761170000000, 1.234384030000000 ]- # 26 (Rb) - [ 1.301969460000000, -0.002027130000000, 0.008750670000000 ] - [ -0.000734960000000, 1.252047500000000, -0.000792490000000 ] - [ 0.008515620000000, 0.000761170000000, 1.234384030000000 ]- # 27 (Rb) - [ 1.347730340000000, -0.000374870000000, -0.042326950000000 ] - [ -0.010409470000000, 1.258231670000000, -0.038790370000000 ] - [ -0.015408030000000, -0.038078710000000, 1.217554430000000 ]- # 28 (Rb) - [ 1.347730340000000, 0.000374870000000, -0.042326950000000 ] - [ 0.010409470000000, 1.258231670000000, 0.038790370000000 ] - [ -0.015408030000000, 0.038078710000000, 1.217554430000000 ]dielectric_constant: - [ 2.636844400000000, 0.000000000000000, 0.009430600000000 ] - [ 0.000000000000000, 2.703215050000000, 0.000000000000000 ] - [ 0.009430650000000, 0.000000000000000, 2.669545150000000 ]displacements:- atom: 1 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0922831200000000, -0.0189592600000000, 0.0384483600000000 ] - [ 0.0007598700000000, -0.0001111300000000, -0.0001970100000000 ] - [ -0.0011395700000000, -0.0001980200000000, 0.0000925200000000 ] - [ 0.0005194800000000, -0.0001102800000000, -0.0000968400000000 ] - [ 0.0004285000000000, 0.0000117000000000, -0.0003975500000000 ] - [ -0.0001097300000000, -0.0005812500000000, -0.0004184900000000 ] - [ 0.0004282800000000, -0.0003486000000000, -0.0003196700000000 ] - [ -0.0001095200000000, 0.0003359700000000, -0.0005043500000000 ] - [ -0.0089655500000000, -0.0053445300000000, 0.0146943600000000 ] - [ 0.0009870200000000, 0.0003524000000000, 0.0005953800000000 ] - [ -0.0007794300000000, 0.0014904800000000, 0.0001804700000000 ] - [ 0.0008477700000000, 0.0003729000000000, 0.0005769400000000 ] - [ 0.0003308300000000, 0.0008721100000000, -0.0002744500000000 ] - [ 0.0002503700000000, -0.0010837500000000, -0.0012598700000000 ] - [ 0.0002154700000000, 0.0002818600000000, -0.0004280300000000 ] - [ -0.0001784500000000, 0.0010469600000000, -0.0004389700000000 ] - [ -0.0080541300000000, 0.0101103400000000, 0.0136604200000000 ] - [ 0.0014668700000000, 0.0001033600000000, -0.0001736300000000 ] - [ -0.0003934200000000, -0.0006227400000000, -0.0004079800000000 ] - [ 0.0013422300000000, 0.0001035800000000, -0.0001753200000000 ] - [ -0.0003810300000000, 0.0001200100000000, 0.0001547800000000 ] - [ -0.0007053400000000, -0.0006707000000000, 0.0001656100000000 ] - [ -0.0001136400000000, -0.0004141700000000, 0.0003484600000000 ] - [ -0.0002492700000000, 0.0013658500000000, -0.0004917600000000 ] - [ 0.0056303600000000, -0.0049115800000000, -0.0326420300000000 ] - [ 0.0009367300000000, -0.0000306000000000, -0.0003781000000000 ] - [ -0.0022594200000000, 0.0000989400000000, -0.0001211500000000 ] - [ 0.0005889200000000, -0.0000376900000000, -0.0003958000000000 ] - [ 0.0014444000000000, 0.0001111000000000, 0.0001030300000000 ] - [ -0.0008812900000000, -0.0013104000000000, -0.0001320500000000 ] - [ 0.0014771800000000, -0.0000687700000000, 0.0001136800000000 ] - [ -0.0007472300000000, 0.0012057500000000, -0.0005707300000000 ] - [ -0.0008291100000000, 0.0037151700000000, -0.0031309700000000 ] - [ 0.0005529500000000, -0.0001197000000000, 0.0003254400000000 ] - [ -0.0009495800000000, -0.0007904800000000, 0.0006050700000000 ] - [ 0.0004693700000000, 0.0000851900000000, 0.0002072400000000 ] - [ 0.0013310700000000, -0.0006371100000000, -0.0016797700000000 ] - [ 0.0008366000000000, 0.0003152000000000, 0.0007572800000000 ] - [ 0.0002124100000000, 0.0001681200000000, -0.0002607900000000 ] - [ 0.0001752100000000, 0.0000398900000000, -0.0001155100000000 ] - [ -0.0020210500000000, -0.0021873800000000, -0.0031575700000000 ] - [ -0.0003117400000000, 0.0002203900000000, -0.0000070700000000 ] - [ -0.0015662600000000, 0.0012849500000000, -0.0004143900000000 ] - [ -0.0004464500000000, 0.0000451600000000, -0.0000699500000000 ] - [ 0.0022865000000000, 0.0016652100000000, -0.0006948200000000 ] - [ 0.0016605000000000, -0.0008738900000000, 0.0007942400000000 ] - [ 0.0011635400000000, -0.0002197800000000, 0.0001438000000000 ] - [ 0.0014697700000000, 0.0006628500000000, 0.0002310900000000 ] - [ 0.0108786300000000, 0.0003570400000000, -0.0032482600000000 ] - [ 0.0026008900000000, -0.0007174300000000, 0.0001350100000000 ] - [ 0.0000511000000000, -0.0005886900000000, -0.0000975700000000 ] - [ 0.0009242600000000, -0.0004068900000000, -0.0001137400000000 ] - [ -0.0004876000000000, -0.0001142000000000, -0.0003302200000000 ] - [ 0.0009113400000000, -0.0006771500000000, -0.0000247700000000 ] - [ -0.0004076400000000, -0.0010866300000000, 0.0000956800000000 ] - [ 0.0009377600000000, -0.0004619900000000, -0.0000570100000000 ] - [ 0.0025442200000000, 0.0000633800000000, 0.0008602500000000 ] - [ 0.0044051200000000, -0.0001224900000000, 0.0018688200000000 ] - [ 0.0003964400000000, 0.0003240800000000, 0.0003559500000000 ] - [ 0.0003299300000000, 0.0003717100000000, 0.0001202700000000 ] - [ -0.0015102600000000, 0.0004732700000000, -0.0003646700000000 ] - [ 0.0007150700000000, 0.0005420400000000, 0.0002231900000000 ] - [ -0.0013395200000000, -0.0007041500000000, -0.0002290400000000 ] - [ 0.0007083300000000, 0.0005640400000000, 0.0002256900000000 ] - [ 0.0013471500000000, -0.0009235800000000, 0.0021839800000000 ] - [ -0.0013395000000000, 0.0004359900000000, -0.0002153900000000 ] - [ 0.0009638200000000, 0.0034358400000000, -0.0002140900000000 ] - [ -0.0013548400000000, 0.0001841600000000, -0.0000963900000000 ] - [ -0.0058615000000000, -0.0005337100000000, 0.0027997700000000 ] - [ -0.0039790900000000, 0.0020437900000000, -0.0026365200000000 ] - [ -0.0004491600000000, 0.0007251400000000, -0.0001410100000000 ] - [ -0.0009996300000000, -0.0002630700000000, 0.0001171800000000 ] - [ 0.0596635400000000, 0.0021254500000000, 0.0054170200000000 ] - [ -0.0018210400000000, -0.0000562200000000, 0.0010040400000000 ] - [ 0.0026665000000000, -0.0003418600000000, 0.0011964100000000 ] - [ -0.0014227700000000, -0.0000964000000000, 0.0008686600000000 ] - [ -0.0010375300000000, -0.0007111100000000, -0.0004754800000000 ] - [ 0.0005404700000000, 0.0019873600000000, -0.0000177500000000 ] - [ -0.0010978800000000, 0.0002494400000000, -0.0004719800000000 ] - [ 0.0002356700000000, -0.0020089500000000, -0.0002001400000000 ] - [ -0.0002374400000000, -0.0011960200000000, 0.0008433300000000 ] - [ -0.0006427800000000, -0.0000563500000000, -0.0001470800000000 ] - [ -0.0002787800000000, 0.0002457100000000, 0.0006432900000000 ] - [ -0.0007196100000000, -0.0011345300000000, -0.0000711200000000 ] - [ 0.0337622000000000, 0.0106768600000000, -0.0310335700000000 ] - [ -0.0013607600000000, -0.0005495100000000, -0.0003059200000000 ] - [ 0.0008804800000000, -0.0004897400000000, -0.0007699400000000 ] - [ -0.0007618900000000, -0.0006021400000000, -0.0001925700000000 ] - [ 0.0043087200000000, -0.0011169300000000, -0.0003733000000000 ] - [ -0.0006881500000000, 0.0000054100000000, -0.0002420700000000 ] - [ 0.0038074900000000, 0.0014101100000000, 0.0006639400000000 ] - [ -0.0007025500000000, 0.0000031800000000, -0.0002532600000000 ] - [ -0.0013015200000000, -0.0001020500000000, -0.0007902200000000 ] - [ -0.0064492300000000, -0.0001465300000000, 0.0010381200000000 ] - [ -0.0008817100000000, 0.0000173400000000, -0.0000032500000000 ] - [ 0.0004316400000000, -0.0000655100000000, 0.0002972600000000 ] - [ -0.0004278100000000, -0.0011591400000000, -0.0002909500000000 ] - [ -0.0006963600000000, 0.0002773100000000, 0.0000182800000000 ] - [ -0.0009490900000000, 0.0019311000000000, -0.0004531300000000 ] - [ -0.0007865200000000, -0.0001883000000000, 0.0000391100000000 ] - [ -0.0002043600000000, -0.0000163100000000, -0.0000619400000000 ] - [ -0.0005951300000000, 0.0000947200000000, 0.0000425000000000 ] - [ 0.0002022700000000, 0.0000823700000000, 0.0000954400000000 ] - [ -0.0003223200000000, 0.0000476700000000, 0.0000055400000000 ] - [ -0.0006602800000000, -0.0000664600000000, -0.0004018800000000 ] - [ 0.0011843400000000, -0.0001352200000000, -0.0002033600000000 ] - [ -0.0004676000000000, -0.0000616300000000, -0.0004952900000000 ] - [ 0.0008858300000000, -0.0000865300000000, -0.0005351500000000 ] - [ 0.0009900100000000, 0.0018957200000000, 0.0001345000000000 ] - [ -0.0007518500000000, -0.0001990100000000, 0.0004849700000000 ] - [ 0.0021199200000000, -0.0000259200000000, 0.0004180900000000 ] - [ -0.0007372800000000, 0.0000884600000000, 0.0005181800000000 ]- atom: 1 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0927390700000000, 0.0189524400000000, -0.0414007100000000 ] - [ -0.0007341500000000, -0.0001770800000000, 0.0003851000000000 ] - [ 0.0011653000000000, -0.0000893800000000, 0.0000880700000000 ] - [ -0.0004934200000000, -0.0001774700000000, 0.0002859200000000 ] - [ -0.0004543800000000, -0.0002999400000000, 0.0002126600000000 ] - [ 0.0000801300000000, 0.0002936400000000, 0.0002330700000000 ] - [ -0.0004552600000000, 0.0000613600000000, 0.0001318300000000 ] - [ 0.0000803200000000, -0.0006236000000000, 0.0003175900000000 ] - [ 0.0096216600000000, 0.0062560900000000, -0.0135216200000000 ] - [ -0.0004277300000000, 0.0005399800000000, 0.0005149900000000 ] - [ 0.0013376200000000, -0.0005866000000000, 0.0009261100000000 ] - [ -0.0002858700000000, 0.0005178300000000, 0.0005346900000000 ] - [ -0.0008892200000000, 0.0000184800000000, -0.0008390600000000 ] - [ -0.0008174900000000, 0.0019777800000000, 0.0001503400000000 ] - [ -0.0007749500000000, 0.0006108100000000, -0.0006831800000000 ] - [ -0.0003863200000000, -0.0001571400000000, -0.0006718600000000 ] - [ 0.0096579400000000, -0.0101589700000000, -0.0139067000000000 ] - [ 0.0000459200000000, -0.0001300400000000, -0.0001132900000000 ] - [ 0.0019099300000000, 0.0005899100000000, 0.0001152300000000 ] - [ 0.0001709100000000, -0.0001285900000000, -0.0001114500000000 ] - [ -0.0011317500000000, -0.0001444600000000, 0.0001316300000000 ] - [ -0.0008143600000000, 0.0006490700000000, 0.0001216700000000 ] - [ -0.0014012600000000, 0.0003911200000000, -0.0000646700000000 ] - [ -0.0012714900000000, -0.0013920400000000, 0.0007796300000000 ] - [ -0.0064037700000000, 0.0048306700000000, 0.0318365700000000 ] - [ -0.0017985700000000, 0.0000125600000000, -0.0000894900000000 ] - [ 0.0013950700000000, -0.0001169000000000, -0.0003484800000000 ] - [ -0.0014497800000000, 0.0000204200000000, -0.0000715400000000 ] - [ -0.0005827000000000, -0.0001290300000000, 0.0003633200000000 ] - [ 0.0017285300000000, 0.0012954800000000, 0.0006032300000000 ] - [ -0.0006171100000000, 0.0000498000000000, 0.0003541900000000 ] - [ 0.0015912800000000, -0.0012302700000000, 0.0010422100000000 ] - [ 0.0007257700000000, -0.0036907000000000, 0.0036778700000000 ] - [ -0.0006540100000000, 0.0001913500000000, 0.0001888500000000 ] - [ 0.0008504000000000, 0.0008710000000000, -0.0000857200000000 ] - [ -0.0005709800000000, -0.0000121500000000, 0.0003069500000000 ] - [ -0.0012389700000000, 0.0007160000000000, 0.0011818400000000 ] - [ -0.0007359300000000, -0.0002398300000000, -0.0012653700000000 ] - [ -0.0001102300000000, -0.0000954000000000, -0.0002533100000000 ] - [ -0.0000749900000000, 0.0000343700000000, -0.0003978000000000 ] - [ 0.0001560000000000, 0.0025366400000000, 0.0030169600000000 ] - [ -0.0015478600000000, 0.0001025400000000, -0.0001944300000000 ] - [ -0.0002892800000000, -0.0009681300000000, 0.0002201100000000 ] - [ -0.0014130400000000, 0.0002763900000000, -0.0001317600000000 ] - [ -0.0004386100000000, -0.0013591800000000, 0.0009047100000000 ] - [ 0.0001991400000000, 0.0011913800000000, -0.0005905900000000 ] - [ 0.0006959200000000, 0.0005448700000000, 0.0000569300000000 ] - [ 0.0003895900000000, -0.0003403200000000, -0.0000292000000000 ] - [ -0.0107869900000000, -0.0014398500000000, 0.0032286900000000 ] - [ -0.0023441600000000, -0.0003568900000000, -0.0001857700000000 ] - [ 0.0001999000000000, -0.0004828300000000, 0.0000456700000000 ] - [ -0.0006757400000000, -0.0006659100000000, 0.0000625300000000 ] - [ 0.0002390700000000, -0.0009574300000000, 0.0003941500000000 ] - [ -0.0011628200000000, -0.0003965400000000, 0.0000776800000000 ] - [ 0.0001567300000000, 0.0000174400000000, -0.0000353000000000 ] - [ -0.0011893200000000, -0.0006110400000000, 0.0001096100000000 ] - [ -0.0024790000000000, 0.0007438500000000, -0.0005887600000000 ] - [ -0.0042859500000000, 0.0009256700000000, -0.0015952000000000 ] - [ -0.0003090300000000, 0.0004810000000000, -0.0000791800000000 ] - [ -0.0002435500000000, 0.0004335900000000, 0.0001545300000000 ] - [ 0.0014272900000000, 0.0003352400000000, 0.0001118100000000 ] - [ -0.0008038400000000, 0.0002617900000000, -0.0005003400000000 ] - [ 0.0012598800000000, 0.0015136800000000, -0.0000271200000000 ] - [ -0.0007956000000000, 0.0002415400000000, -0.0005026800000000 ] - [ -0.0011556200000000, 0.0016597900000000, -0.0024056400000000 ] - [ 0.0015405300000000, 0.0003033100000000, 0.0000200400000000 ] - [ -0.0007712200000000, -0.0027234300000000, -0.0000035800000000 ] - [ 0.0015549800000000, 0.0005531500000000, -0.0000996700000000 ] - [ 0.0056988300000000, 0.0012807700000000, -0.0026289600000000 ] - [ 0.0037755300000000, -0.0012997700000000, 0.0028195400000000 ] - [ 0.0002500700000000, 0.0000112400000000, 0.0003369600000000 ] - [ 0.0008031800000000, 0.0009998400000000, 0.0000777500000000 ] - [ -0.0599349300000000, -0.0021218500000000, -0.0024131500000000 ] - [ 0.0014681600000000, -0.0002101500000000, 0.0003193100000000 ] - [ -0.0030116600000000, 0.0000716300000000, 0.0001382300000000 ] - [ 0.0010670400000000, -0.0001705000000000, 0.0004525200000000 ] - [ 0.0013910200000000, 0.0004443400000000, -0.0008486700000000 ] - [ -0.0001698700000000, -0.0022572500000000, -0.0013115500000000 ] - [ 0.0014550000000000, -0.0005178200000000, -0.0008504100000000 ] - [ 0.0001348900000000, 0.0017448000000000, -0.0011274400000000 ] - [ 0.0002026100000000, 0.0000631700000000, -0.0003462700000000 ] - [ 0.0006136400000000, -0.0010796600000000, 0.0006473000000000 ] - [ 0.0002455200000000, -0.0013879100000000, -0.0001439300000000 ] - [ 0.0006893100000000, -0.0000037200000000, 0.0005716100000000 ] - [ -0.0344551800000000, -0.0122949800000000, 0.0320966900000000 ] - [ 0.0013923100000000, -0.0005905100000000, -0.0001990000000000 ] - [ -0.0008514800000000, -0.0006539200000000, 0.0002690400000000 ] - [ 0.0007946900000000, -0.0005382700000000, -0.0003115200000000 ] - [ -0.0039077700000000, 0.0010537100000000, 0.0001672700000000 ] - [ 0.0010618000000000, -0.0000330300000000, 0.0000622400000000 ] - [ -0.0034085900000000, -0.0013971700000000, -0.0008631100000000 ] - [ 0.0010765700000000, -0.0000318800000000, 0.0000735800000000 ] - [ 0.0009290200000000, 0.0000766100000000, 0.0009794400000000 ] - [ 0.0060975700000000, 0.0001233900000000, -0.0008367500000000 ] - [ 0.0005082500000000, -0.0000453600000000, 0.0001839700000000 ] - [ -0.0008021200000000, 0.0000379500000000, -0.0001135800000000 ] - [ 0.0002437000000000, 0.0012928400000000, 0.0002462900000000 ] - [ 0.0005199100000000, -0.0001478800000000, -0.0000731300000000 ] - [ 0.0007698300000000, -0.0018137400000000, 0.0004095900000000 ] - [ 0.0006095700000000, 0.0003167100000000, -0.0000938600000000 ] - [ 0.0003671500000000, 0.0001459200000000, 0.0001060800000000 ] - [ 0.0007745700000000, 0.0000346800000000, 0.0000124900000000 ] - [ -0.0000275400000000, 0.0000463500000000, -0.0000417400000000 ] - [ 0.0005015500000000, 0.0000815100000000, 0.0000499000000000 ] - [ 0.0007761100000000, -0.0000576700000000, -0.0006062300000000 ] - [ -0.0010678900000000, 0.0000115400000000, -0.0008182700000000 ] - [ 0.0005827500000000, -0.0000627100000000, -0.0005117600000000 ] - [ -0.0007704000000000, -0.0000379200000000, -0.0004743600000000 ] - [ -0.0010960700000000, -0.0020288100000000, 0.0008817400000000 ] - [ 0.0006385700000000, 0.0000761500000000, 0.0005222400000000 ] - [ -0.0022117600000000, -0.0000373600000000, 0.0006075700000000 ] - [ 0.0006240100000000, -0.0002141200000000, 0.0004888100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0190183100000000, -0.0662929400000000, -0.0341745900000000 ] - [ 0.0000378900000000, -0.0002040900000000, -0.0000550800000000 ] - [ -0.0000520500000000, 0.0014705900000000, -0.0001640300000000 ] - [ 0.0000374300000000, -0.0001040900000000, -0.0000529300000000 ] - [ 0.0002008600000000, -0.0001558600000000, -0.0000008100000000 ] - [ -0.0004846900000000, -0.0001657400000000, 0.0004339700000000 ] - [ -0.0001608900000000, -0.0001568800000000, 0.0000232300000000 ] - [ 0.0004320100000000, -0.0001683100000000, -0.0001994900000000 ] - [ -0.0048936400000000, -0.0028365900000000, -0.0228358700000000 ] - [ 0.0003310000000000, 0.0002598800000000, 0.0006269000000000 ] - [ -0.0001729800000000, 0.0036255500000000, -0.0002069800000000 ] - [ 0.0002875300000000, 0.0004491200000000, 0.0005865600000000 ] - [ 0.0001301300000000, 0.0002021900000000, -0.0004889100000000 ] - [ -0.0008099700000000, 0.0000350900000000, -0.0006400400000000 ] - [ -0.0006323000000000, 0.0005881800000000, -0.0008052300000000 ] - [ 0.0001473000000000, 0.0007115900000000, -0.0006172300000000 ] - [ 0.0073576200000000, 0.0091410500000000, 0.0290769400000000 ] - [ 0.0007582700000000, 0.0000015300000000, -0.0001203600000000 ] - [ 0.0010541400000000, 0.0029130200000000, -0.0001519900000000 ] - [ 0.0008092900000000, 0.0001671900000000, -0.0001034700000000 ] - [ -0.0004924900000000, 0.0003350200000000, 0.0001438200000000 ] - [ -0.0013009300000000, 0.0006684700000000, 0.0000570000000000 ] - [ -0.0010594900000000, -0.0001691500000000, 0.0000087700000000 ] - [ -0.0004707300000000, -0.0006424700000000, 0.0002005300000000 ] - [ -0.0025680000000000, -0.0097875200000000, 0.0037682200000000 ] - [ -0.0004740900000000, -0.0000921800000000, -0.0002114000000000 ] - [ -0.0006710200000000, 0.0009936700000000, -0.0003112000000000 ] - [ -0.0005155700000000, 0.0000837100000000, -0.0002169300000000 ] - [ 0.0008345600000000, 0.0000500000000000, 0.0001371100000000 ] - [ -0.0013489700000000, 0.0002457000000000, 0.0008024100000000 ] - [ 0.0003399700000000, -0.0000298600000000, 0.0002660400000000 ] - [ 0.0020904000000000, -0.0001913600000000, -0.0006237800000000 ] - [ 0.0016031800000000, 0.0044985300000000, -0.0050733500000000 ] - [ -0.0000694100000000, -0.0000369300000000, 0.0003254700000000 ] - [ -0.0009516400000000, 0.0015355200000000, 0.0016232200000000 ] - [ -0.0000094200000000, -0.0000002900000000, 0.0002992100000000 ] - [ 0.0000972800000000, -0.0004600900000000, -0.0006351600000000 ] - [ 0.0001776000000000, -0.0004520500000000, -0.0004177000000000 ] - [ 0.0001664800000000, 0.0004648600000000, -0.0000402800000000 ] - [ -0.0000074000000000, 0.0005095500000000, -0.0000842700000000 ] - [ -0.0016610700000000, 0.0000452200000000, 0.0024467800000000 ] - [ -0.0009088100000000, 0.0001449800000000, -0.0000962600000000 ] - [ -0.0009382100000000, 0.0028721000000000, -0.0001596600000000 ] - [ -0.0009531800000000, 0.0003312800000000, -0.0000362800000000 ] - [ 0.0011100700000000, -0.0003066600000000, 0.0001636400000000 ] - [ 0.0005353200000000, -0.0004309800000000, 0.0001015700000000 ] - [ 0.0007797000000000, 0.0007706100000000, 0.0000904400000000 ] - [ 0.0018235500000000, 0.0011174700000000, 0.0002763100000000 ] - [ 0.0007071300000000, -0.0019845100000000, -0.0004188500000000 ] - [ 0.0001649800000000, -0.0007390700000000, 0.0000285200000000 ] - [ -0.0000319100000000, 0.0002131300000000, -0.0000146900000000 ] - [ 0.0002199100000000, -0.0002654900000000, -0.0001236100000000 ] - [ 0.0014072600000000, -0.0000956500000000, -0.0006978900000000 ] - [ -0.0001804700000000, -0.0005016300000000, 0.0000555900000000 ] - [ -0.0013379600000000, -0.0004473500000000, 0.0003379400000000 ] - [ 0.0001589200000000, -0.0005895800000000, 0.0000304400000000 ] - [ 0.0002871800000000, 0.0001576500000000, 0.0003180000000000 ] - [ 0.0004650100000000, -0.0007032500000000, 0.0000686300000000 ] - [ 0.0000772300000000, 0.0006320900000000, 0.0001489800000000 ] - [ -0.0000817200000000, 0.0013040300000000, 0.0000595200000000 ] - [ -0.0002514600000000, 0.0011778600000000, 0.0008823000000000 ] - [ -0.0000816400000000, 0.0003929800000000, -0.0001566200000000 ] - [ -0.0000228800000000, 0.0010228600000000, -0.0003932200000000 ] - [ -0.0000475600000000, 0.0003898500000000, -0.0001754000000000 ] - [ -0.0011132600000000, -0.0025778200000000, 0.0025758700000000 ] - [ 0.0001761800000000, 0.0002625900000000, -0.0001748100000000 ] - [ 0.0016355100000000, 0.0000128700000000, -0.0016704000000000 ] - [ -0.0000786700000000, 0.0004642000000000, -0.0000468700000000 ] - [ -0.0004226500000000, 0.0008372800000000, 0.0002424700000000 ] - [ -0.0002493600000000, 0.0014663800000000, -0.0001197000000000 ] - [ -0.0000495900000000, -0.0005417300000000, -0.0001056900000000 ] - [ -0.0002626400000000, -0.0011254900000000, 0.0002663400000000 ] - [ 0.0016587200000000, 0.0619482600000000, 0.0372830900000000 ] - [ -0.0002450200000000, 0.0000264900000000, 0.0006887300000000 ] - [ 0.0002053700000000, -0.0045903100000000, 0.0013177500000000 ] - [ -0.0002173500000000, -0.0002861600000000, 0.0007060000000000 ] - [ -0.0002824200000000, -0.0003113900000000, -0.0006678700000000 ] - [ 0.0021565100000000, -0.0002154800000000, -0.0013475400000000 ] - [ 0.0005448200000000, -0.0000573600000000, -0.0006181200000000 ] - [ -0.0017112500000000, 0.0002040600000000, -0.0002069600000000 ] - [ -0.0008921800000000, -0.0007652700000000, 0.0000764700000000 ] - [ 0.0003038100000000, -0.0008129700000000, 0.0001222600000000 ] - [ 0.0007039400000000, -0.0003320200000000, 0.0003961900000000 ] - [ -0.0004194600000000, -0.0002773300000000, 0.0000985400000000 ] - [ 0.0119884100000000, 0.0076529600000000, -0.0111118900000000 ] - [ -0.0000185800000000, -0.0004832000000000, -0.0002360100000000 ] - [ 0.0001426600000000, -0.0029963100000000, -0.0004879500000000 ] - [ -0.0000910300000000, -0.0006595500000000, -0.0002723300000000 ] - [ 0.0036304900000000, -0.0046569800000000, -0.0023671500000000 ] - [ 0.0000615100000000, -0.0000207800000000, -0.0000987700000000 ] - [ -0.0015716600000000, -0.0032226100000000, 0.0013121400000000 ] - [ 0.0002383200000000, -0.0000055400000000, -0.0001123500000000 ] - [ -0.0002210900000000, 0.0004497600000000, 0.0000345000000000 ] - [ 0.0007564600000000, 0.0011700600000000, 0.0006485900000000 ] - [ -0.0002091600000000, -0.0004498300000000, 0.0001178000000000 ] - [ -0.0002226100000000, -0.0009371900000000, 0.0002674800000000 ] - [ -0.0016995700000000, -0.0010451800000000, 0.0003100000000000 ] - [ 0.0000283700000000, 0.0000223400000000, 0.0000138000000000 ] - [ 0.0022851800000000, -0.0010046300000000, 0.0001314500000000 ] - [ -0.0002657300000000, 0.0001118200000000, -0.0000006600000000 ] - [ -0.0000710800000000, 0.0016184300000000, -0.0002002400000000 ] - [ 0.0001163700000000, 0.0001961700000000, 0.0000063700000000 ] - [ 0.0000803900000000, -0.0006886700000000, 0.0000432100000000 ] - [ 0.0000678100000000, -0.0000744600000000, 0.0000108600000000 ] - [ 0.0000255300000000, 0.0000399800000000, -0.0004968800000000 ] - [ -0.0000264200000000, 0.0009603900000000, -0.0007952600000000 ] - [ 0.0000329700000000, -0.0001691000000000, -0.0005032200000000 ] - [ 0.0001461500000000, -0.0008601200000000, -0.0005700500000000 ] - [ 0.0016853400000000, -0.0014848200000000, 0.0008275700000000 ] - [ -0.0001495100000000, -0.0000841300000000, 0.0005101100000000 ] - [ -0.0001338900000000, 0.0018216600000000, 0.0008239400000000 ] - [ -0.0000149800000000, -0.0000407700000000, 0.0004946900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0189607700000000, 0.0651897500000000, 0.0335872500000000 ] - [ -0.0000175400000000, -0.0000879700000000, 0.0001481700000000 ] - [ 0.0000671400000000, -0.0017650200000000, 0.0002451200000000 ] - [ -0.0000184000000000, -0.0001892800000000, 0.0001448900000000 ] - [ -0.0002207100000000, -0.0001354100000000, -0.0000919100000000 ] - [ 0.0004640900000000, -0.0001239800000000, -0.0005205400000000 ] - [ 0.0001405000000000, -0.0001367100000000, -0.0001134400000000 ] - [ -0.0004519600000000, -0.0001272000000000, 0.0001142000000000 ] - [ 0.0053682600000000, 0.0035916100000000, 0.0239409100000000 ] - [ 0.0002199400000000, 0.0005734400000000, 0.0005199000000000 ] - [ 0.0007230000000000, -0.0027898300000000, 0.0013515200000000 ] - [ 0.0002616900000000, 0.0003840400000000, 0.0005598600000000 ] - [ -0.0006809800000000, 0.0006304300000000, -0.0006584000000000 ] - [ 0.0002525800000000, 0.0008050200000000, -0.0005041500000000 ] - [ 0.0000779200000000, 0.0002399000000000, -0.0003448700000000 ] - [ -0.0006996100000000, 0.0001133700000000, -0.0005325900000000 ] - [ -0.0060446500000000, -0.0091930400000000, -0.0296729800000000 ] - [ 0.0007301900000000, 0.0000203200000000, -0.0001391900000000 ] - [ 0.0004325000000000, -0.0028991400000000, -0.0001178900000000 ] - [ 0.0006798000000000, -0.0001430400000000, -0.0001554700000000 ] - [ -0.0009966400000000, -0.0003089800000000, 0.0001143600000000 ] - [ -0.0001884900000000, -0.0006400600000000, 0.0002016900000000 ] - [ -0.0004257300000000, 0.0001890000000000, 0.0002498900000000 ] - [ -0.0010203400000000, 0.0006561400000000, 0.0000619200000000 ] - [ 0.0015940800000000, 0.0098135900000000, -0.0041146700000000 ] - [ -0.0004629600000000, 0.0000788400000000, -0.0002405100000000 ] - [ -0.0002703700000000, -0.0010079800000000, -0.0001448800000000 ] - [ -0.0004249500000000, -0.0000976400000000, -0.0002340400000000 ] - [ 0.0001053500000000, -0.0000629200000000, 0.0003145300000000 ] - [ 0.0022853800000000, -0.0002482100000000, -0.0003520600000000 ] - [ 0.0006003400000000, 0.0000150200000000, 0.0001857000000000 ] - [ -0.0011611800000000, 0.0001668700000000, 0.0010695700000000 ] - [ -0.0017424900000000, -0.0044986300000000, 0.0056689900000000 ] - [ -0.0000499900000000, 0.0000746400000000, 0.0002227700000000 ] - [ 0.0008257600000000, -0.0014920700000000, -0.0010523200000000 ] - [ -0.0001090600000000, 0.0000386200000000, 0.0002484100000000 ] - [ 0.0000225100000000, 0.0004955300000000, 0.0000869600000000 ] - [ -0.0000586800000000, 0.0004915400000000, -0.0001302800000000 ] - [ -0.0000481300000000, -0.0004247100000000, -0.0005058000000000 ] - [ 0.0001276000000000, -0.0004676000000000, -0.0004590700000000 ] - [ -0.0002345500000000, 0.0003303500000000, -0.0026077300000000 ] - [ -0.0009774500000000, 0.0002324700000000, -0.0000854100000000 ] - [ -0.0009466100000000, -0.0024988000000000, -0.0000155800000000 ] - [ -0.0009327500000000, 0.0000467700000000, -0.0001452000000000 ] - [ 0.0007772600000000, 0.0006884900000000, 0.0000165600000000 ] - [ 0.0013538700000000, 0.0008115200000000, 0.0000800300000000 ] - [ 0.0011049000000000, -0.0003906800000000, 0.0000885100000000 ] - [ 0.0000719800000000, -0.0007358000000000, -0.0000905600000000 ] - [ -0.0004666200000000, 0.0009183800000000, 0.0003432800000000 ] - [ 0.0000594600000000, -0.0003308000000000, -0.0000982600000000 ] - [ 0.0002532600000000, -0.0012850900000000, -0.0000553800000000 ] - [ 0.0000093500000000, -0.0008055300000000, 0.0000547700000000 ] - [ -0.0016399700000000, -0.0009760400000000, 0.0007750400000000 ] - [ -0.0000449100000000, -0.0005700500000000, 0.0000134900000000 ] - [ 0.0011135700000000, -0.0006258400000000, -0.0002588600000000 ] - [ -0.0003830400000000, -0.0004837000000000, 0.0000378600000000 ] - [ -0.0001488500000000, 0.0006316700000000, -0.0000110000000000 ] - [ -0.0003308400000000, 0.0014904900000000, 0.0002242200000000 ] - [ 0.0000594300000000, 0.0001560500000000, 0.0001571300000000 ] - [ 0.0002238100000000, -0.0005153700000000, 0.0002463600000000 ] - [ 0.0001245900000000, -0.0003830100000000, -0.0011746000000000 ] - [ -0.0000539300000000, 0.0003978100000000, -0.0001493000000000 ] - [ -0.0001101600000000, -0.0002391600000000, 0.0001110100000000 ] - [ -0.0000873900000000, 0.0004002400000000, -0.0001317500000000 ] - [ 0.0013310300000000, 0.0033125800000000, -0.0027947500000000 ] - [ 0.0000442200000000, 0.0004710400000000, -0.0000244100000000 ] - [ -0.0014217000000000, 0.0007307200000000, 0.0014350200000000 ] - [ 0.0002977600000000, 0.0002710300000000, -0.0001537300000000 ] - [ 0.0001933600000000, -0.0001036900000000, -0.0000374600000000 ] - [ 0.0000295800000000, -0.0007375000000000, 0.0003215500000000 ] - [ -0.0001657400000000, 0.0012762600000000, 0.0003038100000000 ] - [ 0.0000339800000000, 0.0018539300000000, -0.0000701800000000 ] - [ -0.0019158000000000, -0.0615783500000000, -0.0350334600000000 ] - [ -0.0001058500000000, -0.0002888400000000, 0.0006489100000000 ] - [ -0.0005486900000000, 0.0043254600000000, 0.0000359600000000 ] - [ -0.0001341600000000, 0.0000236800000000, 0.0006304800000000 ] - [ 0.0006325800000000, 0.0000465600000000, -0.0006704800000000 ] - [ -0.0017969800000000, -0.0000611600000000, 0.0000030800000000 ] - [ -0.0001923800000000, -0.0002041300000000, -0.0007182900000000 ] - [ 0.0020711600000000, -0.0004538600000000, -0.0011354500000000 ] - [ 0.0008657000000000, -0.0003739900000000, 0.0004289500000000 ] - [ -0.0003325500000000, -0.0003267800000000, 0.0003785500000000 ] - [ -0.0007324400000000, -0.0008036900000000, 0.0001077400000000 ] - [ 0.0003892400000000, -0.0008566900000000, 0.0004002600000000 ] - [ -0.0118365600000000, -0.0085456800000000, 0.0105508300000000 ] - [ 0.0000469400000000, -0.0006581100000000, -0.0002690600000000 ] - [ -0.0001098200000000, 0.0018504500000000, -0.0000165200000000 ] - [ 0.0001175200000000, -0.0004813600000000, -0.0002332800000000 ] - [ -0.0032615700000000, 0.0046093800000000, 0.0021706800000000 ] - [ 0.0003088500000000, -0.0000070700000000, -0.0000857000000000 ] - [ 0.0019614300000000, 0.0032416000000000, -0.0014992700000000 ] - [ 0.0001326500000000, -0.0000214000000000, -0.0000720600000000 ] - [ -0.0001510300000000, -0.0004755400000000, 0.0001492500000000 ] - [ -0.0010807200000000, -0.0011896000000000, -0.0004456700000000 ] - [ -0.0001611800000000, 0.0004240500000000, 0.0000670400000000 ] - [ -0.0001503100000000, 0.0009101300000000, -0.0000751000000000 ] - [ 0.0015245900000000, 0.0011729600000000, -0.0003650200000000 ] - [ -0.0002068100000000, 0.0001046800000000, -0.0000710400000000 ] - [ -0.0024563600000000, 0.0011366800000000, -0.0001807200000000 ] - [ 0.0000867800000000, 0.0000178300000000, -0.0000563800000000 ] - [ 0.0002412700000000, -0.0014941700000000, 0.0002520500000000 ] - [ 0.0000637600000000, -0.0000675700000000, 0.0000509300000000 ] - [ 0.0000979600000000, 0.0008178800000000, 0.0000142500000000 ] - [ 0.0001107100000000, 0.0002028300000000, 0.0000469200000000 ] - [ 0.0000890900000000, -0.0001647500000000, -0.0005070100000000 ] - [ 0.0001421600000000, -0.0010848000000000, -0.0002261200000000 ] - [ 0.0000820600000000, 0.0000446200000000, -0.0005008000000000 ] - [ -0.0000315900000000, 0.0007354600000000, -0.0004375800000000 ] - [ -0.0017924300000000, 0.0013322300000000, 0.0001872700000000 ] - [ 0.0000343000000000, -0.0000409400000000, 0.0004934400000000 ] - [ 0.0001152100000000, -0.0018014800000000, 0.0002172800000000 ] - [ -0.0001001800000000, -0.0000835300000000, 0.0005091100000000 ]- atom: 1 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0411745700000000, -0.0317061400000000, -0.4166605400000000 ] - [ -0.0003020800000000, -0.0001685100000000, 0.0000253300000000 ] - [ -0.0000009500000000, -0.0002707900000000, -0.0023840200000000 ] - [ -0.0002011800000000, -0.0001658100000000, 0.0000670800000000 ] - [ -0.0002187200000000, -0.0001358300000000, 0.0005030300000000 ] - [ -0.0004018900000000, 0.0000880800000000, 0.0013686800000000 ] - [ -0.0002973100000000, -0.0001104700000000, 0.0005017400000000 ] - [ -0.0003162400000000, -0.0005450400000000, 0.0013688800000000 ] - [ 0.0092356300000000, -0.0126924400000000, 0.0315822200000000 ] - [ -0.0000720900000000, 0.0005017000000000, 0.0004675100000000 ] - [ 0.0003710000000000, 0.0025390100000000, -0.0000876000000000 ] - [ 0.0000076500000000, 0.0004837800000000, 0.0005104600000000 ] - [ 0.0000941700000000, 0.0004659700000000, -0.0007354000000000 ] - [ -0.0018445600000000, 0.0018206700000000, -0.0001147800000000 ] - [ -0.0002927500000000, 0.0003732400000000, -0.0005405700000000 ] - [ -0.0011394000000000, -0.0005030900000000, -0.0008546800000000 ] - [ 0.0069789100000000, 0.0185279800000000, 0.0175093500000000 ] - [ 0.0004006000000000, -0.0001042800000000, -0.0002007500000000 ] - [ 0.0009262900000000, -0.0018183200000000, -0.0013015500000000 ] - [ 0.0004927400000000, -0.0000564800000000, -0.0001716700000000 ] - [ -0.0007404000000000, 0.0000179300000000, 0.0002381800000000 ] - [ -0.0016146200000000, 0.0009889000000000, 0.0001952500000000 ] - [ -0.0002977700000000, -0.0001604900000000, 0.0000136500000000 ] - [ -0.0021957300000000, -0.0013473800000000, 0.0007286500000000 ] - [ -0.0194744200000000, 0.0061267200000000, 0.0271651100000000 ] - [ -0.0009915400000000, -0.0000130000000000, -0.0002741000000000 ] - [ -0.0005243400000000, -0.0000378600000000, -0.0009029000000000 ] - [ -0.0008327600000000, 0.0000033500000000, -0.0002021900000000 ] - [ 0.0002608100000000, -0.0000000500000000, 0.0003286200000000 ] - [ -0.0015426300000000, 0.0020342500000000, 0.0006815900000000 ] - [ 0.0002788800000000, -0.0000741100000000, 0.0003149600000000 ] - [ -0.0019026000000000, -0.0021355900000000, 0.0006055500000000 ] - [ -0.0026379500000000, -0.0124140200000000, 0.0108509100000000 ] - [ -0.0002883100000000, -0.0000253400000000, 0.0003463900000000 ] - [ -0.0002398200000000, 0.0032369200000000, 0.0010348100000000 ] - [ -0.0002722400000000, 0.0000062600000000, 0.0003343400000000 ] - [ -0.0011247300000000, 0.0005235900000000, 0.0013326000000000 ] - [ -0.0000144600000000, 0.0000649100000000, -0.0001802900000000 ] - [ -0.0001116200000000, -0.0001420800000000, -0.0003012300000000 ] - [ 0.0000419400000000, 0.0002120200000000, -0.0000591000000000 ] - [ -0.0038649400000000, 0.0120721300000000, 0.0152100000000000 ] - [ -0.0011843100000000, 0.0002391800000000, -0.0000357700000000 ] - [ -0.0001509400000000, -0.0020525300000000, 0.0019480100000000 ] - [ -0.0011522600000000, 0.0002250500000000, -0.0000529600000000 ] - [ -0.0004153100000000, -0.0013159100000000, 0.0008479100000000 ] - [ 0.0012655000000000, 0.0002339700000000, 0.0002712800000000 ] - [ 0.0007645900000000, 0.0004756700000000, -0.0001395700000000 ] - [ 0.0013072500000000, 0.0003467400000000, 0.0003764600000000 ] - [ -0.0104966500000000, -0.0014269400000000, 0.0015020900000000 ] - [ 0.0002015700000000, -0.0005109300000000, -0.0000426400000000 ] - [ -0.0002161900000000, -0.0003795500000000, -0.0004212800000000 ] - [ 0.0000779900000000, -0.0004610700000000, -0.0000831800000000 ] - [ -0.0011199200000000, -0.0007869600000000, 0.0030309500000000 ] - [ -0.0005994700000000, -0.0004837100000000, 0.0002352200000000 ] - [ -0.0021841600000000, 0.0014949900000000, 0.0020561500000000 ] - [ -0.0005707100000000, -0.0005333100000000, 0.0002304400000000 ] - [ -0.0024920900000000, 0.0008630300000000, -0.0007194700000000 ] - [ 0.0010147800000000, 0.0002017100000000, -0.0022817500000000 ] - [ -0.0002336900000000, 0.0005142800000000, -0.0001644400000000 ] - [ 0.0003419000000000, 0.0003547400000000, -0.0002162500000000 ] - [ 0.0020490700000000, 0.0013126700000000, 0.0062559700000000 ] - [ -0.0003769800000000, 0.0003367800000000, -0.0002369100000000 ] - [ 0.0023210000000000, 0.0025305000000000, 0.0055737300000000 ] - [ -0.0003540000000000, 0.0003670100000000, -0.0002411500000000 ] - [ -0.0021440200000000, 0.0031237100000000, -0.0121914700000000 ] - [ 0.0007754800000000, 0.0003745600000000, -0.0002235300000000 ] - [ 0.0006414200000000, -0.0131828200000000, -0.0059058800000000 ] - [ 0.0007476400000000, 0.0003419900000000, -0.0002101800000000 ] - [ 0.0059744800000000, 0.0010039700000000, -0.0028111000000000 ] - [ -0.0005443600000000, 0.0000479100000000, -0.0002572400000000 ] - [ 0.0002862400000000, 0.0001076500000000, 0.0004553200000000 ] - [ -0.0002581600000000, -0.0000028000000000, -0.0000574300000000 ] - [ 0.0001000700000000, 0.0334930800000000, 0.2901976900000000 ] - [ 0.0006127100000000, -0.0001286800000000, 0.0008026700000000 ] - [ 0.0011841500000000, -0.0000051800000000, 0.0040888000000000 ] - [ 0.0003738900000000, -0.0001561100000000, 0.0007346400000000 ] - [ 0.0001615300000000, -0.0002470600000000, -0.0013063300000000 ] - [ 0.0023282200000000, -0.0020528800000000, -0.0028876200000000 ] - [ 0.0001475300000000, 0.0002756600000000, -0.0013417500000000 ] - [ 0.0022771800000000, 0.0020643500000000, -0.0025877600000000 ] - [ 0.0005864200000000, -0.0000404800000000, -0.0004916200000000 ] - [ 0.0003018600000000, -0.0006503900000000, -0.0004573600000000 ] - [ 0.0008115900000000, -0.0011649600000000, -0.0001750600000000 ] - [ 0.0001927200000000, -0.0005256200000000, -0.0004449900000000 ] - [ -0.0300460700000000, -0.0106333700000000, 0.0307843900000000 ] - [ 0.0003211100000000, -0.0005467400000000, -0.0003097700000000 ] - [ 0.0000058300000000, -0.0012161900000000, 0.0012056500000000 ] - [ 0.0002540300000000, -0.0005691000000000, -0.0002867500000000 ] - [ 0.0027114400000000, -0.0070308300000000, -0.0051756600000000 ] - [ 0.0005348800000000, 0.0000049000000000, -0.0000643400000000 ] - [ 0.0033204800000000, 0.0090415000000000, -0.0043913200000000 ] - [ 0.0005329900000000, -0.0000296500000000, -0.0000665800000000 ] - [ -0.0000160100000000, 0.0000712900000000, 0.0013173400000000 ] - [ 0.0083436400000000, 0.0007907900000000, 0.0042496200000000 ] - [ -0.0000187800000000, -0.0000131000000000, 0.0003237400000000 ] - [ -0.0002197600000000, -0.0001153500000000, 0.0010932300000000 ] - [ -0.0008230000000000, 0.0001563800000000, 0.0020695100000000 ] - [ 0.0002488800000000, -0.0000167200000000, 0.0002323500000000 ] - [ -0.0005633200000000, -0.0002667500000000, 0.0024678300000000 ] - [ 0.0002082000000000, 0.0001233100000000, 0.0002281600000000 ] - [ -0.0019290700000000, -0.0000932300000000, -0.0030071300000000 ] - [ 0.0006256400000000, 0.0000672200000000, -0.0002136200000000 ] - [ -0.0002088000000000, 0.0000677300000000, -0.0006527700000000 ] - [ 0.0004062300000000, 0.0000561600000000, -0.0000936700000000 ] - [ 0.0003823400000000, -0.0000494900000000, -0.0006986700000000 ] - [ -0.0006323500000000, 0.0002567100000000, -0.0049014600000000 ] - [ 0.0002999900000000, -0.0000645200000000, -0.0005725500000000 ] - [ -0.0004018600000000, -0.0001119600000000, -0.0011918600000000 ] - [ -0.0015030300000000, 0.0013615800000000, 0.0028203400000000 ] - [ 0.0003129100000000, 0.0000726300000000, 0.0006056300000000 ] - [ -0.0012972700000000, -0.0007892500000000, 0.0027236400000000 ] - [ 0.0002920400000000, -0.0002055400000000, 0.0005685800000000 ]- atom: 1 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0385902100000000, 0.0358258100000000, 0.4371877100000000 ] - [ 0.0003232800000000, -0.0001206900000000, 0.0001743500000000 ] - [ 0.0000237800000000, -0.0000160100000000, 0.0025964500000000 ] - [ 0.0002219600000000, -0.0001229700000000, 0.0001328900000000 ] - [ 0.0001995300000000, -0.0001524600000000, -0.0007059900000000 ] - [ 0.0003850600000000, -0.0003806600000000, -0.0015755400000000 ] - [ 0.0002767400000000, -0.0001786000000000, -0.0007041000000000 ] - [ 0.0002983000000000, 0.0002603000000000, -0.0015748800000000 ] - [ -0.0089406800000000, 0.0138873800000000, -0.0310736200000000 ] - [ 0.0006400900000000, 0.0004001500000000, 0.0006387500000000 ] - [ 0.0001918400000000, -0.0016416700000000, 0.0011955200000000 ] - [ 0.0005607700000000, 0.0004180600000000, 0.0005960100000000 ] - [ -0.0006620900000000, 0.0004391800000000, -0.0003654600000000 ] - [ 0.0012895200000000, -0.0009265700000000, -0.0009890800000000 ] - [ -0.0002715700000000, 0.0005303400000000, -0.0005613400000000 ] - [ 0.0005777400000000, 0.0014135500000000, -0.0002459300000000 ] - [ -0.0055935800000000, -0.0188396700000000, -0.0179606800000000 ] - [ 0.0011189300000000, 0.0000659900000000, -0.0000893200000000 ] - [ 0.0005886200000000, 0.0017872900000000, 0.0010218900000000 ] - [ 0.0010260900000000, 0.0000180500000000, -0.0001185200000000 ] - [ -0.0007763400000000, -0.0000573200000000, 0.0000537900000000 ] - [ 0.0001000600000000, -0.0010355000000000, 0.0000984100000000 ] - [ -0.0012239800000000, 0.0001205500000000, 0.0002813300000000 ] - [ 0.0006883200000000, 0.0013164600000000, -0.0004382200000000 ] - [ 0.0190750000000000, -0.0063062600000000, -0.0281640600000000 ] - [ 0.0001449000000000, -0.0000033300000000, -0.0001916700000000 ] - [ -0.0003245900000000, 0.0000215200000000, 0.0004399000000000 ] - [ -0.0000153200000000, -0.0000197500000000, -0.0002646600000000 ] - [ 0.0005891200000000, -0.0000158700000000, 0.0001379500000000 ] - [ 0.0023916600000000, -0.0020632500000000, -0.0002120100000000 ] - [ 0.0005708900000000, 0.0000577700000000, 0.0001525200000000 ] - [ 0.0027581600000000, 0.0021299600000000, -0.0001305000000000 ] - [ 0.0025121400000000, 0.0124414900000000, -0.0103489400000000 ] - [ 0.0001895000000000, 0.0001051300000000, 0.0001755500000000 ] - [ 0.0001397000000000, -0.0031537900000000, -0.0005291200000000 ] - [ 0.0001729900000000, 0.0000731400000000, 0.0001884300000000 ] - [ 0.0012334500000000, -0.0004505200000000, -0.0018713900000000 ] - [ 0.0001192300000000, 0.0000158600000000, -0.0003469400000000 ] - [ 0.0002110700000000, 0.0002235300000000, -0.0002219300000000 ] - [ 0.0000587200000000, -0.0001337300000000, -0.0004659000000000 ] - [ 0.0019756200000000, -0.0117014500000000, -0.0152971300000000 ] - [ -0.0006753300000000, 0.0000879700000000, -0.0001725400000000 ] - [ -0.0017088500000000, 0.0023757800000000, -0.0021581200000000 ] - [ -0.0007076800000000, 0.0001016700000000, -0.0001557200000000 ] - [ 0.0022861400000000, 0.0016551300000000, -0.0006469800000000 ] - [ 0.0005949800000000, 0.0000941600000000, -0.0000683400000000 ] - [ 0.0010950800000000, -0.0001499100000000, 0.0003455800000000 ] - [ 0.0005488900000000, -0.0000207800000000, -0.0001724900000000 ] - [ 0.0108232900000000, 0.0003493600000000, -0.0015699400000000 ] - [ 0.0000524700000000, -0.0005610100000000, -0.0000054700000000 ] - [ 0.0004718600000000, -0.0006936800000000, 0.0003752400000000 ] - [ 0.0001779600000000, -0.0006125400000000, 0.0000379900000000 ] - [ 0.0008606200000000, -0.0002833900000000, -0.0029895200000000 ] - [ 0.0003462800000000, -0.0005894900000000, -0.0001898200000000 ] - [ 0.0019132100000000, -0.0025623200000000, -0.0020168300000000 ] - [ 0.0003172900000000, -0.0005392900000000, -0.0001852500000000 ] - [ 0.0026043100000000, -0.0000676000000000, 0.0010073800000000 ] - [ -0.0009354200000000, 0.0006011800000000, 0.0025657200000000 ] - [ 0.0003284000000000, 0.0002828000000000, 0.0004488200000000 ] - [ -0.0002502700000000, 0.0004429000000000, 0.0005017300000000 ] - [ -0.0021504300000000, -0.0005171600000000, -0.0065502200000000 ] - [ 0.0002832800000000, 0.0004610700000000, -0.0000457900000000 ] - [ -0.0024130300000000, -0.0017168400000000, -0.0058747300000000 ] - [ 0.0002600500000000, 0.0004308200000000, -0.0000423600000000 ] - [ 0.0023544700000000, -0.0024034700000000, 0.0120331400000000 ] - [ -0.0005753700000000, 0.0003637800000000, 0.0000290200000000 ] - [ -0.0004263000000000, 0.0139231200000000, 0.0057439800000000 ] - [ -0.0005476500000000, 0.0003966400000000, 0.0000143200000000 ] - [ -0.0062430300000000, -0.0002750000000000, 0.0030402800000000 ] - [ 0.0003435200000000, 0.0006884700000000, 0.0004709000000000 ] - [ -0.0004893100000000, 0.0006323800000000, -0.0002586800000000 ] - [ 0.0000577900000000, 0.0007460100000000, 0.0002574000000000 ] - [ -0.0009315500000000, -0.0373291800000000, -0.3097574800000000 ] - [ -0.0009702700000000, -0.0001373900000000, 0.0005201700000000 ] - [ -0.0015402500000000, -0.0002632100000000, -0.0027796500000000 ] - [ -0.0007299900000000, -0.0001094100000000, 0.0005877700000000 ] - [ 0.0001906600000000, -0.0000198700000000, -0.0000163000000000 ] - [ -0.0019791000000000, 0.0018035900000000, 0.0015684800000000 ] - [ 0.0002064900000000, -0.0005456400000000, 0.0000186800000000 ] - [ -0.0019266900000000, -0.0023459400000000, 0.0012685200000000 ] - [ -0.0006127900000000, -0.0011005700000000, 0.0010043700000000 ] - [ -0.0003316500000000, -0.0004846500000000, 0.0009686000000000 ] - [ -0.0008334100000000, 0.0000343800000000, 0.0006872300000000 ] - [ -0.0002219000000000, -0.0006140900000000, 0.0009567700000000 ] - [ 0.0280169700000000, 0.0088224400000000, -0.0295669800000000 ] - [ -0.0002961700000000, -0.0005935800000000, -0.0001958800000000 ] - [ 0.0000218400000000, 0.0000762800000000, -0.0017108400000000 ] - [ -0.0002285400000000, -0.0005710900000000, -0.0002189600000000 ] - [ -0.0023379900000000, 0.0070165000000000, 0.0050069100000000 ] - [ -0.0001584500000000, -0.0000329600000000, -0.0001128700000000 ] - [ -0.0029716300000000, -0.0091222100000000, 0.0042131400000000 ] - [ -0.0001566000000000, 0.0000023100000000, -0.0001102700000000 ] - [ -0.0003640600000000, -0.0000974900000000, -0.0011498500000000 ] - [ -0.0087625100000000, -0.0008268700000000, -0.0041210900000000 ] - [ -0.0003603600000000, -0.0000127900000000, -0.0001477500000000 ] - [ -0.0001569700000000, 0.0000894900000000, -0.0009233600000000 ] - [ 0.0006435000000000, -0.0000357400000000, -0.0021311300000000 ] - [ -0.0004276300000000, 0.0001471800000000, -0.0002871800000000 ] - [ 0.0003745000000000, 0.0004126200000000, -0.0025339300000000 ] - [ -0.0003864400000000, 0.0000063100000000, -0.0002832000000000 ] - [ 0.0021211700000000, 0.0002292800000000, 0.0030708400000000 ] - [ -0.0004524200000000, 0.0000625600000000, 0.0002683100000000 ] - [ 0.0003885500000000, 0.0000605100000000, 0.0007073100000000 ] - [ -0.0002309800000000, 0.0000737500000000, 0.0001479200000000 ] - [ -0.0002693700000000, -0.0000738500000000, -0.0003073200000000 ] - [ 0.0007386900000000, -0.0003779900000000, 0.0038994100000000 ] - [ -0.0001860900000000, -0.0000588300000000, -0.0004344700000000 ] - [ 0.0005170900000000, -0.0000120400000000, 0.0001876000000000 ] - [ 0.0014022000000000, -0.0015008500000000, -0.0018111000000000 ] - [ -0.0004301500000000, -0.0001970900000000, 0.0004013400000000 ] - [ 0.0011897400000000, 0.0006703500000000, -0.0017156900000000 ] - [ -0.0004090400000000, 0.0000836200000000, 0.0004387100000000 ]- atom: 9 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0093428500000000, -0.0052557800000000, 0.0089724100000000 ] - [ 0.0007225600000000, -0.0001093000000000, -0.0003836800000000 ] - [ -0.0010448300000000, -0.0006120400000000, 0.0000527000000000 ] - [ 0.0005819900000000, -0.0001527700000000, -0.0003053000000000 ] - [ 0.0004800000000000, 0.0001900900000000, 0.0000234900000000 ] - [ 0.0000851200000000, -0.0005882600000000, -0.0008259600000000 ] - [ 0.0005946700000000, -0.0005704400000000, 0.0004099500000000 ] - [ 0.0005173300000000, 0.0003663300000000, -0.0015363200000000 ] - [ -0.1561973400000000, 0.0829811600000000, -0.0560947500000000 ] - [ 0.0011653200000000, 0.0002905800000000, 0.0006536200000000 ] - [ -0.0007292700000000, 0.0002602400000000, 0.0006701700000000 ] - [ 0.0010126100000000, 0.0002305700000000, 0.0006634300000000 ] - [ 0.0006917800000000, 0.0013638000000000, -0.0007207500000000 ] - [ 0.0012316700000000, -0.0020273400000000, -0.0016593400000000 ] - [ 0.0006884400000000, -0.0004535800000000, -0.0003459400000000 ] - [ 0.0012379900000000, 0.0019067700000000, -0.0003118900000000 ] - [ -0.0105878100000000, 0.0091205000000000, -0.0000864400000000 ] - [ 0.0016166300000000, 0.0002673200000000, -0.0001260400000000 ] - [ -0.0018920400000000, -0.0018975400000000, -0.0003938800000000 ] - [ 0.0015238600000000, 0.0001759000000000, -0.0001546300000000 ] - [ -0.0005293400000000, 0.0002213700000000, 0.0000915200000000 ] - [ -0.0004526000000000, -0.0008409300000000, 0.0001237100000000 ] - [ 0.0017562200000000, -0.0007970900000000, 0.0003356500000000 ] - [ 0.0008080300000000, 0.0010464900000000, -0.0005747300000000 ] - [ 0.0290375500000000, -0.0251379700000000, 0.0079879700000000 ] - [ 0.0010916100000000, 0.0000506300000000, -0.0004758700000000 ] - [ -0.0028930200000000, 0.0000628700000000, 0.0003270600000000 ] - [ 0.0007464500000000, -0.0001219700000000, -0.0004331300000000 ] - [ 0.0017819700000000, 0.0001911300000000, 0.0000814700000000 ] - [ -0.0002032300000000, -0.0022131700000000, -0.0003828100000000 ] - [ 0.0025497800000000, -0.0002938400000000, -0.0000018900000000 ] - [ 0.0075815600000000, 0.0030314700000000, -0.0011273600000000 ] - [ -0.0012291800000000, -0.0007154800000000, 0.0011212600000000 ] - [ 0.0005310000000000, -0.0000865400000000, 0.0003302400000000 ] - [ -0.0014830000000000, -0.0002365600000000, 0.0000608100000000 ] - [ 0.0005374800000000, 0.0000302900000000, 0.0002572400000000 ] - [ 0.0005975000000000, -0.0000053900000000, 0.0003221400000000 ] - [ 0.0007336900000000, 0.0000769500000000, 0.0001693800000000 ] - [ 0.0001475900000000, -0.0002708400000000, -0.0004673000000000 ] - [ 0.0002625300000000, -0.0000721700000000, -0.0003461000000000 ] - [ -0.0025871900000000, 0.0008498700000000, 0.0010243200000000 ] - [ -0.0002901800000000, 0.0002511900000000, -0.0000282200000000 ] - [ -0.0018072500000000, 0.0000192100000000, -0.0000172100000000 ] - [ -0.0004014600000000, 0.0001236400000000, -0.0000631100000000 ] - [ 0.0011978200000000, 0.0008366200000000, 0.0000972400000000 ] - [ 0.0013966200000000, -0.0003561300000000, 0.0003652200000000 ] - [ 0.0013913300000000, -0.0005934300000000, -0.0001586500000000 ] - [ 0.0012100000000000, 0.0005497400000000, -0.0000294700000000 ] - [ -0.0006364300000000, 0.0002637600000000, -0.0008680300000000 ] - [ 0.0016533200000000, -0.0006305100000000, 0.0000012300000000 ] - [ -0.0003234400000000, -0.0012119300000000, -0.0003071500000000 ] - [ 0.0008417100000000, -0.0004680400000000, -0.0000741800000000 ] - [ -0.0018226100000000, 0.0002577700000000, 0.0008734100000000 ] - [ 0.0011052700000000, -0.0006724400000000, -0.0001456500000000 ] - [ -0.0017486800000000, -0.0010958900000000, 0.0015597300000000 ] - [ 0.0012426200000000, -0.0005064200000000, -0.0001923500000000 ] - [ 0.0005290900000000, 0.0006727200000000, 0.0001817200000000 ] - [ 0.0019467900000000, 0.0002700200000000, 0.0024822900000000 ] - [ 0.0004236400000000, 0.0000800300000000, 0.0003137300000000 ] - [ 0.0002008900000000, 0.0003766400000000, 0.0003855900000000 ] - [ -0.0015991800000000, 0.0001175400000000, -0.0006141000000000 ] - [ 0.0007371700000000, 0.0005289600000000, 0.0002157900000000 ] - [ -0.0026298100000000, 0.0006914200000000, -0.0008393300000000 ] - [ 0.0008326100000000, 0.0005523900000000, 0.0002796300000000 ] - [ 0.0029742200000000, 0.0007164400000000, -0.0009545900000000 ] - [ -0.0015036900000000, 0.0004083200000000, -0.0001519000000000 ] - [ 0.0044539100000000, 0.0007267600000000, -0.0007455400000000 ] - [ -0.0016525500000000, 0.0002029400000000, -0.0000905700000000 ] - [ -0.0008228500000000, -0.0006373000000000, -0.0003835100000000 ] - [ -0.0025607500000000, 0.0014427400000000, -0.0009870600000000 ] - [ -0.0003365900000000, 0.0015996900000000, 0.0000473900000000 ] - [ -0.0009031600000000, 0.0000627400000000, 0.0002300000000000 ] - [ 0.1158194500000000, -0.0905684600000000, 0.0534866600000000 ] - [ -0.0020818000000000, -0.0001034900000000, 0.0011044900000000 ] - [ 0.0030167600000000, 0.0008425700000000, 0.0002310900000000 ] - [ -0.0017416400000000, -0.0000139300000000, 0.0009782200000000 ] - [ -0.0013744100000000, -0.0012553400000000, -0.0006577700000000 ] - [ -0.0000159400000000, 0.0025983800000000, 0.0009469300000000 ] - [ -0.0026186200000000, 0.0016887200000000, -0.0011733100000000 ] - [ -0.0031905800000000, -0.0019874000000000, 0.0020880500000000 ] - [ 0.0000814200000000, -0.0009440400000000, 0.0001876700000000 ] - [ -0.0007735500000000, -0.0002084400000000, 0.0003301600000000 ] - [ -0.0003318000000000, -0.0001667100000000, 0.0001389200000000 ] - [ -0.0009233000000000, -0.0008978600000000, 0.0005879700000000 ] - [ 0.0039499000000000, -0.0009792100000000, -0.0018805600000000 ] - [ -0.0011781300000000, -0.0005844700000000, -0.0002403900000000 ] - [ 0.0012134700000000, -0.0000162000000000, -0.0001427600000000 ] - [ -0.0008358300000000, -0.0005900400000000, -0.0001749000000000 ] - [ 0.0033259900000000, 0.0008832300000000, -0.0000903100000000 ] - [ -0.0008322700000000, 0.0000103800000000, -0.0002697000000000 ] - [ 0.0233653300000000, 0.0278801700000000, -0.0130678400000000 ] - [ -0.0011196400000000, 0.0000082400000000, -0.0003134800000000 ] - [ -0.0019296700000000, -0.0006998900000000, 0.0004753900000000 ] - [ -0.0082049100000000, -0.0013403900000000, -0.0017733400000000 ] - [ -0.0010806200000000, 0.0004950100000000, 0.0001608500000000 ] - [ 0.0005606000000000, -0.0003788100000000, -0.0003492200000000 ] - [ 0.0004148400000000, -0.0002879800000000, 0.0001940700000000 ] - [ -0.0008007500000000, 0.0002498600000000, -0.0001422100000000 ] - [ 0.0015460900000000, 0.0001773800000000, -0.0001851300000000 ] - [ -0.0008963900000000, -0.0001018400000000, -0.0001718000000000 ] - [ 0.0035807000000000, 0.0012903500000000, 0.0017463200000000 ] - [ -0.0008063100000000, 0.0001032200000000, 0.0001811700000000 ] - [ 0.0004762600000000, 0.0006012700000000, -0.0001122200000000 ] - [ -0.0005296400000000, 0.0000113900000000, 0.0000913700000000 ] - [ -0.0007939700000000, -0.0001473000000000, -0.0005822900000000 ] - [ 0.0005693300000000, 0.0000607300000000, 0.0013540000000000 ] - [ -0.0005519600000000, 0.0000245200000000, -0.0005431200000000 ] - [ 0.0007297600000000, -0.0001480200000000, -0.0002817500000000 ] - [ 0.0005771100000000, 0.0009391800000000, -0.0000895700000000 ] - [ -0.0006651800000000, -0.0001136000000000, 0.0005590000000000 ] - [ 0.0006490000000000, -0.0011545000000000, -0.0005117700000000 ] - [ -0.0008387400000000, -0.0000112100000000, 0.0006043400000000 ]- atom: 9 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0092490700000000, 0.0050096700000000, -0.0089077200000000 ] - [ -0.0006970200000000, -0.0001814200000000, 0.0004772400000000 ] - [ 0.0010682500000000, 0.0003224500000000, 0.0000361000000000 ] - [ -0.0005574700000000, -0.0001375400000000, 0.0003988700000000 ] - [ -0.0005049300000000, -0.0004825900000000, -0.0001157900000000 ] - [ -0.0001140300000000, 0.0002962500000000, 0.0007331300000000 ] - [ -0.0006185800000000, 0.0002815100000000, -0.0005070700000000 ] - [ -0.0005425000000000, -0.0006559200000000, 0.0014396900000000 ] - [ 0.1558747000000000, -0.0793449000000000, 0.0557292900000000 ] - [ -0.0006131600000000, 0.0005362800000000, 0.0004967500000000 ] - [ 0.0012805000000000, 0.0005798800000000, 0.0004794200000000 ] - [ -0.0004570400000000, 0.0006000100000000, 0.0004848600000000 ] - [ -0.0012463500000000, -0.0005413800000000, -0.0004274600000000 ] - [ -0.0017858000000000, 0.0028486300000000, 0.0005078400000000 ] - [ -0.0012481700000000, 0.0012897800000000, -0.0008033900000000 ] - [ -0.0017904200000000, -0.0010718000000000, -0.0008353700000000 ] - [ 0.0120484500000000, -0.0089257700000000, -0.0002326700000000 ] - [ -0.0001190800000000, -0.0002371600000000, -0.0001357400000000 ] - [ 0.0034003700000000, 0.0019149600000000, 0.0001265900000000 ] - [ -0.0000287300000000, -0.0001389800000000, -0.0001040800000000 ] - [ -0.0009652500000000, -0.0001895400000000, 0.0001712100000000 ] - [ -0.0010482100000000, 0.0008718400000000, 0.0001386300000000 ] - [ -0.0032608800000000, 0.0008339600000000, -0.0000774700000000 ] - [ -0.0023098100000000, -0.0010140900000000, 0.0008401000000000 ] - [ -0.0292942700000000, 0.0245284000000000, -0.0083532000000000 ] - [ -0.0020396200000000, -0.0000635800000000, 0.0000280900000000 ] - [ 0.0019367400000000, -0.0000753600000000, -0.0007750500000000 ] - [ -0.0016911600000000, 0.0001109200000000, -0.0000129500000000 ] - [ -0.0008362800000000, -0.0002039800000000, 0.0003648600000000 ] - [ 0.0011370900000000, 0.0021864600000000, 0.0008327700000000 ] - [ -0.0016069800000000, 0.0002823900000000, 0.0004515000000000 ] - [ -0.0065710500000000, -0.0030132800000000, 0.0015760100000000 ] - [ 0.0011201800000000, 0.0007630700000000, -0.0005834100000000 ] - [ -0.0006478200000000, 0.0001199900000000, 0.0002174800000000 ] - [ 0.0013758100000000, 0.0002695500000000, 0.0004884700000000 ] - [ -0.0006543300000000, 0.0000057200000000, 0.0002890100000000 ] - [ -0.0004813200000000, 0.0000405500000000, -0.0008724700000000 ] - [ -0.0006170200000000, -0.0000401800000000, -0.0007143800000000 ] - [ -0.0000284000000000, 0.0003086300000000, -0.0000770200000000 ] - [ -0.0001476000000000, 0.0001061000000000, -0.0002012600000000 ] - [ 0.0007149800000000, -0.0004829200000000, -0.0012084100000000 ] - [ -0.0015914700000000, 0.0001260300000000, -0.0001497500000000 ] - [ -0.0000691000000000, 0.0003609600000000, -0.0001619400000000 ] - [ -0.0014803100000000, 0.0002530700000000, -0.0001149000000000 ] - [ 0.0006853000000000, -0.0004629200000000, 0.0000785800000000 ] - [ 0.0004828900000000, 0.0007320100000000, -0.0001887400000000 ] - [ 0.0004898000000000, 0.0009770800000000, 0.0003381300000000 ] - [ 0.0006698100000000, -0.0001719800000000, 0.0002064400000000 ] - [ 0.0008676300000000, -0.0013416900000000, 0.0008071400000000 ] - [ -0.0014439200000000, -0.0004417600000000, -0.0000674200000000 ] - [ 0.0005456700000000, 0.0001469100000000, 0.0002397400000000 ] - [ -0.0006330400000000, -0.0006035700000000, 0.0000078400000000 ] - [ 0.0016268100000000, -0.0013342500000000, -0.0008104700000000 ] - [ -0.0013146800000000, -0.0004000400000000, 0.0002128000000000 ] - [ 0.0015524900000000, 0.0000244900000000, -0.0015012500000000 ] - [ -0.0014559300000000, -0.0005655400000000, 0.0002588100000000 ] - [ -0.0003908800000000, 0.0001128300000000, 0.0001282300000000 ] - [ -0.0018091300000000, 0.0005188700000000, -0.0021759700000000 ] - [ -0.0002844100000000, 0.0007091800000000, -0.0000083000000000 ] - [ -0.0000677000000000, 0.0004126800000000, -0.0000801900000000 ] - [ 0.0014671300000000, 0.0006776000000000, 0.0003132800000000 ] - [ -0.0008747600000000, 0.0002586800000000, -0.0005207800000000 ] - [ 0.0025043200000000, 0.0000996500000000, 0.0005384700000000 ] - [ -0.0009698800000000, 0.0002370400000000, -0.0005897000000000 ] - [ -0.0027744300000000, 0.0000105400000000, 0.0007659900000000 ] - [ 0.0017230300000000, 0.0003278100000000, -0.0000459800000000 ] - [ -0.0042680600000000, 0.0000172000000000, 0.0005506400000000 ] - [ 0.0018731200000000, 0.0005324400000000, -0.0001072400000000 ] - [ 0.0005982400000000, 0.0013808100000000, 0.0005879700000000 ] - [ 0.0023481500000000, -0.0007044700000000, 0.0011831100000000 ] - [ 0.0001153600000000, -0.0008732200000000, 0.0001517100000000 ] - [ 0.0006930000000000, 0.0006728400000000, -0.0000301800000000 ] - [ -0.1156620500000000, 0.0872392200000000, -0.0502553700000000 ] - [ 0.0017326400000000, -0.0001577800000000, 0.0002301600000000 ] - [ -0.0033449300000000, -0.0011012400000000, 0.0011139200000000 ] - [ 0.0013897000000000, -0.0002509100000000, 0.0003558100000000 ] - [ 0.0017277100000000, 0.0009983200000000, -0.0006796900000000 ] - [ 0.0003806400000000, -0.0028462800000000, -0.0022781000000000 ] - [ 0.0029822900000000, -0.0019646700000000, -0.0001581400000000 ] - [ 0.0035503000000000, 0.0017192200000000, -0.0034162200000000 ] - [ -0.0001155400000000, -0.0001903500000000, 0.0003187700000000 ] - [ 0.0007467800000000, -0.0009280000000000, 0.0001755500000000 ] - [ 0.0002991400000000, -0.0009721600000000, 0.0003664900000000 ] - [ 0.0008968200000000, -0.0002399700000000, -0.0000819500000000 ] - [ -0.0039569100000000, -0.0001632700000000, 0.0013983200000000 ] - [ 0.0012098500000000, -0.0005556400000000, -0.0002651900000000 ] - [ -0.0011916200000000, -0.0011267200000000, -0.0003628300000000 ] - [ 0.0008681600000000, -0.0005509500000000, -0.0003303400000000 ] - [ -0.0029189300000000, -0.0009365900000000, -0.0001234000000000 ] - [ 0.0012021600000000, -0.0000375600000000, 0.0000859800000000 ] - [ -0.0230919500000000, -0.0271951400000000, 0.0125619300000000 ] - [ 0.0014915600000000, -0.0000363000000000, 0.0001300200000000 ] - [ 0.0015675400000000, 0.0006793000000000, -0.0002946900000000 ] - [ 0.0078008200000000, 0.0012977700000000, 0.0019449500000000 ] - [ 0.0007127600000000, -0.0005254600000000, 0.0000219600000000 ] - [ -0.0009213800000000, 0.0003517200000000, 0.0005316000000000 ] - [ -0.0006059700000000, 0.0004141200000000, -0.0002494800000000 ] - [ 0.0006235000000000, -0.0001203300000000, 0.0000823900000000 ] - [ -0.0018114200000000, 0.0000198000000000, 0.0002048900000000 ] - [ 0.0007192800000000, 0.0002300500000000, 0.0001121500000000 ] - [ -0.0035411600000000, -0.0012647500000000, -0.0018311500000000 ] - [ 0.0009855700000000, 0.0000258400000000, -0.0001211500000000 ] - [ -0.0003019700000000, -0.0004771500000000, 0.0001705600000000 ] - [ 0.0007101000000000, 0.0001173500000000, -0.0000320400000000 ] - [ 0.0009116300000000, 0.0000234100000000, -0.0004220600000000 ] - [ -0.0004442000000000, -0.0001868700000000, -0.0023519600000000 ] - [ 0.0006683400000000, -0.0001499600000000, -0.0004614300000000 ] - [ -0.0006102900000000, 0.0000239600000000, -0.0007238800000000 ] - [ -0.0006800400000000, -0.0010661800000000, 0.0010934200000000 ] - [ 0.0005510600000000, -0.0000106600000000, 0.0004453400000000 ] - [ -0.0007539000000000, 0.0010329200000000, 0.0015158000000000 ] - [ 0.0007259900000000, -0.0001139900000000, 0.0003999600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058149500000000, -0.0031986300000000, -0.0131997400000000 ] - [ -0.0001033000000000, -0.0002404000000000, 0.0001945000000000 ] - [ 0.0010369100000000, 0.0031297000000000, 0.0022499700000000 ] - [ -0.0000827600000000, -0.0000491700000000, 0.0001763800000000 ] - [ 0.0001742300000000, 0.0000930000000000, -0.0000662700000000 ] - [ -0.0005903100000000, 0.0002189000000000, 0.0008119000000000 ] - [ -0.0004169100000000, -0.0002973200000000, -0.0001576600000000 ] - [ 0.0015387000000000, -0.0004679700000000, -0.0015094500000000 ] - [ 0.0775911100000000, -0.2984647700000000, 0.1309640400000000 ] - [ 0.0002042800000000, 0.0002712400000000, 0.0005860500000000 ] - [ 0.0001665700000000, 0.0106479900000000, -0.0014589600000000 ] - [ 0.0001394400000000, 0.0006997700000000, 0.0004993600000000 ] - [ 0.0005462200000000, 0.0006082300000000, -0.0003527400000000 ] - [ -0.0018137900000000, 0.0015373800000000, 0.0001328000000000 ] - [ -0.0012829400000000, 0.0006034600000000, -0.0008626500000000 ] - [ 0.0021170300000000, 0.0015319300000000, -0.0004422500000000 ] - [ -0.0073333000000000, 0.0461276300000000, -0.0093665400000000 ] - [ 0.0005818500000000, -0.0001677900000000, -0.0001533900000000 ] - [ 0.0027234100000000, 0.0215342500000000, 0.0046606600000000 ] - [ 0.0006919800000000, 0.0000356400000000, -0.0001265200000000 ] - [ -0.0006661600000000, 0.0007224200000000, 0.0002441400000000 ] - [ -0.0015652600000000, 0.0017659900000000, -0.0000097500000000 ] - [ -0.0013729600000000, -0.0009584000000000, -0.0000469900000000 ] - [ 0.0005426500000000, -0.0031117500000000, 0.0007264700000000 ] - [ -0.0223088400000000, 0.0013844100000000, -0.0045089800000000 ] - [ -0.0005136500000000, -0.0001636900000000, -0.0001819600000000 ] - [ 0.0020368400000000, 0.0028146700000000, -0.0002508000000000 ] - [ -0.0006926000000000, 0.0001557100000000, -0.0002153100000000 ] - [ 0.0006533800000000, 0.0001986000000000, 0.0001846700000000 ] - [ -0.0025450500000000, 0.0019249500000000, 0.0010682500000000 ] - [ -0.0002777400000000, -0.0001643400000000, 0.0003699400000000 ] - [ 0.0128701000000000, 0.0007965500000000, -0.0009236700000000 ] - [ 0.0006524900000000, 0.0011506600000000, -0.0007376600000000 ] - [ -0.0001934300000000, 0.0001284200000000, 0.0002033700000000 ] - [ -0.0008879900000000, -0.0001471300000000, -0.0015692800000000 ] - [ -0.0000866100000000, 0.0000226300000000, 0.0002442900000000 ] - [ 0.0003032900000000, -0.0009341400000000, -0.0006227800000000 ] - [ -0.0002505500000000, -0.0005872300000000, -0.0010316100000000 ] - [ -0.0000829700000000, 0.0008709100000000, 0.0001271700000000 ] - [ 0.0001426600000000, 0.0005631200000000, -0.0000602200000000 ] - [ -0.0008633500000000, -0.0044683600000000, -0.0025300700000000 ] - [ -0.0009955300000000, -0.0001139800000000, -0.0002044300000000 ] - [ -0.0008570900000000, 0.0029123400000000, 0.0004502000000000 ] - [ -0.0010295600000000, 0.0003773700000000, -0.0000725100000000 ] - [ 0.0013192800000000, -0.0001425100000000, -0.0000455100000000 ] - [ 0.0004483200000000, 0.0001786400000000, -0.0001550400000000 ] - [ 0.0003716500000000, 0.0009371900000000, 0.0003061400000000 ] - [ 0.0012045100000000, 0.0004348200000000, 0.0000076000000000 ] - [ 0.0017865200000000, -0.0015372900000000, -0.0006363200000000 ] - [ -0.0006795000000000, -0.0006413500000000, -0.0001160600000000 ] - [ -0.0003868300000000, 0.0005914800000000, 0.0002059300000000 ] - [ 0.0002734500000000, -0.0003610700000000, -0.0000400000000000 ] - [ 0.0008812400000000, 0.0003487600000000, 0.0001587900000000 ] - [ -0.0005312200000000, -0.0003914300000000, 0.0000867600000000 ] - [ -0.0022150300000000, -0.0014574300000000, -0.0013693700000000 ] - [ -0.0000225100000000, -0.0006780700000000, -0.0000423400000000 ] - [ 0.0004421200000000, -0.0000772600000000, 0.0003597200000000 ] - [ -0.0015652400000000, -0.0000226200000000, -0.0013698000000000 ] - [ -0.0002702900000000, 0.0008971900000000, -0.0000746500000000 ] - [ 0.0001870100000000, 0.0009265700000000, 0.0003649600000000 ] - [ 0.0006096300000000, 0.0020850900000000, 0.0023307900000000 ] - [ -0.0001569700000000, 0.0004293900000000, -0.0001628200000000 ] - [ -0.0009901700000000, 0.0027611000000000, -0.0102761200000000 ] - [ -0.0001544700000000, 0.0003257700000000, -0.0002225800000000 ] - [ -0.0017014200000000, -0.0034219400000000, -0.0006551000000000 ] - [ 0.0004710300000000, 0.0000787100000000, -0.0001325600000000 ] - [ 0.0053639000000000, 0.0075011800000000, 0.0066459200000000 ] - [ 0.0001402300000000, 0.0006986900000000, 0.0000251500000000 ] - [ -0.0014179000000000, 0.0012043500000000, 0.0006130500000000 ] - [ 0.0014479900000000, 0.0002809500000000, 0.0013325400000000 ] - [ 0.0006055400000000, -0.0011051600000000, -0.0001745900000000 ] - [ -0.0003189700000000, -0.0002015600000000, -0.0000558100000000 ] - [ -0.0806265600000000, 0.1881462700000000, -0.0797372500000000 ] - [ -0.0000085900000000, 0.0001386500000000, 0.0005577200000000 ] - [ -0.0056197100000000, -0.0147509800000000, 0.0000371400000000 ] - [ 0.0001266500000000, -0.0004265100000000, 0.0006134600000000 ] - [ -0.0002911600000000, -0.0011088300000000, -0.0008367000000000 ] - [ 0.0028969100000000, -0.0021795800000000, -0.0024318400000000 ] - [ 0.0013717000000000, 0.0005464800000000, -0.0004867400000000 ] - [ -0.0069784400000000, 0.0020732600000000, 0.0020093800000000 ] - [ -0.0006556600000000, -0.0012634400000000, 0.0000770800000000 ] - [ 0.0004550500000000, -0.0011813400000000, 0.0000633700000000 ] - [ 0.0012887400000000, 0.0002872200000000, 0.0005166400000000 ] - [ -0.0004947100000000, 0.0001717400000000, 0.0009016500000000 ] - [ -0.0032284900000000, 0.0006362200000000, 0.0043837600000000 ] - [ 0.0003885000000000, -0.0004614200000000, -0.0001686300000000 ] - [ 0.0003922000000000, -0.0026840900000000, -0.0011528300000000 ] - [ 0.0000369600000000, -0.0006823500000000, -0.0003123400000000 ] - [ 0.0040886100000000, -0.0095537000000000, -0.0062327900000000 ] - [ 0.0001851400000000, -0.0000955100000000, -0.0000603400000000 ] - [ 0.0239257100000000, 0.0397107100000000, -0.0197799800000000 ] - [ 0.0005098500000000, 0.0000650600000000, -0.0000628900000000 ] - [ -0.0002634400000000, 0.0008834600000000, -0.0000402800000000 ] - [ 0.0060020700000000, 0.0027020900000000, 0.0005010800000000 ] - [ 0.0001337800000000, -0.0008199700000000, 0.0001557500000000 ] - [ -0.0012906300000000, -0.0017603500000000, -0.0001524300000000 ] - [ -0.0020048500000000, -0.0018301500000000, 0.0009667800000000 ] - [ 0.0002072600000000, -0.0001609700000000, 0.0000676500000000 ] - [ 0.0002343800000000, 0.0021246100000000, -0.0002222000000000 ] - [ -0.0001498000000000, 0.0003167100000000, -0.0001655600000000 ] - [ 0.0012835900000000, 0.0044662400000000, 0.0009396300000000 ] - [ 0.0003178300000000, 0.0003205400000000, -0.0000252200000000 ] - [ 0.0008604900000000, -0.0015628300000000, 0.0004882600000000 ] - [ 0.0000202400000000, -0.0002076500000000, 0.0000623300000000 ] - [ 0.0000677900000000, 0.0001204400000000, -0.0004785000000000 ] - [ 0.0002372300000000, 0.0016387600000000, -0.0012495100000000 ] - [ 0.0002151600000000, -0.0002442500000000, -0.0005099300000000 ] - [ -0.0005767800000000, -0.0015960700000000, -0.0001745300000000 ] - [ 0.0009254300000000, -0.0018128700000000, 0.0014569300000000 ] - [ -0.0000751000000000, -0.0001637300000000, 0.0005089600000000 ] - [ -0.0013245600000000, 0.0012131800000000, -0.0006390200000000 ] - [ 0.0001897500000000, 0.0000499600000000, 0.0004713400000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0058486200000000, 0.0030969600000000, 0.0133408400000000 ] - [ 0.0001193500000000, -0.0000507900000000, 0.0000083100000000 ] - [ -0.0010086500000000, -0.0034151000000000, -0.0020225700000000 ] - [ 0.0000979900000000, -0.0002419700000000, 0.0000272800000000 ] - [ -0.0001903200000000, -0.0003818900000000, -0.0001372700000000 ] - [ 0.0005760500000000, -0.0005064300000000, -0.0010161600000000 ] - [ 0.0003999600000000, 0.0000038900000000, -0.0000451400000000 ] - [ -0.0015557900000000, 0.0001753600000000, 0.0013050100000000 ] - [ -0.0851154100000000, 0.3052224700000000, -0.1345709000000000 ] - [ 0.0003614400000000, 0.0006322600000000, 0.0005184500000000 ] - [ 0.0004010000000000, -0.0097557300000000, 0.0025545600000000 ] - [ 0.0004265300000000, 0.0002039500000000, 0.0006053800000000 ] - [ -0.0011136800000000, 0.0003016100000000, -0.0007534400000000 ] - [ 0.0012480900000000, -0.0006235600000000, -0.0012334600000000 ] - [ 0.0007149300000000, 0.0002981700000000, -0.0002410700000000 ] - [ -0.0026810600000000, -0.0006289300000000, -0.0006617700000000 ] - [ 0.0089382300000000, -0.0474023800000000, 0.0093398700000000 ] - [ 0.0009343700000000, 0.0001285400000000, -0.0001390300000000 ] - [ -0.0012383700000000, -0.0213682300000000, -0.0049009800000000 ] - [ 0.0008236600000000, -0.0000767800000000, -0.0001663600000000 ] - [ -0.0008553600000000, -0.0007595200000000, 0.0000471700000000 ] - [ 0.0000516000000000, -0.0018021700000000, 0.0003013200000000 ] - [ -0.0001414900000000, 0.0009134400000000, 0.0003407300000000 ] - [ -0.0020581200000000, 0.0030665300000000, -0.0004325600000000 ] - [ 0.0215821900000000, -0.0012788400000000, 0.0040673100000000 ] - [ -0.0003356400000000, 0.0001477500000000, -0.0002840500000000 ] - [ -0.0028597500000000, -0.0028337400000000, -0.0002200900000000 ] - [ -0.0001577200000000, -0.0001722800000000, -0.0002509900000000 ] - [ 0.0001939300000000, -0.0002141300000000, 0.0002812600000000 ] - [ 0.0034184900000000, -0.0019290300000000, -0.0006028900000000 ] - [ 0.0011259900000000, 0.0001452800000000, 0.0000966000000000 ] - [ -0.0119875800000000, -0.0008035100000000, 0.0013898100000000 ] - [ -0.0007536400000000, -0.0010417200000000, 0.0012367200000000 ] - [ 0.0000903300000000, -0.0000386400000000, 0.0003059200000000 ] - [ 0.0007850900000000, 0.0002273500000000, 0.0020799300000000 ] - [ -0.0000174400000000, 0.0000666400000000, 0.0002676500000000 ] - [ -0.0001967900000000, 0.0010216600000000, 0.0001097700000000 ] - [ 0.0003515800000000, 0.0006783500000000, 0.0005201400000000 ] - [ 0.0001844500000000, -0.0007794300000000, -0.0006377700000000 ] - [ -0.0000383200000000, -0.0004729100000000, -0.0004506000000000 ] - [ -0.0009934300000000, 0.0047613300000000, 0.0023165000000000 ] - [ -0.0008674700000000, 0.0004255300000000, -0.0000099000000000 ] - [ -0.0010071500000000, -0.0025957000000000, -0.0006663000000000 ] - [ -0.0008335400000000, -0.0000651700000000, -0.0001424700000000 ] - [ 0.0005448600000000, 0.0004613000000000, 0.0002586300000000 ] - [ 0.0014136800000000, 0.0001374700000000, 0.0003669400000000 ] - [ 0.0014885400000000, -0.0006271600000000, -0.0000911300000000 ] - [ 0.0006593800000000, -0.0001252300000000, 0.0002076000000000 ] - [ -0.0015064600000000, 0.0004686000000000, 0.0005844700000000 ] - [ 0.0009420200000000, -0.0004305600000000, 0.0000676400000000 ] - [ 0.0006493100000000, -0.0016680100000000, -0.0002499800000000 ] - [ -0.0000050500000000, -0.0007124700000000, -0.0000072200000000 ] - [ -0.0011499100000000, -0.0014167100000000, -0.0001141300000000 ] - [ 0.0002646500000000, -0.0006813800000000, -0.0000387100000000 ] - [ 0.0019533700000000, 0.0003773000000000, 0.0014094500000000 ] - [ -0.0002460200000000, -0.0003960200000000, 0.0000900300000000 ] - [ -0.0003499900000000, 0.0008778300000000, -0.0000856000000000 ] - [ 0.0016479900000000, 0.0008240100000000, 0.0016384200000000 ] - [ 0.0003568200000000, -0.0000969900000000, 0.0003477700000000 ] - [ -0.0000951500000000, -0.0001263300000000, -0.0000899600000000 ] - [ -0.0006999600000000, -0.0012828900000000, -0.0026258100000000 ] - [ 0.0000674800000000, 0.0003722700000000, -0.0001112200000000 ] - [ 0.0009304100000000, -0.0019359600000000, 0.0099389200000000 ] - [ 0.0000656400000000, 0.0004758800000000, -0.0000512500000000 ] - [ 0.0019160000000000, 0.0041544600000000, 0.0004761300000000 ] - [ -0.0002668400000000, 0.0006590800000000, -0.0000623200000000 ] - [ -0.0051710600000000, -0.0067283200000000, -0.0068381300000000 ] - [ 0.0000641500000000, 0.0000410800000000, -0.0002220700000000 ] - [ 0.0012036600000000, -0.0004704300000000, -0.0004137400000000 ] - [ -0.0016424000000000, 0.0004514400000000, -0.0011324700000000 ] - [ -0.0008006600000000, 0.0018464000000000, 0.0003679500000000 ] - [ 0.0001149300000000, 0.0009433300000000, 0.0002503200000000 ] - [ 0.0864039100000000, -0.1959786000000000, 0.0868945800000000 ] - [ -0.0003418400000000, -0.0004041000000000, 0.0007640300000000 ] - [ 0.0052208900000000, 0.0144857800000000, 0.0012778300000000 ] - [ -0.0004759600000000, 0.0001615300000000, 0.0007074000000000 ] - [ 0.0006467400000000, 0.0008365900000000, -0.0004843300000000 ] - [ -0.0025533600000000, 0.0019015300000000, 0.0011112800000000 ] - [ -0.0010162200000000, -0.0008033200000000, -0.0008354700000000 ] - [ 0.0073610100000000, -0.0023347000000000, -0.0033411900000000 ] - [ 0.0006286400000000, 0.0001211400000000, 0.0004263000000000 ] - [ -0.0004825100000000, 0.0000413800000000, 0.0004414700000000 ] - [ -0.0013154700000000, -0.0014202100000000, -0.0000133400000000 ] - [ 0.0004689200000000, -0.0013066600000000, -0.0003982600000000 ] - [ 0.0032273900000000, -0.0017925700000000, -0.0048638600000000 ] - [ -0.0003584800000000, -0.0006799600000000, -0.0003360200000000 ] - [ -0.0003614300000000, 0.0015468100000000, 0.0006389000000000 ] - [ -0.0000092700000000, -0.0004586600000000, -0.0001929700000000 ] - [ -0.0037633900000000, 0.0095531700000000, 0.0061102200000000 ] - [ 0.0001939300000000, 0.0000659100000000, -0.0001188700000000 ] - [ -0.0217901100000000, -0.0373901100000000, 0.0182546600000000 ] - [ -0.0001311700000000, -0.0000926200000000, -0.0001161500000000 ] - [ -0.0001159300000000, -0.0009119200000000, 0.0002194400000000 ] - [ -0.0063553900000000, -0.0027249400000000, -0.0003210200000000 ] - [ -0.0005078900000000, 0.0007935800000000, 0.0000242000000000 ] - [ 0.0009046000000000, 0.0017351600000000, 0.0003314800000000 ] - [ 0.0018428000000000, 0.0019592500000000, -0.0010290900000000 ] - [ -0.0003837300000000, 0.0002885300000000, -0.0001207700000000 ] - [ -0.0004548900000000, -0.0019645800000000, 0.0002010800000000 ] - [ -0.0000261700000000, -0.0001871300000000, 0.0001125900000000 ] - [ -0.0011568400000000, -0.0043508000000000, -0.0009267400000000 ] - [ -0.0001388300000000, -0.0001921100000000, 0.0000780100000000 ] - [ -0.0006772700000000, 0.0016898600000000, -0.0004295800000000 ] - [ 0.0001576700000000, 0.0003367100000000, -0.0000094500000000 ] - [ 0.0000471000000000, -0.0002443500000000, -0.0005273900000000 ] - [ -0.0001135000000000, -0.0017673900000000, 0.0002361000000000 ] - [ -0.0000983800000000, 0.0001207600000000, -0.0004958000000000 ] - [ 0.0006888100000000, 0.0014748200000000, -0.0008305700000000 ] - [ -0.0010469300000000, 0.0016809200000000, -0.0004574600000000 ] - [ -0.0000382400000000, 0.0000393100000000, 0.0004964900000000 ] - [ 0.0012075600000000, -0.0013257400000000, 0.0016425900000000 ] - [ -0.0003032700000000, -0.0001727700000000, 0.0005343500000000 ]- atom: 9 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0143799800000000, -0.0237737700000000, 0.0318142600000000 ] - [ 0.0000588100000000, -0.0001207500000000, 0.0000259300000000 ] - [ -0.0003455800000000, -0.0009513500000000, -0.0005420800000000 ] - [ 0.0000410100000000, -0.0001619400000000, 0.0000670100000000 ] - [ 0.0001012500000000, 0.0000537400000000, -0.0000974400000000 ] - [ 0.0000931000000000, -0.0001309100000000, -0.0004012600000000 ] - [ 0.0002543300000000, -0.0002575500000000, -0.0002913400000000 ] - [ -0.0007288100000000, -0.0001102100000000, 0.0003406300000000 ] - [ -0.0560934900000000, 0.1342212400000000, -0.1294129000000000 ] - [ 0.0003023800000000, 0.0005182800000000, 0.0005033600000000 ] - [ 0.0003300100000000, -0.0015169500000000, 0.0008629200000000 ] - [ 0.0003137300000000, 0.0004336000000000, 0.0005232900000000 ] - [ -0.0000068700000000, 0.0007878400000000, -0.0009885600000000 ] - [ 0.0000184100000000, 0.0003915100000000, -0.0006941800000000 ] - [ -0.0003830400000000, 0.0002878300000000, -0.0009924300000000 ] - [ -0.0013253100000000, -0.0002079500000000, -0.0007039700000000 ] - [ 0.0030313100000000, -0.0069746900000000, -0.0108093100000000 ] - [ 0.0008106000000000, -0.0000210000000000, -0.0001837000000000 ] - [ 0.0006091200000000, -0.0033154600000000, -0.0026480400000000 ] - [ 0.0007503200000000, -0.0000821800000000, -0.0001814700000000 ] - [ -0.0007536200000000, -0.0000035700000000, 0.0000216900000000 ] - [ -0.0004511400000000, -0.0004984700000000, 0.0001189700000000 ] - [ -0.0001330600000000, -0.0003790400000000, -0.0004106800000000 ] - [ -0.0013767000000000, 0.0008945900000000, -0.0000881600000000 ] - [ -0.0021802400000000, 0.0002927600000000, -0.0108645300000000 ] - [ -0.0002612900000000, 0.0000089000000000, -0.0003342000000000 ] - [ -0.0006233800000000, -0.0007799700000000, -0.0005653300000000 ] - [ -0.0003272500000000, -0.0000381000000000, -0.0002843500000000 ] - [ 0.0005824300000000, 0.0000304400000000, 0.0002098500000000 ] - [ 0.0013196300000000, -0.0005755200000000, -0.0001591300000000 ] - [ 0.0007107900000000, -0.0001179900000000, 0.0001296100000000 ] - [ -0.0044255600000000, -0.0009110900000000, -0.0006082900000000 ] - [ -0.0009599600000000, -0.0024898400000000, 0.0028062200000000 ] - [ 0.0000206100000000, 0.0000035500000000, 0.0002918900000000 ] - [ 0.0005605300000000, -0.0000467700000000, 0.0037520600000000 ] - [ -0.0000394600000000, 0.0000355800000000, 0.0002823700000000 ] - [ -0.0000610400000000, 0.0005674600000000, 0.0011841400000000 ] - [ 0.0000698800000000, 0.0003045900000000, 0.0002853200000000 ] - [ 0.0000389300000000, 0.0000077000000000, -0.0000961000000000 ] - [ 0.0000280400000000, -0.0000526200000000, -0.0001498800000000 ] - [ -0.0011366300000000, 0.0032479400000000, 0.0047075000000000 ] - [ -0.0008845300000000, 0.0002252900000000, -0.0000372500000000 ] - [ -0.0009545600000000, -0.0010156000000000, 0.0003945600000000 ] - [ -0.0008796100000000, 0.0000891800000000, -0.0000869000000000 ] - [ 0.0004006600000000, -0.0001852700000000, 0.0005898000000000 ] - [ 0.0012716900000000, 0.0001027900000000, 0.0003673300000000 ] - [ 0.0009385600000000, 0.0000083600000000, 0.0005861500000000 ] - [ 0.0010867700000000, 0.0001356300000000, 0.0003210200000000 ] - [ -0.0026979400000000, -0.0007018600000000, 0.0012817800000000 ] - [ 0.0007041200000000, -0.0004780900000000, 0.0000486400000000 ] - [ 0.0001499800000000, -0.0005631300000000, 0.0001883500000000 ] - [ 0.0002725700000000, -0.0005497100000000, -0.0000537400000000 ] - [ -0.0010555900000000, -0.0002613700000000, 0.0010565400000000 ] - [ 0.0000111300000000, -0.0005693300000000, 0.0000678400000000 ] - [ 0.0012164100000000, -0.0006362200000000, 0.0018424000000000 ] - [ -0.0001997400000000, -0.0004948700000000, 0.0001165100000000 ] - [ -0.0006631500000000, 0.0005028300000000, 0.0001170800000000 ] - [ 0.0011325600000000, 0.0003662700000000, 0.0001880900000000 ] - [ 0.0000203100000000, 0.0003328300000000, 0.0001476300000000 ] - [ 0.0002343100000000, 0.0001818000000000, 0.0000677000000000 ] - [ -0.0000709700000000, 0.0005015100000000, -0.0000150900000000 ] - [ 0.0000672900000000, 0.0004244900000000, -0.0000598500000000 ] - [ 0.0014675100000000, -0.0026402000000000, 0.0092994600000000 ] - [ 0.0000229200000000, 0.0004343300000000, -0.0000663100000000 ] - [ 0.0010075800000000, 0.0019005500000000, -0.0029780700000000 ] - [ -0.0000821200000000, 0.0004315200000000, -0.0001627800000000 ] - [ -0.0040735700000000, -0.0032315600000000, -0.0083024700000000 ] - [ 0.0000797000000000, 0.0002759300000000, -0.0002060200000000 ] - [ 0.0024241400000000, 0.0001630100000000, -0.0019135800000000 ] - [ -0.0011612300000000, 0.0003300400000000, -0.0009394300000000 ] - [ 0.0001367300000000, 0.0004377300000000, -0.0001704500000000 ] - [ -0.0003101100000000, 0.0003955200000000, -0.0000378900000000 ] - [ 0.0515494800000000, -0.0833624600000000, 0.1056118700000000 ] - [ -0.0002982900000000, -0.0001847300000000, 0.0008196900000000 ] - [ 0.0002168900000000, 0.0025750400000000, 0.0009253200000000 ] - [ -0.0002542500000000, -0.0000551300000000, 0.0007426200000000 ] - [ -0.0000784000000000, -0.0005103400000000, -0.0005444100000000 ] - [ -0.0008388000000000, 0.0002301300000000, -0.0000468700000000 ] - [ -0.0002269500000000, 0.0005616700000000, -0.0002673800000000 ] - [ 0.0032831400000000, -0.0006060100000000, -0.0017938200000000 ] - [ 0.0000460100000000, -0.0006037100000000, -0.0001948900000000 ] - [ -0.0001716300000000, -0.0003665500000000, 0.0001097500000000 ] - [ -0.0011934900000000, -0.0005637500000000, -0.0005258500000000 ] - [ 0.0001897000000000, -0.0007578200000000, -0.0002511200000000 ] - [ 0.0063982500000000, 0.0001343900000000, -0.0088011900000000 ] - [ -0.0001873200000000, -0.0006016600000000, -0.0003095000000000 ] - [ -0.0001567200000000, 0.0001960200000000, -0.0005500900000000 ] - [ -0.0000519000000000, -0.0005362400000000, -0.0002571700000000 ] - [ -0.0004949500000000, 0.0016790700000000, 0.0017511000000000 ] - [ 0.0000791000000000, 0.0000044800000000, -0.0001013500000000 ] - [ -0.0092713000000000, -0.0133826300000000, 0.0102465200000000 ] - [ 0.0000627200000000, -0.0000227700000000, -0.0000924700000000 ] - [ -0.0002988400000000, -0.0000696800000000, 0.0006900000000000 ] - [ -0.0014538800000000, -0.0005127400000000, 0.0006812300000000 ] - [ -0.0001965800000000, 0.0000048800000000, 0.0002046500000000 ] - [ -0.0000779700000000, 0.0006333300000000, 0.0004303300000000 ] - [ 0.0006176700000000, 0.0007232200000000, 0.0001026200000000 ] - [ -0.0002124200000000, 0.0001258700000000, -0.0000041100000000 ] - [ -0.0011245100000000, 0.0002756000000000, 0.0024973100000000 ] - [ -0.0000950900000000, -0.0000186400000000, 0.0000885700000000 ] - [ 0.0021504300000000, 0.0010619600000000, 0.0029340500000000 ] - [ 0.0000625000000000, -0.0000277200000000, 0.0000122000000000 ] - [ -0.0002222800000000, 0.0007390400000000, 0.0001163300000000 ] - [ 0.0001279800000000, 0.0001669800000000, -0.0000047700000000 ] - [ -0.0001020800000000, -0.0000878700000000, -0.0005700300000000 ] - [ 0.0016695700000000, -0.0012712200000000, -0.0019624900000000 ] - [ 0.0000007900000000, -0.0000301400000000, -0.0005278400000000 ] - [ 0.0004695200000000, 0.0007255500000000, -0.0006846400000000 ] - [ -0.0008842100000000, 0.0013757900000000, 0.0004404000000000 ] - [ -0.0000440400000000, -0.0000296700000000, 0.0005352600000000 ] - [ -0.0013797000000000, -0.0020001200000000, -0.0000291200000000 ] - [ -0.0000327300000000, -0.0000936200000000, 0.0005085600000000 ]- atom: 9 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0140067400000000, 0.0230283200000000, -0.0310033400000000 ] - [ -0.0000429700000000, -0.0001702500000000, 0.0000752600000000 ] - [ 0.0003650700000000, 0.0006625900000000, 0.0006288600000000 ] - [ -0.0000254100000000, -0.0001297800000000, 0.0000321700000000 ] - [ -0.0001226000000000, -0.0003465100000000, 0.0000007700000000 ] - [ -0.0001116700000000, -0.0001606100000000, 0.0003129700000000 ] - [ -0.0002780400000000, -0.0000319900000000, 0.0001975400000000 ] - [ 0.0007115200000000, -0.0001825200000000, -0.0004281100000000 ] - [ 0.0547504000000000, -0.1306633100000000, 0.1296212600000000 ] - [ 0.0002358600000000, 0.0003216900000000, 0.0006373900000000 ] - [ 0.0002127200000000, 0.0023651700000000, 0.0002786800000000 ] - [ 0.0002252400000000, 0.0004061100000000, 0.0006175500000000 ] - [ -0.0005372500000000, 0.0000460800000000, -0.0001504800000000 ] - [ -0.0005749300000000, 0.0004625900000000, -0.0004390200000000 ] - [ -0.0001625300000000, 0.0005518400000000, -0.0001495900000000 ] - [ 0.0007772800000000, 0.0010424200000000, -0.0004376800000000 ] - [ -0.0015599600000000, 0.0071305000000000, 0.0104134900000000 ] - [ 0.0006686500000000, 0.0000366500000000, -0.0000785200000000 ] - [ 0.0008823900000000, 0.0033093100000000, 0.0023799100000000 ] - [ 0.0007310400000000, 0.0001019500000000, -0.0000797500000000 ] - [ -0.0007279300000000, 0.0000219600000000, 0.0002402700000000 ] - [ -0.0010374600000000, 0.0005218100000000, 0.0001442500000000 ] - [ -0.0013511200000000, 0.0003971700000000, 0.0006748400000000 ] - [ -0.0001134700000000, -0.0008853200000000, 0.0003552100000000 ] - [ 0.0010556300000000, -0.0001964000000000, 0.0103239000000000 ] - [ -0.0006756200000000, -0.0000229800000000, -0.0001213200000000 ] - [ -0.0003087300000000, 0.0007649900000000, 0.0001052100000000 ] - [ -0.0006098000000000, 0.0000242000000000, -0.0001709900000000 ] - [ 0.0003470000000000, -0.0000453000000000, 0.0002458200000000 ] - [ -0.0004006400000000, 0.0005763900000000, 0.0006232100000000 ] - [ 0.0002165600000000, 0.0001037100000000, 0.0003268200000000 ] - [ 0.0053218400000000, 0.0008920500000000, 0.0010855500000000 ] - [ 0.0008372600000000, 0.0025102300000000, -0.0022539700000000 ] - [ -0.0001431900000000, 0.0000375700000000, 0.0002502600000000 ] - [ -0.0006821900000000, 0.0001022100000000, -0.0032264800000000 ] - [ -0.0000826800000000, 0.0000062900000000, 0.0002588500000000 ] - [ 0.0001757100000000, -0.0005303500000000, -0.0017297500000000 ] - [ 0.0000512600000000, -0.0002619200000000, -0.0008327600000000 ] - [ 0.0000806400000000, 0.0000337100000000, -0.0004471100000000 ] - [ 0.0000917400000000, 0.0000957500000000, -0.0003915800000000 ] - [ -0.0007539300000000, -0.0028658800000000, -0.0049045600000000 ] - [ -0.0010037800000000, 0.0001461700000000, -0.0001450200000000 ] - [ -0.0009266400000000, 0.0013831300000000, -0.0005733300000000 ] - [ -0.0010083400000000, 0.0002830200000000, -0.0000946600000000 ] - [ 0.0014821000000000, 0.0005530600000000, -0.0004110400000000 ] - [ 0.0006141500000000, 0.0002695200000000, -0.0001881900000000 ] - [ 0.0009447600000000, 0.0003720500000000, -0.0004115100000000 ] - [ 0.0008001100000000, 0.0002377000000000, -0.0001401100000000 ] - [ 0.0029163600000000, -0.0003713700000000, -0.0013574000000000 ] - [ -0.0004778800000000, -0.0005915400000000, -0.0001230100000000 ] - [ 0.0000790800000000, -0.0005038000000000, -0.0002646200000000 ] - [ -0.0000455900000000, -0.0005201900000000, -0.0000196800000000 ] - [ 0.0008318300000000, -0.0008134900000000, -0.0009809200000000 ] - [ -0.0002439800000000, -0.0005008900000000, 0.0000053100000000 ] - [ -0.0014514600000000, -0.0004238700000000, -0.0017775600000000 ] - [ -0.0000328800000000, -0.0005756000000000, -0.0000434700000000 ] - [ 0.0007900800000000, 0.0002904600000000, 0.0001810200000000 ] - [ -0.0010068700000000, 0.0004269600000000, 0.0000955500000000 ] - [ 0.0001115200000000, 0.0004614200000000, 0.0001528000000000 ] - [ -0.0001026100000000, 0.0006121300000000, 0.0002325100000000 ] - [ -0.0000514500000000, 0.0002906400000000, -0.0002678100000000 ] - [ -0.0002028600000000, 0.0003688700000000, -0.0002450600000000 ] - [ -0.0015895600000000, 0.0034831800000000, -0.0096644200000000 ] - [ -0.0001584400000000, 0.0003593600000000, -0.0002399200000000 ] - [ -0.0007999000000000, -0.0011604400000000, 0.0027629900000000 ] - [ 0.0003090900000000, 0.0003039400000000, -0.0000365700000000 ] - [ 0.0043015600000000, 0.0039342200000000, 0.0081303300000000 ] - [ 0.0001462800000000, 0.0004599900000000, 0.0000059500000000 ] - [ -0.0026349500000000, 0.0005789000000000, 0.0021180300000000 ] - [ 0.0009475500000000, 0.0004026600000000, 0.0011462600000000 ] - [ -0.0003562600000000, 0.0002918800000000, 0.0003729400000000 ] - [ 0.0000925300000000, 0.0003380100000000, 0.0002378600000000 ] - [ -0.0501716000000000, 0.0802700900000000, -0.1038055900000000 ] - [ -0.0000458200000000, -0.0000770000000000, 0.0005157500000000 ] - [ -0.0005558700000000, -0.0028364400000000, 0.0004315100000000 ] - [ -0.0000922800000000, -0.0002079500000000, 0.0005915900000000 ] - [ 0.0004336900000000, 0.0002522200000000, -0.0007977300000000 ] - [ 0.0012045100000000, -0.0005074900000000, -0.0013108100000000 ] - [ 0.0005881700000000, -0.0008281300000000, -0.0010738000000000 ] - [ -0.0029148100000000, 0.0003521100000000, 0.0004373900000000 ] - [ -0.0000727300000000, -0.0005299400000000, 0.0006992900000000 ] - [ 0.0001460200000000, -0.0007712600000000, 0.0003917800000000 ] - [ 0.0011754800000000, -0.0005761100000000, 0.0010324600000000 ] - [ -0.0002166800000000, -0.0003790500000000, 0.0007527000000000 ] - [ -0.0063293600000000, -0.0012585400000000, 0.0082818100000000 ] - [ 0.0002192100000000, -0.0005385400000000, -0.0001959200000000 ] - [ 0.0001827500000000, -0.0013458400000000, 0.0000545500000000 ] - [ 0.0000829700000000, -0.0006043400000000, -0.0002482600000000 ] - [ 0.0008695200000000, -0.0017364700000000, -0.0019779400000000 ] - [ 0.0002945200000000, -0.0000317000000000, -0.0000830000000000 ] - [ 0.0097776200000000, 0.0136842100000000, -0.0103042200000000 ] - [ 0.0003120400000000, -0.0000049600000000, -0.0000919300000000 ] - [ -0.0000670700000000, 0.0000456500000000, -0.0005055100000000 ] - [ 0.0011412200000000, 0.0005019400000000, -0.0004794600000000 ] - [ -0.0001703100000000, -0.0000326400000000, -0.0000206400000000 ] - [ -0.0002916100000000, -0.0006601000000000, -0.0002417400000000 ] - [ -0.0008052400000000, -0.0005970500000000, -0.0001561100000000 ] - [ 0.0000373000000000, 0.0000015300000000, -0.0000546900000000 ] - [ 0.0008839800000000, -0.0001041200000000, -0.0025256100000000 ] - [ -0.0000803300000000, 0.0001478100000000, -0.0001476000000000 ] - [ -0.0020811200000000, -0.0009954800000000, -0.0029505000000000 ] - [ 0.0001199600000000, 0.0001566800000000, 0.0000454600000000 ] - [ 0.0003998400000000, -0.0006166900000000, -0.0000606100000000 ] - [ 0.0000533500000000, -0.0000386500000000, 0.0000634600000000 ] - [ 0.0002209800000000, -0.0000360900000000, -0.0004337600000000 ] - [ -0.0015790100000000, 0.0011570800000000, 0.0009500600000000 ] - [ 0.0001170400000000, -0.0000943900000000, -0.0004756800000000 ] - [ -0.0003589900000000, -0.0008523100000000, -0.0003230700000000 ] - [ 0.0007658100000000, -0.0014972300000000, 0.0005738700000000 ] - [ -0.0000685800000000, -0.0000940200000000, 0.0004672700000000 ] - [ 0.0012522500000000, 0.0018680000000000, 0.0010389600000000 ] - [ -0.0000794100000000, -0.0000310100000000, 0.0004940300000000 ]- atom: 17 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0088984900000000, 0.0064819100000000, 0.0061968800000000 ] - [ 0.0007261700000000, -0.0001562200000000, -0.0003812300000000 ] - [ -0.0011340600000000, 0.0001374400000000, 0.0001341900000000 ] - [ 0.0006016400000000, -0.0001054200000000, -0.0002894700000000 ] - [ 0.0006244000000000, 0.0001437700000000, 0.0004906900000000 ] - [ 0.0004898500000000, -0.0004452100000000, -0.0014152300000000 ] - [ 0.0003595900000000, -0.0004224600000000, 0.0000429500000000 ] - [ 0.0000329400000000, 0.0003869700000000, -0.0008321200000000 ] - [ -0.0110625300000000, -0.0078587100000000, 0.0028736800000000 ] - [ 0.0011427300000000, 0.0002066200000000, 0.0006896900000000 ] - [ -0.0023621500000000, 0.0023611000000000, 0.0004677700000000 ] - [ 0.0010524100000000, 0.0003142700000000, 0.0006289200000000 ] - [ 0.0022239200000000, 0.0009988100000000, 0.0000015700000000 ] - [ 0.0012837600000000, -0.0009204800000000, -0.0012416300000000 ] - [ -0.0000558000000000, 0.0002881000000000, -0.0006254300000000 ] - [ 0.0000191200000000, 0.0011917200000000, -0.0003213000000000 ] - [ -0.1601918800000000, -0.1143281100000000, -0.0084419200000000 ] - [ 0.0016530600000000, 0.0001804100000000, -0.0001501400000000 ] - [ -0.0002122500000000, 0.0002425000000000, -0.0001467800000000 ] - [ 0.0014890000000000, 0.0002653700000000, -0.0001230300000000 ] - [ 0.0001826300000000, 0.0007953900000000, 0.0004791800000000 ] - [ 0.0006357400000000, -0.0014153100000000, 0.0000291300000000 ] - [ 0.0001821800000000, -0.0009957100000000, 0.0000355200000000 ] - [ 0.0006363400000000, 0.0024699800000000, -0.0009101800000000 ] - [ 0.0320963500000000, 0.0267100700000000, -0.0001348000000000 ] - [ 0.0011325300000000, -0.0001466700000000, -0.0004701500000000 ] - [ -0.0028768200000000, 0.0001342100000000, 0.0002292300000000 ] - [ 0.0007495000000000, 0.0000578000000000, -0.0004214200000000 ] - [ 0.0025359600000000, 0.0003564800000000, 0.0000833100000000 ] - [ 0.0059321000000000, -0.0025027800000000, -0.0013177600000000 ] - [ 0.0017361500000000, -0.0001670800000000, 0.0001066300000000 ] - [ -0.0002880700000000, 0.0024529200000000, -0.0005213500000000 ] - [ -0.0016634700000000, -0.0004122000000000, -0.0000868600000000 ] - [ 0.0005984600000000, -0.0000902100000000, 0.0003255100000000 ] - [ -0.0009169000000000, 0.0002465300000000, 0.0004919300000000 ] - [ 0.0004884800000000, 0.0000390600000000, 0.0002461900000000 ] - [ 0.0007069200000000, -0.0005742300000000, -0.0002149500000000 ] - [ 0.0007257500000000, 0.0001947200000000, 0.0002497400000000 ] - [ 0.0002231100000000, 0.0002798100000000, -0.0003401200000000 ] - [ 0.0002847000000000, -0.0001648200000000, -0.0003904000000000 ] - [ -0.0023299100000000, 0.0003249100000000, 0.0006403500000000 ] - [ -0.0003144300000000, 0.0002324000000000, -0.0000362800000000 ] - [ -0.0020293300000000, 0.0004717300000000, -0.0001589000000000 ] - [ -0.0003698300000000, 0.0001362500000000, -0.0000642800000000 ] - [ 0.0014697700000000, -0.0000248600000000, -0.0002292000000000 ] - [ 0.0014608600000000, -0.0002527600000000, 0.0003450100000000 ] - [ 0.0011521000000000, 0.0005187400000000, 0.0000220800000000 ] - [ 0.0012064300000000, 0.0004382400000000, 0.0000256000000000 ] - [ -0.0001670000000000, -0.0013575000000000, -0.0013467700000000 ] - [ 0.0017013200000000, -0.0005890700000000, 0.0000051900000000 ] - [ -0.0002066400000000, 0.0004885900000000, -0.0006281600000000 ] - [ 0.0008651000000000, -0.0005049200000000, -0.0000852500000000 ] - [ -0.0017555000000000, 0.0002194000000000, 0.0011863600000000 ] - [ 0.0012494600000000, -0.0006745900000000, -0.0001750600000000 ] - [ -0.0015793800000000, -0.0008548300000000, 0.0005099300000000 ] - [ 0.0011135600000000, -0.0005047400000000, -0.0001726800000000 ] - [ 0.0006749500000000, 0.0001035800000000, 0.0003814300000000 ] - [ 0.0019954900000000, 0.0001964300000000, 0.0025234100000000 ] - [ 0.0005023500000000, 0.0007064600000000, 0.0001176500000000 ] - [ 0.0002440400000000, 0.0002413000000000, 0.0004017000000000 ] - [ -0.0029743300000000, -0.0004090400000000, -0.0014185900000000 ] - [ 0.0008536200000000, 0.0005361600000000, 0.0002835200000000 ] - [ -0.0012990100000000, 0.0002142000000000, -0.0005270700000000 ] - [ 0.0007249900000000, 0.0005493000000000, 0.0002075300000000 ] - [ 0.0041146900000000, -0.0001946400000000, -0.0001968600000000 ] - [ -0.0016755300000000, 0.0003703900000000, -0.0001542700000000 ] - [ 0.0025530400000000, 0.0003132700000000, -0.0004345800000000 ] - [ -0.0015113200000000, 0.0002437300000000, -0.0000649900000000 ] - [ -0.0014399100000000, 0.0007864300000000, 0.0000383400000000 ] - [ -0.0026071000000000, 0.0012447500000000, -0.0010126600000000 ] - [ -0.0006943200000000, -0.0002386400000000, 0.0003574600000000 ] - [ -0.0009533800000000, 0.0002296600000000, 0.0002491100000000 ] - [ 0.1199865300000000, 0.1062391900000000, 0.0252202300000000 ] - [ -0.0021066500000000, 0.0000238800000000, 0.0010960000000000 ] - [ 0.0030168800000000, -0.0013141100000000, 0.0004303500000000 ] - [ -0.0017567300000000, -0.0001420900000000, 0.0009656700000000 ] - [ -0.0026592600000000, -0.0018466000000000, -0.0016251300000000 ] - [ -0.0027349500000000, 0.0012432000000000, 0.0020451300000000 ] - [ -0.0012696800000000, 0.0008666900000000, -0.0006641900000000 ] - [ -0.0001188900000000, -0.0029674300000000, 0.0003522600000000 ] - [ -0.0001592800000000, -0.0010568400000000, 0.0003214900000000 ] - [ -0.0009300200000000, -0.0001453800000000, 0.0004779900000000 ] - [ 0.0001760000000000, 0.0001232400000000, 0.0003577100000000 ] - [ -0.0007700000000000, -0.0009761700000000, 0.0003960600000000 ] - [ 0.0039387500000000, 0.0013167000000000, -0.0007694700000000 ] - [ -0.0012035900000000, -0.0005586900000000, -0.0002380900000000 ] - [ 0.0013223400000000, -0.0010593300000000, -0.0000980000000000 ] - [ -0.0008489500000000, -0.0006164300000000, -0.0001679200000000 ] - [ 0.0229144300000000, -0.0216344500000000, -0.0184809400000000 ] - [ -0.0011386900000000, 0.0000340400000000, -0.0003103800000000 ] - [ 0.0029053100000000, -0.0003638500000000, 0.0001916500000000 ] - [ -0.0008047900000000, -0.0000089800000000, -0.0002863400000000 ] - [ -0.0018984100000000, 0.0008056100000000, 0.0002711500000000 ] - [ -0.0086681100000000, 0.0001645600000000, -0.0021929600000000 ] - [ -0.0011689400000000, -0.0006171500000000, 0.0000892700000000 ] - [ 0.0005198500000000, 0.0004397500000000, -0.0003690000000000 ] - [ 0.0041266000000000, 0.0019241100000000, -0.0018313300000000 ] - [ -0.0008792200000000, 0.0002411000000000, -0.0001740700000000 ] - [ 0.0005503200000000, 0.0005535800000000, 0.0001591600000000 ] - [ -0.0008281300000000, -0.0001369300000000, -0.0001294400000000 ] - [ 0.0007424900000000, 0.0008246600000000, -0.0008991800000000 ] - [ -0.0008264800000000, 0.0000707400000000, 0.0001811400000000 ] - [ 0.0005010200000000, -0.0004027000000000, -0.0001186900000000 ] - [ -0.0005243600000000, 0.0000988900000000, 0.0000833100000000 ] - [ -0.0007606000000000, 0.0000425600000000, -0.0005529500000000 ] - [ 0.0007400100000000, -0.0002063600000000, 0.0011031400000000 ] - [ -0.0005541400000000, -0.0001623700000000, -0.0005462800000000 ] - [ 0.0007555100000000, 0.0000259800000000, -0.0002933900000000 ] - [ 0.0006744900000000, 0.0011926300000000, -0.0007204600000000 ] - [ -0.0008918100000000, -0.0001140400000000, 0.0006187600000000 ] - [ 0.0004438700000000, -0.0010837100000000, -0.0000567800000000 ] - [ -0.0006706800000000, -0.0000081900000000, 0.0005490100000000 ]- atom: 17 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0088082200000000, -0.0068242800000000, -0.0061339300000000 ] - [ -0.0007143200000000, -0.0001404800000000, 0.0004614400000000 ] - [ 0.0011458600000000, -0.0004374800000000, -0.0000615700000000 ] - [ -0.0005890900000000, -0.0001916400000000, 0.0003690100000000 ] - [ -0.0006391700000000, -0.0004419700000000, -0.0005749900000000 ] - [ -0.0005074200000000, 0.0001479700000000, 0.0013337000000000 ] - [ -0.0003712600000000, 0.0001265700000000, -0.0001247800000000 ] - [ -0.0000514900000000, -0.0006807800000000, 0.0007514000000000 ] - [ 0.0115787200000000, 0.0084602900000000, -0.0017200000000000 ] - [ -0.0005784800000000, 0.0006174000000000, 0.0004651900000000 ] - [ 0.0029426800000000, -0.0015342300000000, 0.0006800800000000 ] - [ -0.0004882500000000, 0.0005066200000000, 0.0005267700000000 ] - [ -0.0028047000000000, -0.0001784900000000, -0.0011600700000000 ] - [ -0.0018523200000000, 0.0017347600000000, 0.0000847700000000 ] - [ -0.0005087000000000, 0.0005362900000000, -0.0005279500000000 ] - [ -0.0005919600000000, -0.0003669800000000, -0.0008318300000000 ] - [ 0.1607225100000000, 0.1109747000000000, 0.0077403300000000 ] - [ -0.0001424900000000, -0.0001408700000000, -0.0001088800000000 ] - [ 0.0017220600000000, -0.0002227700000000, -0.0001166100000000 ] - [ 0.0000210100000000, -0.0002233800000000, -0.0001355300000000 ] - [ -0.0016976400000000, -0.0007605400000000, -0.0002221800000000 ] - [ -0.0021472400000000, 0.0014529900000000, 0.0002302400000000 ] - [ -0.0016958500000000, 0.0010429500000000, 0.0002241100000000 ] - [ -0.0021429800000000, -0.0024110100000000, 0.0011643400000000 ] - [ -0.0322746700000000, -0.0261003600000000, -0.0004074600000000 ] - [ -0.0020846300000000, 0.0001366100000000, 0.0000253900000000 ] - [ 0.0019177400000000, -0.0001464800000000, -0.0006720500000000 ] - [ -0.0017020400000000, -0.0000696400000000, -0.0000216500000000 ] - [ -0.0015936900000000, -0.0003698300000000, 0.0003611700000000 ] - [ -0.0049377600000000, 0.0024663100000000, 0.0017590200000000 ] - [ -0.0007887500000000, 0.0001573000000000, 0.0003386200000000 ] - [ 0.0012138800000000, -0.0024507000000000, 0.0009688500000000 ] - [ 0.0015578100000000, 0.0004553600000000, 0.0006461800000000 ] - [ -0.0007180100000000, 0.0001247800000000, 0.0002339600000000 ] - [ 0.0008043000000000, -0.0002149000000000, 0.0000682300000000 ] - [ -0.0006077200000000, -0.0000027300000000, 0.0003121500000000 ] - [ -0.0005923700000000, 0.0006148000000000, -0.0003449000000000 ] - [ -0.0006087500000000, -0.0001576000000000, -0.0008052700000000 ] - [ -0.0001044400000000, -0.0002451500000000, -0.0002170500000000 ] - [ -0.0001701100000000, 0.0001999500000000, -0.0001677400000000 ] - [ 0.0004484100000000, 0.0000663500000000, -0.0008274500000000 ] - [ -0.0015748200000000, 0.0001616300000000, -0.0001441000000000 ] - [ 0.0001479800000000, -0.0000747100000000, -0.0000200400000000 ] - [ -0.0015200100000000, 0.0002560500000000, -0.0001167500000000 ] - [ 0.0004170700000000, 0.0004210800000000, 0.0004124600000000 ] - [ 0.0004239700000000, 0.0006431900000000, -0.0001653700000000 ] - [ 0.0007365100000000, -0.0001283200000000, 0.0001579500000000 ] - [ 0.0006776400000000, -0.0000452200000000, 0.0001538000000000 ] - [ 0.0003844300000000, 0.0002887600000000, 0.0013007200000000 ] - [ -0.0014958100000000, -0.0004864600000000, -0.0000614100000000 ] - [ 0.0004222200000000, -0.0015725200000000, 0.0005747200000000 ] - [ -0.0006603900000000, -0.0005706100000000, 0.0000288500000000 ] - [ 0.0015630400000000, -0.0012976200000000, -0.0011392600000000 ] - [ -0.0014595900000000, -0.0004017200000000, 0.0002308200000000 ] - [ 0.0013841900000000, -0.0002206400000000, -0.0004565800000000 ] - [ -0.0013250900000000, -0.0005706300000000, 0.0002284000000000 ] - [ -0.0005304600000000, 0.0006797900000000, -0.0000614300000000 ] - [ -0.0018470500000000, 0.0005838600000000, -0.0021967400000000 ] - [ -0.0003560300000000, 0.0000704300000000, 0.0002034200000000 ] - [ -0.0001021000000000, 0.0005401500000000, -0.0000837600000000 ] - [ 0.0028410400000000, 0.0011985200000000, 0.0011258900000000 ] - [ -0.0010023800000000, 0.0002453000000000, -0.0006040000000000 ] - [ 0.0011557200000000, 0.0005646600000000, 0.0002162100000000 ] - [ -0.0008727900000000, 0.0002330500000000, -0.0005276400000000 ] - [ -0.0039349600000000, 0.0009172700000000, -0.0000035400000000 ] - [ 0.0018977900000000, 0.0003650900000000, -0.0000408700000000 ] - [ -0.0023530900000000, 0.0004232800000000, 0.0002352800000000 ] - [ 0.0017321800000000, 0.0004892600000000, -0.0001317200000000 ] - [ 0.0012146200000000, -0.0000554700000000, 0.0001607400000000 ] - [ 0.0023889200000000, -0.0005074900000000, 0.0012063400000000 ] - [ 0.0004708400000000, 0.0009798600000000, -0.0001636600000000 ] - [ 0.0007397000000000, 0.0005055000000000, -0.0000513500000000 ] - [ -0.1196890400000000, -0.1027702500000000, -0.0229226300000000 ] - [ 0.0017582200000000, -0.0002869700000000, 0.0002379900000000 ] - [ -0.0033478400000000, 0.0010539800000000, 0.0009122400000000 ] - [ 0.0014057200000000, -0.0001198200000000, 0.0003671300000000 ] - [ 0.0030190000000000, 0.0015939600000000, 0.0002974000000000 ] - [ 0.0030954800000000, -0.0014997500000000, -0.0033720600000000 ] - [ 0.0016212300000000, -0.0011377700000000, -0.0006701300000000 ] - [ 0.0004872100000000, 0.0026854700000000, -0.0016856900000000 ] - [ 0.0001267500000000, -0.0000776600000000, 0.0001834300000000 ] - [ 0.0009066700000000, -0.0009909700000000, 0.0000283900000000 ] - [ -0.0002092900000000, -0.0012654600000000, 0.0001480100000000 ] - [ 0.0007471900000000, -0.0001628200000000, 0.0001108300000000 ] - [ -0.0039532600000000, -0.0024661400000000, 0.0002807500000000 ] - [ 0.0012298300000000, -0.0005818500000000, -0.0002689400000000 ] - [ -0.0013077700000000, -0.0000774500000000, -0.0004094700000000 ] - [ 0.0008756600000000, -0.0005242200000000, -0.0003382900000000 ] - [ -0.0225953500000000, 0.0210080300000000, 0.0178381500000000 ] - [ 0.0015141200000000, -0.0000614700000000, 0.0001281800000000 ] - [ -0.0024904200000000, 0.0003763200000000, -0.0003976400000000 ] - [ 0.0011775600000000, -0.0000188300000000, 0.0001041400000000 ] - [ 0.0015301600000000, -0.0008376700000000, -0.0000904900000000 ] - [ 0.0082545100000000, -0.0001815700000000, 0.0023568500000000 ] - [ 0.0007968000000000, 0.0005959200000000, 0.0000930300000000 ] - [ -0.0008860100000000, -0.0004644200000000, 0.0005499900000000 ] - [ -0.0044596900000000, -0.0019414600000000, 0.0018909300000000 ] - [ 0.0007013400000000, -0.0001118800000000, 0.0001148400000000 ] - [ -0.0007416500000000, -0.0004257600000000, -0.0002140300000000 ] - [ 0.0006501500000000, 0.0002644700000000, 0.0000703200000000 ] - [ -0.0006336200000000, -0.0006651300000000, 0.0008896000000000 ] - [ 0.0010035400000000, 0.0000584000000000, -0.0001216800000000 ] - [ -0.0003300000000000, 0.0005354000000000, 0.0001765900000000 ] - [ 0.0007030100000000, 0.0000299100000000, -0.0000245600000000 ] - [ 0.0008761500000000, -0.0001675100000000, -0.0004507500000000 ] - [ -0.0006168100000000, 0.0000829300000000, -0.0021002200000000 ] - [ 0.0006686600000000, 0.0000391800000000, -0.0004574700000000 ] - [ -0.0006369500000000, -0.0001501600000000, -0.0007111300000000 ] - [ -0.0007760300000000, -0.0013190300000000, 0.0017263800000000 ] - [ 0.0007781400000000, -0.0000095500000000, 0.0003842200000000 ] - [ -0.0005486800000000, 0.0009629400000000, 0.0010605400000000 ] - [ 0.0005550600000000, -0.0001164300000000, 0.0004548000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0102700200000000, 0.0089465500000000, 0.0188161800000000 ] - [ 0.0001417800000000, -0.0002307100000000, -0.0001206400000000 ] - [ -0.0005788000000000, 0.0026839200000000, -0.0018349000000000 ] - [ 0.0001409800000000, -0.0000682800000000, -0.0000733600000000 ] - [ 0.0003755600000000, -0.0004032200000000, 0.0001803200000000 ] - [ -0.0014060700000000, -0.0008726500000000, 0.0013634800000000 ] - [ -0.0001594700000000, 0.0000972700000000, -0.0000010300000000 ] - [ 0.0006341300000000, 0.0004292800000000, -0.0009739900000000 ] - [ 0.0093248300000000, 0.0477649600000000, -0.0064639500000000 ] - [ 0.0004823900000000, 0.0002530800000000, 0.0006308500000000 ] - [ -0.0016948400000000, 0.0217707200000000, -0.0026713900000000 ] - [ 0.0003836600000000, 0.0004564000000000, 0.0005694100000000 ] - [ 0.0005894700000000, -0.0005280400000000, -0.0002707800000000 ] - [ -0.0012647600000000, -0.0026871100000000, -0.0015553000000000 ] - [ -0.0004357600000000, 0.0011401100000000, -0.0006490500000000 ] - [ 0.0006313300000000, 0.0021847900000000, -0.0001470600000000 ] - [ -0.1168632500000000, -0.3386981200000000, -0.0870024000000000 ] - [ 0.0008712200000000, -0.0001320400000000, -0.0001543000000000 ] - [ 0.0009451900000000, 0.0111500500000000, 0.0008524000000000 ] - [ 0.0009545600000000, 0.0003162100000000, -0.0001004800000000 ] - [ 0.0003094100000000, 0.0001654900000000, 0.0004395100000000 ] - [ -0.0031533700000000, 0.0008935400000000, 0.0002732700000000 ] - [ -0.0014914500000000, 0.0001622400000000, 0.0000286600000000 ] - [ 0.0007254300000000, 0.0008860400000000, -0.0004675100000000 ] - [ 0.0196833900000000, 0.0005122600000000, -0.0002507300000000 ] - [ -0.0002991700000000, -0.0001916900000000, -0.0002915900000000 ] - [ -0.0031275600000000, 0.0028747800000000, -0.0003286000000000 ] - [ -0.0001679100000000, 0.0001632200000000, -0.0002398300000000 ] - [ 0.0013338200000000, -0.0000722200000000, 0.0000977100000000 ] - [ -0.0107627500000000, 0.0001987600000000, 0.0022115700000000 ] - [ 0.0003346400000000, 0.0001404400000000, 0.0002905300000000 ] - [ 0.0040939900000000, 0.0021110400000000, -0.0006198300000000 ] - [ 0.0004775100000000, -0.0029216100000000, 0.0025679800000000 ] - [ 0.0000384200000000, -0.0001822500000000, 0.0004099100000000 ] - [ -0.0006466000000000, 0.0019194000000000, -0.0005495300000000 ] - [ 0.0000696100000000, 0.0001349600000000, 0.0002230800000000 ] - [ -0.0004763600000000, -0.0004241700000000, -0.0004400700000000 ] - [ 0.0005756200000000, -0.0002753600000000, 0.0000304700000000 ] - [ 0.0004568600000000, 0.0005309800000000, -0.0001095300000000 ] - [ -0.0001457400000000, 0.0003917300000000, -0.0001142900000000 ] - [ -0.0017969700000000, 0.0007706200000000, 0.0006270900000000 ] - [ -0.0007900300000000, 0.0002236700000000, -0.0000739500000000 ] - [ -0.0003511900000000, 0.0021047500000000, 0.0011487100000000 ] - [ -0.0008916800000000, 0.0002416800000000, -0.0000345800000000 ] - [ 0.0009911500000000, -0.0014884300000000, 0.0001707800000000 ] - [ 0.0008562900000000, -0.0011166900000000, 0.0005156600000000 ] - [ 0.0009800200000000, 0.0014713700000000, -0.0001105500000000 ] - [ 0.0012783100000000, 0.0011885200000000, -0.0000386100000000 ] - [ -0.0021511100000000, -0.0019479900000000, 0.0006695000000000 ] - [ 0.0009705400000000, -0.0008909600000000, 0.0000822500000000 ] - [ 0.0006292600000000, 0.0009468200000000, -0.0004946900000000 ] - [ 0.0000323500000000, -0.0002608200000000, -0.0000600000000000 ] - [ 0.0018214800000000, -0.0006484400000000, 0.0011356700000000 ] - [ -0.0001450100000000, -0.0006199700000000, 0.0001040600000000 ] - [ -0.0016294700000000, 0.0001572600000000, -0.0002504600000000 ] - [ 0.0003908000000000, -0.0004636400000000, -0.0000532200000000 ] - [ -0.0003768700000000, -0.0000157700000000, 0.0001254900000000 ] - [ 0.0020878900000000, -0.0003801200000000, 0.0017248500000000 ] - [ 0.0004549500000000, 0.0009103300000000, 0.0000902000000000 ] - [ -0.0003889000000000, 0.0010207700000000, -0.0002331900000000 ] - [ 0.0006182300000000, 0.0025375400000000, 0.0099767700000000 ] - [ 0.0000421900000000, 0.0003533100000000, -0.0000652200000000 ] - [ -0.0005390200000000, 0.0020702700000000, -0.0025033900000000 ] - [ 0.0000984100000000, 0.0004858100000000, -0.0001036600000000 ] - [ -0.0051667500000000, -0.0020188900000000, -0.0055671700000000 ] - [ 0.0000008700000000, 0.0004018000000000, -0.0002909400000000 ] - [ 0.0025251900000000, -0.0011110300000000, 0.0017075300000000 ] - [ -0.0003685900000000, 0.0002830600000000, 0.0000106500000000 ] - [ 0.0016252600000000, 0.0025671600000000, -0.0003164400000000 ] - [ -0.0018772400000000, 0.0024712300000000, -0.0011529800000000 ] - [ -0.0011037300000000, -0.0014257300000000, 0.0004252800000000 ] - [ 0.0001755900000000, -0.0010560500000000, 0.0003366100000000 ] - [ 0.1016323100000000, 0.2326665600000000, 0.0485134500000000 ] - [ -0.0004492000000000, 0.0001716900000000, 0.0007813400000000 ] - [ 0.0053772600000000, -0.0147033300000000, 0.0061994400000000 ] - [ -0.0005720400000000, -0.0004124700000000, 0.0007611300000000 ] - [ -0.0012214900000000, 0.0003879500000000, -0.0010156600000000 ] - [ 0.0073668100000000, 0.0033749900000000, -0.0026647700000000 ] - [ 0.0005368400000000, -0.0009688100000000, -0.0006866600000000 ] - [ -0.0030502900000000, -0.0024125100000000, 0.0007775400000000 ] - [ -0.0011631800000000, -0.0003379000000000, -0.0000024400000000 ] - [ 0.0004211100000000, -0.0004279800000000, -0.0004007400000000 ] - [ 0.0008713600000000, -0.0009043500000000, 0.0005452600000000 ] - [ -0.0005799100000000, -0.0008377800000000, 0.0005359600000000 ] - [ 0.0045283900000000, 0.0044776600000000, -0.0054499900000000 ] - [ -0.0003876100000000, -0.0003902300000000, -0.0003039500000000 ] - [ -0.0001756000000000, -0.0032381600000000, 0.0003264400000000 ] - [ -0.0000977800000000, -0.0007504000000000, -0.0002135700000000 ] - [ -0.0157373100000000, 0.0253196800000000, 0.0191862700000000 ] - [ -0.0002127900000000, 0.0000957800000000, -0.0001313000000000 ] - [ -0.0043579700000000, -0.0111630600000000, 0.0033543000000000 ] - [ 0.0001351200000000, -0.0001110600000000, -0.0001434500000000 ] - [ -0.0001446300000000, 0.0009340200000000, 0.0002309100000000 ] - [ -0.0062201700000000, 0.0016980400000000, -0.0006199800000000 ] - [ -0.0006665500000000, -0.0009003300000000, 0.0000103700000000 ] - [ 0.0010442100000000, -0.0017482600000000, 0.0004177100000000 ] - [ 0.0017208500000000, 0.0033344700000000, -0.0012287200000000 ] - [ -0.0000291000000000, 0.0002410000000000, 0.0000845900000000 ] - [ 0.0018690300000000, -0.0017096400000000, -0.0009428800000000 ] - [ -0.0004562600000000, -0.0001255800000000, -0.0001126500000000 ] - [ 0.0008753700000000, 0.0036815800000000, 0.0004828200000000 ] - [ -0.0001564700000000, 0.0003636500000000, 0.0000855100000000 ] - [ -0.0004894600000000, -0.0015870300000000, -0.0005115200000000 ] - [ 0.0000840600000000, -0.0002343600000000, -0.0000072600000000 ] - [ 0.0000115600000000, 0.0001298000000000, -0.0005322900000000 ] - [ -0.0002357600000000, 0.0016559400000000, 0.0001703000000000 ] - [ -0.0001373800000000, -0.0002494100000000, -0.0005024000000000 ] - [ 0.0006037200000000, -0.0015329600000000, -0.0008546800000000 ] - [ 0.0018529700000000, 0.0012005500000000, 0.0019653300000000 ] - [ -0.0003554600000000, 0.0000423600000000, 0.0005587000000000 ] - [ -0.0011213300000000, -0.0022103600000000, -0.0002149500000000 ] - [ -0.0000854100000000, -0.0001719000000000, 0.0004952600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0100653200000000, -0.0092338500000000, -0.0184573200000000 ] - [ -0.0001214100000000, -0.0000630000000000, 0.0002236500000000 ] - [ 0.0006060000000000, -0.0029738300000000, 0.0019516100000000 ] - [ -0.0001217900000000, -0.0002259900000000, 0.0001771200000000 ] - [ -0.0003955900000000, 0.0001125700000000, -0.0002826800000000 ] - [ 0.0013809000000000, 0.0005805200000000, -0.0014635600000000 ] - [ 0.0001368900000000, -0.0003934400000000, -0.0001009000000000 ] - [ -0.0006507400000000, -0.0007249400000000, 0.0008686400000000 ] - [ -0.0086140500000000, -0.0457303300000000, 0.0073922900000000 ] - [ 0.0000713600000000, 0.0005811800000000, 0.0005134400000000 ] - [ 0.0022205100000000, -0.0211016800000000, 0.0037957900000000 ] - [ 0.0001687600000000, 0.0003772900000000, 0.0005753600000000 ] - [ -0.0011392800000000, 0.0013693500000000, -0.0008724300000000 ] - [ 0.0007070900000000, 0.0035216300000000, 0.0004124300000000 ] - [ -0.0001220500000000, -0.0003092300000000, -0.0004966400000000 ] - [ -0.0011799100000000, -0.0013516900000000, -0.0009975600000000 ] - [ 0.1087991400000000, 0.3275106000000000, 0.0844793400000000 ] - [ 0.0006288100000000, 0.0001604000000000, -0.0001065000000000 ] - [ 0.0005574000000000, -0.0110925000000000, -0.0011020100000000 ] - [ 0.0005464200000000, -0.0002872100000000, -0.0001606100000000 ] - [ -0.0018130100000000, -0.0001322100000000, -0.0001792800000000 ] - [ 0.0016479100000000, -0.0008583900000000, -0.0000120700000000 ] - [ -0.0000127300000000, -0.0001378800000000, 0.0002311500000000 ] - [ -0.0022240800000000, -0.0008673900000000, 0.0007320300000000 ] - [ -0.0205739600000000, -0.0006748000000000, -0.0001999300000000 ] - [ -0.0006361700000000, 0.0001769300000000, -0.0001625200000000 ] - [ 0.0022112300000000, -0.0028853200000000, -0.0001286000000000 ] - [ -0.0007718700000000, -0.0001781200000000, -0.0002142900000000 ] - [ -0.0003958400000000, 0.0000600100000000, 0.0003559600000000 ] - [ 0.0117055900000000, -0.0002195600000000, -0.0017649300000000 ] - [ 0.0005989400000000, -0.0001579500000000, 0.0001646900000000 ] - [ -0.0031292600000000, -0.0021380400000000, 0.0010775600000000 ] - [ -0.0005902800000000, 0.0029617600000000, -0.0020100100000000 ] - [ -0.0001562000000000, 0.0002208500000000, 0.0001386800000000 ] - [ 0.0005265600000000, -0.0018826400000000, 0.0010964700000000 ] - [ -0.0001867100000000, -0.0000971300000000, 0.0003260400000000 ] - [ 0.0005951400000000, 0.0004581800000000, -0.0001099700000000 ] - [ -0.0004595400000000, 0.0003143800000000, -0.0005802100000000 ] - [ -0.0003409800000000, -0.0004887600000000, -0.0004372900000000 ] - [ 0.0002628000000000, -0.0003505300000000, -0.0004322300000000 ] - [ -0.0000896400000000, -0.0004046300000000, -0.0008113600000000 ] - [ -0.0010931900000000, 0.0001523600000000, -0.0001083700000000 ] - [ -0.0015267000000000, -0.0017120700000000, -0.0013210800000000 ] - [ -0.0009917300000000, 0.0001353500000000, -0.0001471000000000 ] - [ 0.0008914200000000, 0.0018690600000000, 0.0000128100000000 ] - [ 0.0010259400000000, 0.0014939500000000, -0.0003342600000000 ] - [ 0.0008993700000000, -0.0010930700000000, 0.0002911100000000 ] - [ 0.0006055700000000, -0.0008119100000000, 0.0002209600000000 ] - [ 0.0023705200000000, 0.0008680900000000, -0.0007346500000000 ] - [ -0.0007597400000000, -0.0001830000000000, -0.0001425000000000 ] - [ -0.0004176000000000, -0.0020202300000000, 0.0004378300000000 ] - [ 0.0001825600000000, -0.0008140300000000, 0.0000003400000000 ] - [ -0.0020245800000000, -0.0004197400000000, -0.0010748100000000 ] - [ -0.0000700600000000, -0.0004545100000000, -0.0000440000000000 ] - [ 0.0014118900000000, -0.0012370300000000, 0.0003053900000000 ] - [ -0.0006047700000000, -0.0006127000000000, 0.0001120700000000 ] - [ 0.0005093000000000, 0.0008066500000000, 0.0001876100000000 ] - [ -0.0019583000000000, 0.0011714000000000, -0.0014202600000000 ] - [ -0.0003257500000000, -0.0001198100000000, 0.0002215600000000 ] - [ 0.0005231300000000, -0.0002289600000000, 0.0005464000000000 ] - [ -0.0007106600000000, -0.0017214500000000, -0.0102653500000000 ] - [ -0.0001759200000000, 0.0004385700000000, -0.0002472400000000 ] - [ 0.0004051400000000, -0.0012715100000000, 0.0021609300000000 ] - [ -0.0002303000000000, 0.0003055000000000, -0.0002090100000000 ] - [ 0.0053429100000000, 0.0027261000000000, 0.0053398700000000 ] - [ 0.0002172300000000, 0.0003330400000000, 0.0000934400000000 ] - [ -0.0022932400000000, 0.0018641100000000, -0.0018855200000000 ] - [ 0.0005850400000000, 0.0004540500000000, -0.0002084400000000 ] - [ -0.0018507300000000, -0.0018346600000000, 0.0005175900000000 ] - [ 0.0016647100000000, -0.0017365300000000, 0.0013531400000000 ] - [ 0.0008927100000000, 0.0021607300000000, -0.0002310300000000 ] - [ -0.0003932800000000, 0.0017910700000000, -0.0001403400000000 ] - [ -0.0939339200000000, -0.2211354400000000, -0.0435946400000000 ] - [ 0.0000967300000000, -0.0004359500000000, 0.0005509500000000 ] - [ -0.0057554800000000, 0.0144130500000000, -0.0048641000000000 ] - [ 0.0002201700000000, 0.0001465200000000, 0.0005696600000000 ] - [ 0.0015751600000000, -0.0006641000000000, -0.0003172700000000 ] - [ -0.0069735100000000, -0.0036418100000000, 0.0013179800000000 ] - [ -0.0001777400000000, 0.0007084000000000, -0.0006448800000000 ] - [ 0.0033920700000000, 0.0021548200000000, -0.0021051800000000 ] - [ 0.0011309800000000, -0.0008042700000000, 0.0005032900000000 ] - [ -0.0004479900000000, -0.0007125000000000, 0.0009020400000000 ] - [ -0.0008964400000000, -0.0002282700000000, -0.0000413600000000 ] - [ 0.0005497700000000, -0.0002982000000000, -0.0000317700000000 ] - [ -0.0044852300000000, -0.0055990500000000, 0.0049536800000000 ] - [ 0.0004173900000000, -0.0007517100000000, -0.0002000200000000 ] - [ 0.0002061900000000, 0.0020894800000000, -0.0008391300000000 ] - [ 0.0001266500000000, -0.0003917000000000, -0.0002909700000000 ] - [ 0.0173278200000000, -0.0266688000000000, -0.0208002700000000 ] - [ 0.0005834200000000, -0.0001247200000000, -0.0000525000000000 ] - [ 0.0046657900000000, 0.0110756200000000, -0.0035091200000000 ] - [ 0.0002371700000000, 0.0000831700000000, -0.0000401600000000 ] - [ -0.0002289400000000, -0.0009581900000000, -0.0000467700000000 ] - [ 0.0058771500000000, -0.0017239100000000, 0.0008097600000000 ] - [ 0.0002990500000000, 0.0008723000000000, 0.0001746200000000 ] - [ -0.0014217000000000, 0.0017151000000000, -0.0002319600000000 ] - [ -0.0020159200000000, -0.0032721700000000, 0.0012424000000000 ] - [ -0.0001481300000000, -0.0001138000000000, -0.0001437000000000 ] - [ -0.0020324900000000, 0.0018363600000000, 0.0008729000000000 ] - [ 0.0002778800000000, 0.0002546300000000, 0.0000529100000000 ] - [ -0.0007111700000000, -0.0035354000000000, -0.0004377200000000 ] - [ 0.0003359000000000, -0.0002344700000000, -0.0000261700000000 ] - [ 0.0006718900000000, 0.0017115500000000, 0.0005752900000000 ] - [ 0.0000945000000000, 0.0003616300000000, 0.0000670700000000 ] - [ 0.0001028300000000, -0.0002545600000000, -0.0004722200000000 ] - [ 0.0003516000000000, -0.0017709800000000, -0.0011823000000000 ] - [ 0.0002531500000000, 0.0001238200000000, -0.0005021500000000 ] - [ -0.0004912800000000, 0.0014008200000000, -0.0001495700000000 ] - [ -0.0019665000000000, -0.0013351700000000, -0.0009561300000000 ] - [ 0.0002416300000000, -0.0001683200000000, 0.0004455600000000 ] - [ 0.0009981200000000, 0.0020853200000000, 0.0012163600000000 ] - [ -0.0000284600000000, 0.0000474600000000, 0.0005091300000000 ]- atom: 17 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0139846500000000, 0.0294182800000000, 0.0179831700000000 ] - [ -0.0000145400000000, -0.0001634700000000, -0.0000094400000000 ] - [ -0.0002359600000000, -0.0001951700000000, -0.0011203300000000 ] - [ -0.0000151900000000, -0.0001469400000000, 0.0000202100000000 ] - [ 0.0001812600000000, -0.0000541800000000, -0.0001774700000000 ] - [ -0.0006564700000000, -0.0002387600000000, 0.0005422300000000 ] - [ -0.0000112900000000, -0.0001862200000000, 0.0000461500000000 ] - [ -0.0000005700000000, -0.0001032200000000, 0.0000079900000000 ] - [ 0.0003537100000000, -0.0089927900000000, -0.0099952300000000 ] - [ 0.0002690500000000, 0.0004186100000000, 0.0005411300000000 ] - [ 0.0000213100000000, 0.0051770600000000, -0.0019176300000000 ] - [ 0.0002406400000000, 0.0004433700000000, 0.0005444300000000 ] - [ -0.0000781000000000, 0.0006153800000000, -0.0011389700000000 ] - [ -0.0009914400000000, -0.0001424500000000, -0.0008127100000000 ] - [ -0.0003091300000000, 0.0003272200000000, -0.0007024100000000 ] - [ -0.0002825000000000, 0.0005714300000000, -0.0006084400000000 ] - [ -0.0069079900000000, -0.0846396900000000, -0.0901946500000000 ] - [ 0.0007278900000000, -0.0000177800000000, -0.0001657500000000 ] - [ 0.0007437400000000, 0.0009658400000000, -0.0006037000000000 ] - [ 0.0007552200000000, 0.0000368700000000, -0.0001579600000000 ] - [ -0.0008539500000000, 0.0001040300000000, -0.0002177000000000 ] - [ -0.0017991900000000, 0.0006154900000000, 0.0001483700000000 ] - [ -0.0004121200000000, -0.0002912600000000, -0.0002143200000000 ] - [ -0.0008683400000000, -0.0001507400000000, 0.0001557900000000 ] - [ -0.0074020200000000, -0.0033071700000000, -0.0117708500000000 ] - [ -0.0004897500000000, -0.0000180500000000, -0.0002828800000000 ] - [ -0.0009767100000000, 0.0005425500000000, -0.0006264700000000 ] - [ -0.0005058700000000, -0.0000015100000000, -0.0002516200000000 ] - [ 0.0005479400000000, 0.0000389400000000, 0.0001605700000000 ] - [ -0.0037325900000000, 0.0008111500000000, 0.0001393800000000 ] - [ 0.0005932800000000, -0.0000714400000000, 0.0002174800000000 ] - [ 0.0004992400000000, 0.0000419800000000, 0.0000723300000000 ] - [ 0.0004506800000000, -0.0028085700000000, 0.0058658800000000 ] - [ -0.0000857500000000, -0.0000333400000000, 0.0003369900000000 ] - [ -0.0003467600000000, 0.0007967200000000, 0.0007923600000000 ] - [ -0.0000599800000000, 0.0000300200000000, 0.0002938300000000 ] - [ -0.0003011400000000, 0.0002883000000000, 0.0009927600000000 ] - [ 0.0000877600000000, 0.0000369800000000, -0.0000422500000000 ] - [ 0.0001588300000000, 0.0002516700000000, 0.0000615100000000 ] - [ -0.0000016300000000, 0.0001808700000000, -0.0000480300000000 ] - [ -0.0014689100000000, 0.0013216300000000, 0.0023349100000000 ] - [ -0.0009344200000000, 0.0001994700000000, -0.0000591000000000 ] - [ -0.0001737400000000, 0.0017109000000000, 0.0017808700000000 ] - [ -0.0009673900000000, 0.0002045500000000, -0.0000552000000000 ] - [ 0.0004568000000000, -0.0003663900000000, 0.0007814900000000 ] - [ 0.0011987900000000, 0.0000414100000000, 0.0003988900000000 ] - [ 0.0008480600000000, 0.0002378300000000, 0.0002062800000000 ] - [ 0.0011961600000000, 0.0004258600000000, 0.0002403500000000 ] - [ -0.0028806800000000, -0.0004373500000000, 0.0013277600000000 ] - [ 0.0004358800000000, -0.0005679000000000, 0.0000125700000000 ] - [ 0.0001370800000000, -0.0007422200000000, 0.0003419100000000 ] - [ 0.0001853100000000, -0.0004497600000000, -0.0000219200000000 ] - [ 0.0011703600000000, -0.0001611500000000, 0.0018697800000000 ] - [ -0.0002350200000000, -0.0005471500000000, 0.0001181200000000 ] - [ -0.0007347100000000, -0.0004477500000000, 0.0006112200000000 ] - [ -0.0000795400000000, -0.0005262600000000, 0.0000660500000000 ] - [ -0.0007344200000000, 0.0005127100000000, 0.0000349000000000 ] - [ 0.0007691900000000, 0.0002203600000000, -0.0002179200000000 ] - [ -0.0000247500000000, 0.0002918400000000, 0.0002227700000000 ] - [ 0.0002265800000000, 0.0003640000000000, -0.0000266600000000 ] - [ 0.0018820400000000, 0.0045214500000000, 0.0119872500000000 ] - [ -0.0000849400000000, 0.0003917500000000, -0.0001354500000000 ] - [ 0.0001709400000000, 0.0009718300000000, 0.0003658000000000 ] - [ -0.0000422000000000, 0.0004160800000000, -0.0001254100000000 ] - [ -0.0057136600000000, -0.0009981500000000, -0.0089562700000000 ] - [ 0.0002230900000000, 0.0003726800000000, -0.0002114700000000 ] - [ 0.0008976300000000, -0.0012370000000000, -0.0015039300000000 ] - [ 0.0001013500000000, 0.0003446300000000, -0.0001396800000000 ] - [ 0.0027789400000000, 0.0004939700000000, -0.0016132300000000 ] - [ -0.0007746600000000, 0.0005287400000000, -0.0005157100000000 ] - [ 0.0001546700000000, 0.0002964300000000, -0.0004078000000000 ] - [ -0.0002829000000000, -0.0000407500000000, -0.0001158100000000 ] - [ 0.0214689700000000, 0.0412724300000000, 0.0696109500000000 ] - [ -0.0001073100000000, -0.0000911000000000, 0.0007694100000000 ] - [ 0.0014747500000000, -0.0020824800000000, 0.0034249600000000 ] - [ -0.0001106700000000, -0.0001747000000000, 0.0007311100000000 ] - [ 0.0000563500000000, -0.0004761100000000, -0.0003187200000000 ] - [ 0.0029930700000000, 0.0005666700000000, -0.0017046800000000 ] - [ 0.0000006200000000, 0.0002614300000000, -0.0007466900000000 ] - [ -0.0001497800000000, -0.0001083100000000, -0.0006556300000000 ] - [ -0.0008417300000000, -0.0005287600000000, -0.0005085300000000 ] - [ 0.0002002300000000, -0.0005448700000000, -0.0002994300000000 ] - [ 0.0000136400000000, -0.0005658800000000, -0.0000859500000000 ] - [ -0.0000809200000000, -0.0005843300000000, 0.0000450500000000 ] - [ 0.0046618000000000, 0.0006735700000000, -0.0083751100000000 ] - [ -0.0000512900000000, -0.0005385200000000, -0.0002907300000000 ] - [ -0.0002146000000000, -0.0012508700000000, -0.0006983700000000 ] - [ 0.0000107600000000, -0.0005985500000000, -0.0002698500000000 ] - [ -0.0158876200000000, 0.0194177400000000, 0.0189560900000000 ] - [ 0.0001963600000000, 0.0000002400000000, -0.0000801200000000 ] - [ 0.0007055500000000, -0.0000785200000000, -0.0007573100000000 ] - [ 0.0001725900000000, -0.0000244400000000, -0.0000983400000000 ] - [ -0.0001763600000000, -0.0000365500000000, 0.0006405300000000 ] - [ 0.0000903500000000, 0.0001967500000000, 0.0009239100000000 ] - [ -0.0001084700000000, 0.0000616900000000, 0.0002685600000000 ] - [ 0.0000207800000000, -0.0005012900000000, 0.0006545900000000 ] - [ -0.0026657100000000, -0.0014801800000000, 0.0027632500000000 ] - [ -0.0000228900000000, 0.0000860400000000, 0.0000997200000000 ] - [ 0.0003595500000000, -0.0006504900000000, 0.0005184100000000 ] - [ -0.0001250400000000, 0.0000383400000000, 0.0000352700000000 ] - [ -0.0004153500000000, 0.0002430600000000, 0.0008725400000000 ] - [ 0.0001734900000000, 0.0001348000000000, -0.0000211000000000 ] - [ -0.0002485400000000, -0.0002920800000000, -0.0000388400000000 ] - [ 0.0001801100000000, -0.0000136500000000, -0.0000181800000000 ] - [ 0.0000152500000000, -0.0000452400000000, -0.0005764800000000 ] - [ 0.0008062400000000, 0.0008741400000000, -0.0016770400000000 ] - [ 0.0000560400000000, -0.0000774600000000, -0.0005230500000000 ] - [ 0.0003295100000000, -0.0006327600000000, -0.0007907800000000 ] - [ -0.0018468900000000, 0.0015888600000000, 0.0000638700000000 ] - [ 0.0000580200000000, -0.0000321300000000, 0.0005210800000000 ] - [ -0.0009724200000000, -0.0014041300000000, 0.0006523100000000 ] - [ 0.0000043700000000, -0.0000986300000000, 0.0005242300000000 ]- atom: 17 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0137111600000000, -0.0292252200000000, -0.0174861300000000 ] - [ 0.0000334000000000, -0.0001302800000000, 0.0001675200000000 ] - [ 0.0002604100000000, -0.0001069600000000, 0.0012717000000000 ] - [ 0.0000350200000000, -0.0001464400000000, 0.0001387000000000 ] - [ -0.0002074900000000, -0.0002396800000000, 0.0000218200000000 ] - [ 0.0006363000000000, -0.0000513700000000, -0.0006971800000000 ] - [ -0.0000121400000000, -0.0001061100000000, -0.0002050900000000 ] - [ -0.0000250500000000, -0.0001928700000000, -0.0001596900000000 ] - [ 0.0001633800000000, 0.0096681700000000, 0.0111791300000000 ] - [ 0.0003008900000000, 0.0004533800000000, 0.0005830200000000 ] - [ 0.0005609500000000, -0.0043450900000000, 0.0030506200000000 ] - [ 0.0003324100000000, 0.0004256900000000, 0.0005812200000000 ] - [ -0.0005037400000000, 0.0002556900000000, 0.0000153800000000 ] - [ 0.0004098900000000, 0.0010277600000000, -0.0003056300000000 ] - [ -0.0002636700000000, 0.0005446700000000, -0.0004203900000000 ] - [ -0.0002994400000000, 0.0002897100000000, -0.0005183300000000 ] - [ 0.0081060100000000, 0.0857910200000000, 0.0905901400000000 ] - [ 0.0007988500000000, 0.0000179100000000, -0.0001163800000000 ] - [ 0.0007886300000000, -0.0010024200000000, 0.0003109000000000 ] - [ 0.0007719700000000, -0.0000363000000000, -0.0001242100000000 ] - [ -0.0006805400000000, -0.0001064100000000, 0.0004998000000000 ] - [ 0.0002684100000000, -0.0006116500000000, 0.0001347900000000 ] - [ -0.0011240700000000, 0.0003001400000000, 0.0004995000000000 ] - [ -0.0006764500000000, 0.0001396300000000, 0.0001337000000000 ] - [ 0.0063658600000000, 0.0031813200000000, 0.0113241900000000 ] - [ -0.0003971500000000, 0.0000026100000000, -0.0001735200000000 ] - [ 0.0001022000000000, -0.0005663700000000, 0.0001649300000000 ] - [ -0.0003795700000000, -0.0000147100000000, -0.0002056900000000 ] - [ 0.0003273500000000, -0.0000551600000000, 0.0002968800000000 ] - [ 0.0046184300000000, -0.0008339900000000, 0.0003258700000000 ] - [ 0.0002832700000000, 0.0000547700000000, 0.0002413700000000 ] - [ 0.0003576900000000, -0.0000797800000000, 0.0003946900000000 ] - [ -0.0005598000000000, 0.0028833500000000, -0.0053507100000000 ] - [ -0.0000212500000000, 0.0001040300000000, 0.0001876000000000 ] - [ 0.0002459800000000, -0.0007256100000000, -0.0002629700000000 ] - [ -0.0000472600000000, 0.0000393900000000, 0.0002323300000000 ] - [ 0.0004019600000000, -0.0002145300000000, -0.0015233400000000 ] - [ 0.0000147500000000, 0.0000360100000000, -0.0004858400000000 ] - [ -0.0000558700000000, -0.0001853200000000, -0.0005914200000000 ] - [ 0.0001064700000000, -0.0001104100000000, -0.0004784400000000 ] - [ -0.0003932500000000, -0.0009684800000000, -0.0025323600000000 ] - [ -0.0009342600000000, 0.0001382600000000, -0.0001442500000000 ] - [ -0.0016938800000000, -0.0013986500000000, -0.0019921900000000 ] - [ -0.0009006200000000, 0.0001331100000000, -0.0001481000000000 ] - [ 0.0014046900000000, 0.0007059000000000, -0.0005810800000000 ] - [ 0.0006669600000000, 0.0003010900000000, -0.0001991900000000 ] - [ 0.0010172700000000, 0.0000970100000000, -0.0000059000000000 ] - [ 0.0006692700000000, -0.0000912600000000, -0.0000369900000000 ] - [ 0.0031164500000000, -0.0006321700000000, -0.0013742300000000 ] - [ -0.0002009300000000, -0.0005058700000000, -0.0000596800000000 ] - [ 0.0001027600000000, -0.0003369900000000, -0.0003873400000000 ] - [ 0.0000538100000000, -0.0006262300000000, -0.0000234400000000 ] - [ -0.0014237000000000, -0.0009216700000000, -0.0018284800000000 ] - [ -0.0000090700000000, -0.0005280900000000, -0.0000726500000000 ] - [ 0.0005034500000000, -0.0006239000000000, -0.0005643500000000 ] - [ -0.0001668700000000, -0.0005498500000000, -0.0000203600000000 ] - [ 0.0008305200000000, 0.0002851900000000, 0.0002381300000000 ] - [ -0.0006771100000000, 0.0005777800000000, 0.0004780200000000 ] - [ 0.0001226500000000, 0.0005032700000000, 0.0000526700000000 ] - [ -0.0001253200000000, 0.0004303100000000, 0.0003013400000000 ] - [ -0.0019694300000000, -0.0037738200000000, -0.0123872700000000 ] - [ -0.0000194700000000, 0.0004038200000000, -0.0001434400000000 ] - [ -0.0002611500000000, -0.0001762600000000, -0.0006192100000000 ] - [ -0.0000602200000000, 0.0003809500000000, -0.0001530000000000 ] - [ 0.0059424700000000, 0.0017652700000000, 0.0087821800000000 ] - [ -0.0000149800000000, 0.0003646200000000, 0.0000174300000000 ] - [ -0.0007147300000000, 0.0019546300000000, 0.0012893700000000 ] - [ 0.0001071800000000, 0.0003928200000000, -0.0000567500000000 ] - [ -0.0029739200000000, 0.0002412300000000, 0.0018122300000000 ] - [ 0.0005835000000000, 0.0001991800000000, 0.0007174800000000 ] - [ -0.0003532600000000, 0.0004466900000000, 0.0006055800000000 ] - [ 0.0000826700000000, 0.0007817600000000, 0.0003100400000000 ] - [ -0.0220567800000000, -0.0418762000000000, -0.0689283100000000 ] - [ -0.0002405400000000, -0.0001757900000000, 0.0005533700000000 ] - [ -0.0018301100000000, 0.0018431100000000, -0.0020888600000000 ] - [ -0.0002402500000000, -0.0000911600000000, 0.0005905100000000 ] - [ 0.0003097400000000, 0.0002130500000000, -0.0010090000000000 ] - [ -0.0026383600000000, -0.0008479800000000, 0.0003684000000000 ] - [ 0.0003613700000000, -0.0005334700000000, -0.0005787300000000 ] - [ 0.0005286400000000, -0.0001395600000000, -0.0006836100000000 ] - [ 0.0008220700000000, -0.0006047200000000, 0.0010138700000000 ] - [ -0.0002293300000000, -0.0005931400000000, 0.0008020300000000 ] - [ -0.0000445600000000, -0.0005760900000000, 0.0005887200000000 ] - [ 0.0000549600000000, -0.0005514100000000, 0.0004541500000000 ] - [ -0.0046294200000000, -0.0018310400000000, 0.0078645000000000 ] - [ 0.0000858800000000, -0.0006023800000000, -0.0002133900000000 ] - [ 0.0002417400000000, 0.0001196900000000, 0.0002016000000000 ] - [ 0.0000220000000000, -0.0005411500000000, -0.0002344800000000 ] - [ 0.0168507200000000, -0.0203365400000000, -0.0193789300000000 ] - [ 0.0001844500000000, -0.0000282900000000, -0.0001021700000000 ] - [ -0.0003110800000000, 0.0001061400000000, 0.0005458500000000 ] - [ 0.0002069300000000, -0.0000033900000000, -0.0000838000000000 ] - [ -0.0001951500000000, 0.0000076000000000, -0.0004582200000000 ] - [ -0.0004045700000000, -0.0002304500000000, -0.0007205500000000 ] - [ -0.0002635000000000, -0.0000850600000000, -0.0000866900000000 ] - [ -0.0003988500000000, 0.0004792600000000, -0.0004685300000000 ] - [ 0.0024292500000000, 0.0015607300000000, -0.0028140800000000 ] - [ -0.0001531200000000, 0.0000414800000000, -0.0001544600000000 ] - [ -0.0005461100000000, 0.0007808300000000, -0.0005663600000000 ] - [ -0.0000497200000000, 0.0000915500000000, -0.0000894400000000 ] - [ 0.0005307700000000, -0.0000899600000000, -0.0008847300000000 ] - [ 0.0000093200000000, -0.0000070600000000, 0.0000744300000000 ] - [ 0.0004256200000000, 0.0004275100000000, 0.0000912500000000 ] - [ 0.0000010600000000, 0.0001433000000000, 0.0000725000000000 ] - [ 0.0001035900000000, -0.0000797100000000, -0.0004302200000000 ] - [ -0.0007061200000000, -0.0010091800000000, 0.0006623000000000 ] - [ 0.0000616300000000, -0.0000459100000000, -0.0004835800000000 ] - [ -0.0002192400000000, 0.0005143600000000, -0.0002191200000000 ] - [ 0.0017210400000000, -0.0017130300000000, 0.0009505500000000 ] - [ -0.0001694600000000, -0.0000917400000000, 0.0004844300000000 ] - [ 0.0008550900000000, 0.0012835300000000, 0.0003621800000000 ] - [ -0.0001168700000000, -0.0000259600000000, 0.0004815700000000 ]- atom: 25 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ 0.0060684800000000, -0.0021525800000000, -0.0192374800000000 ] - [ 0.0013580300000000, -0.0000832900000000, -0.0005660000000000 ] - [ -0.0018367100000000, -0.0002769800000000, -0.0001038400000000 ] - [ 0.0010081700000000, -0.0001226900000000, -0.0004080700000000 ] - [ 0.0010549700000000, 0.0000522900000000, -0.0001417700000000 ] - [ -0.0011698500000000, -0.0017075800000000, -0.0023311700000000 ] - [ 0.0010234600000000, -0.0004413100000000, -0.0001589400000000 ] - [ -0.0013042100000000, 0.0017420900000000, -0.0019696800000000 ] - [ 0.0292021300000000, -0.0213529300000000, -0.0009343800000000 ] - [ 0.0019094100000000, 0.0002566400000000, 0.0007520200000000 ] - [ -0.0020678200000000, 0.0027905300000000, 0.0003673100000000 ] - [ 0.0015613300000000, 0.0000774700000000, 0.0006836100000000 ] - [ 0.0017307000000000, 0.0010458200000000, -0.0002831200000000 ] - [ 0.0067805500000000, -0.0121330100000000, -0.0053965400000000 ] - [ 0.0009630000000000, 0.0001147600000000, -0.0004133600000000 ] - [ -0.0010237000000000, 0.0033311400000000, 0.0003218300000000 ] - [ 0.0326530000000000, 0.0200090300000000, -0.0067398100000000 ] - [ 0.0024109600000000, 0.0002880100000000, -0.0001278900000000 ] - [ -0.0015906200000000, -0.0025404900000000, -0.0006358600000000 ] - [ 0.0020298300000000, 0.0004249600000000, -0.0001460800000000 ] - [ 0.0004578200000000, 0.0002529800000000, 0.0002479700000000 ] - [ -0.0015623700000000, -0.0034948500000000, 0.0001595100000000 ] - [ 0.0012606500000000, -0.0007417700000000, 0.0002067600000000 ] - [ 0.0046723600000000, 0.0113986600000000, -0.0040821000000000 ] - [ -0.4568034900000000, 0.0125770700000000, 0.0860319500000000 ] - [ 0.0022824300000000, -0.0000659800000000, -0.0006291700000000 ] - [ -0.0058200500000000, 0.0000703200000000, 0.0006764100000000 ] - [ 0.0017369900000000, -0.0000535400000000, -0.0005374500000000 ] - [ 0.0031190100000000, 0.0002074700000000, -0.0000971100000000 ] - [ -0.0059500700000000, -0.0067017500000000, -0.0004134100000000 ] - [ 0.0031185200000000, -0.0001026400000000, -0.0001207900000000 ] - [ -0.0059472100000000, 0.0070404900000000, -0.0009216300000000 ] - [ -0.0006568500000000, 0.0017515700000000, -0.0012726800000000 ] - [ 0.0010802100000000, -0.0003242800000000, 0.0004700800000000 ] - [ -0.0008091200000000, -0.0008856600000000, 0.0004968800000000 ] - [ 0.0009078100000000, 0.0002357500000000, 0.0001368000000000 ] - [ 0.0013545900000000, -0.0003477200000000, -0.0005534500000000 ] - [ 0.0013118500000000, 0.0005195900000000, 0.0025377300000000 ] - [ 0.0006961700000000, 0.0000562500000000, -0.0003779600000000 ] - [ -0.0000572300000000, -0.0004257800000000, -0.0005476200000000 ] - [ -0.0019491000000000, -0.0013019200000000, -0.0015075800000000 ] - [ 0.0002286200000000, 0.0004811400000000, 0.0000351700000000 ] - [ -0.0018141200000000, 0.0013592900000000, -0.0002152900000000 ] - [ -0.0000110500000000, -0.0001463200000000, -0.0000830700000000 ] - [ 0.0021771600000000, 0.0007846600000000, -0.0002602900000000 ] - [ 0.0013508900000000, -0.0021642700000000, 0.0012315600000000 ] - [ 0.0017657100000000, -0.0000595300000000, 0.0000256800000000 ] - [ 0.0006668700000000, 0.0008772300000000, -0.0002797400000000 ] - [ 0.0032768000000000, -0.0003089800000000, -0.0014450800000000 ] - [ 0.0035860700000000, -0.0009717600000000, 0.0004992300000000 ] - [ 0.0007568500000000, -0.0004007100000000, -0.0004855100000000 ] - [ 0.0005914200000000, -0.0005169400000000, 0.0000126700000000 ] - [ -0.0002999000000000, 0.0002259200000000, 0.0003267200000000 ] - [ 0.0019021600000000, -0.0009915800000000, -0.0003603000000000 ] - [ -0.0000808800000000, -0.0012414100000000, 0.0006392900000000 ] - [ 0.0018998100000000, -0.0002353000000000, -0.0004326400000000 ] - [ 0.0019458200000000, 0.0001410200000000, 0.0008083900000000 ] - [ 0.0083370500000000, 0.0000674200000000, 0.0122069100000000 ] - [ 0.0011707800000000, 0.0002376700000000, 0.0005971200000000 ] - [ -0.0007035500000000, 0.0004989700000000, 0.0002398000000000 ] - [ -0.0022572900000000, 0.0009409700000000, 0.0005683200000000 ] - [ 0.0014045100000000, 0.0005384300000000, 0.0005006700000000 ] - [ -0.0021544600000000, -0.0010028000000000, 0.0002582300000000 ] - [ 0.0013982200000000, 0.0007557300000000, 0.0005256600000000 ] - [ 0.0014011000000000, -0.0014166500000000, 0.0010202300000000 ] - [ -0.0027656000000000, 0.0007393600000000, -0.0002788300000000 ] - [ 0.0012240100000000, 0.0026203400000000, -0.0004688700000000 ] - [ -0.0027552400000000, -0.0002070100000000, -0.0000346300000000 ] - [ -0.0041474300000000, 0.0000638600000000, 0.0007516700000000 ] - [ -0.0062682000000000, 0.0050193100000000, -0.0045198700000000 ] - [ -0.0018734200000000, 0.0007576500000000, 0.0000828400000000 ] - [ -0.0000909700000000, -0.0001109600000000, 0.0007174200000000 ] - [ 0.2896497300000000, -0.0151943800000000, -0.0815007600000000 ] - [ -0.0036218200000000, -0.0000226200000000, 0.0012787800000000 ] - [ 0.0071724800000000, -0.0001589500000000, 0.0008773200000000 ] - [ -0.0029643500000000, -0.0000215500000000, 0.0010627400000000 ] - [ -0.0031294200000000, -0.0012204700000000, -0.0006933400000000 ] - [ 0.0070283600000000, 0.0114236200000000, 0.0045396100000000 ] - [ -0.0030982200000000, 0.0007775700000000, -0.0005138400000000 ] - [ 0.0061003100000000, -0.0111083800000000, 0.0015977600000000 ] - [ -0.0010320100000000, -0.0010193900000000, 0.0005066800000000 ] - [ -0.0009255900000000, 0.0006362900000000, 0.0004788500000000 ] - [ -0.0011412500000000, 0.0000046400000000, 0.0003964400000000 ] - [ -0.0008324400000000, -0.0021074300000000, 0.0007539100000000 ] - [ -0.0027651900000000, -0.0021306200000000, 0.0054692000000000 ] - [ -0.0023970900000000, -0.0005315500000000, -0.0003682500000000 ] - [ 0.0007856600000000, -0.0002568900000000, -0.0004858400000000 ] - [ -0.0011655000000000, -0.0006663700000000, -0.0000534100000000 ] - [ 0.0110700400000000, -0.0070769200000000, -0.0045077700000000 ] - [ -0.0018428500000000, 0.0002033300000000, -0.0003591200000000 ] - [ 0.0105825300000000, 0.0077921100000000, -0.0027217300000000 ] - [ -0.0018086600000000, -0.0001579200000000, -0.0003917000000000 ] - [ -0.0026330900000000, -0.0000173800000000, -0.0001495900000000 ] - [ 0.0666648600000000, 0.0055804800000000, 0.0229192500000000 ] - [ -0.0019258700000000, -0.0000520900000000, -0.0000620600000000 ] - [ 0.0025524700000000, 0.0001394300000000, -0.0009037700000000 ] - [ -0.0017539200000000, -0.0017266900000000, 0.0008900900000000 ] - [ -0.0015084600000000, 0.0008762800000000, -0.0005270200000000 ] - [ -0.0018201800000000, 0.0017780000000000, 0.0009311700000000 ] - [ -0.0015335500000000, -0.0007742200000000, -0.0004389500000000 ] - [ -0.0024402000000000, -0.0002204300000000, -0.0023455100000000 ] - [ -0.0019553500000000, 0.0001360700000000, 0.0007459100000000 ] - [ -0.0001620400000000, 0.0001347400000000, -0.0001222600000000 ] - [ -0.0007374600000000, 0.0000493500000000, 0.0001526500000000 ] - [ -0.0013628800000000, -0.0000580100000000, -0.0004845800000000 ] - [ 0.0041600000000000, -0.0001249200000000, -0.0006373300000000 ] - [ -0.0011090200000000, -0.0000645000000000, -0.0005049900000000 ] - [ 0.0021063600000000, -0.0000131100000000, -0.0002438100000000 ] - [ 0.0038056700000000, 0.0005058100000000, -0.0001824000000000 ] - [ -0.0013915800000000, -0.0000956100000000, 0.0005599200000000 ] - [ 0.0036712400000000, -0.0005111500000000, -0.0001410700000000 ] - [ -0.0013574600000000, -0.0000270800000000, 0.0005614300000000 ]- atom: 25 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ -0.0059507600000000, 0.0018779800000000, 0.0194207900000000 ] - [ -0.0013399100000000, -0.0002059200000000, 0.0006755200000000 ] - [ 0.0018583700000000, -0.0000131000000000, 0.0002198100000000 ] - [ -0.0009916000000000, -0.0001673300000000, 0.0005166100000000 ] - [ -0.0010763500000000, -0.0003422300000000, 0.0000294200000000 ] - [ 0.0011389500000000, 0.0014146400000000, 0.0022249000000000 ] - [ -0.0010433200000000, 0.0001514800000000, 0.0000487500000000 ] - [ 0.0012724300000000, -0.0020305100000000, 0.0018647200000000 ] - [ -0.0292272000000000, 0.0226841300000000, 0.0021040100000000 ] - [ -0.0013556900000000, 0.0005850200000000, 0.0003903300000000 ] - [ 0.0026314700000000, -0.0019568500000000, 0.0007717100000000 ] - [ -0.0010082100000000, 0.0007638400000000, 0.0004580300000000 ] - [ -0.0022934200000000, -0.0002073500000000, -0.0008608000000000 ] - [ -0.0072250600000000, 0.0128711400000000, 0.0042281900000000 ] - [ -0.0015242600000000, 0.0007256600000000, -0.0007297100000000 ] - [ 0.0004512600000000, -0.0024845900000000, -0.0014608800000000 ] - [ -0.0318107100000000, -0.0204782300000000, 0.0066495800000000 ] - [ -0.0009186200000000, -0.0002704300000000, -0.0001382600000000 ] - [ 0.0030916000000000, 0.0025727800000000, 0.0003738900000000 ] - [ -0.0005372100000000, -0.0004055400000000, -0.0001200200000000 ] - [ -0.0019561800000000, -0.0002340700000000, 0.0000166600000000 ] - [ 0.0000514300000000, 0.0035090800000000, 0.0001088500000000 ] - [ -0.0027584600000000, 0.0007618900000000, 0.0000587400000000 ] - [ -0.0060704500000000, -0.0112943300000000, 0.0043091600000000 ] - [ 0.4703653500000000, -0.0146200900000000, -0.0965883300000000 ] - [ -0.0032231500000000, 0.0000547300000000, 0.0001831200000000 ] - [ 0.0049033100000000, -0.0000827900000000, -0.0011267600000000 ] - [ -0.0026781800000000, 0.0000421300000000, 0.0000918700000000 ] - [ -0.0021908200000000, -0.0002196300000000, 0.0005439800000000 ] - [ 0.0068229600000000, 0.0067235900000000, 0.0008828300000000 ] - [ -0.0021903600000000, 0.0000911400000000, 0.0005682400000000 ] - [ 0.0068286500000000, -0.0071031700000000, 0.0013957200000000 ] - [ 0.0005432200000000, -0.0016970100000000, 0.0018088300000000 ] - [ -0.0012021500000000, 0.0003691800000000, 0.0000691400000000 ] - [ 0.0006939600000000, 0.0009314800000000, 0.0000399400000000 ] - [ -0.0010295200000000, -0.0001896000000000, 0.0004007600000000 ] - [ -0.0012371100000000, 0.0003956000000000, 0.0000166900000000 ] - [ -0.0011977400000000, -0.0004729400000000, -0.0030687000000000 ] - [ -0.0005786100000000, -0.0000080000000000, -0.0001562200000000 ] - [ 0.0001740400000000, 0.0004713800000000, 0.0000096700000000 ] - [ 0.0000747600000000, 0.0016531200000000, 0.0013172100000000 ] - [ -0.0021130300000000, -0.0001177700000000, -0.0002176900000000 ] - [ -0.0000630900000000, -0.0009963700000000, 0.0000318500000000 ] - [ -0.0018734300000000, 0.0005091200000000, -0.0001001600000000 ] - [ -0.0002966900000000, -0.0004215700000000, 0.0004433100000000 ] - [ 0.0005279200000000, 0.0025290300000000, -0.0010505900000000 ] - [ 0.0001137700000000, 0.0004220700000000, 0.0001577200000000 ] - [ 0.0012128300000000, -0.0005146300000000, 0.0004623100000000 ] - [ -0.0030309500000000, -0.0007602600000000, 0.0013743300000000 ] - [ -0.0033681000000000, -0.0000982300000000, -0.0005721900000000 ] - [ -0.0005227300000000, -0.0006706900000000, 0.0004153300000000 ] - [ -0.0003673100000000, -0.0005537900000000, -0.0000836600000000 ] - [ 0.0000774700000000, -0.0012980600000000, -0.0002593000000000 ] - [ -0.0021330200000000, -0.0000790300000000, 0.0004317400000000 ] - [ -0.0001441800000000, 0.0001696700000000, -0.0005728500000000 ] - [ -0.0021323900000000, -0.0008353700000000, 0.0005034200000000 ] - [ -0.0018117300000000, 0.0006484900000000, -0.0005091200000000 ] - [ -0.0081672800000000, 0.0007450300000000, -0.0118488200000000 ] - [ -0.0010372200000000, 0.0005505700000000, -0.0002979200000000 ] - [ 0.0008380500000000, 0.0002903400000000, 0.0000574200000000 ] - [ 0.0021397400000000, -0.0001425500000000, -0.0008648800000000 ] - [ -0.0015447100000000, 0.0002502200000000, -0.0007997800000000 ] - [ 0.0020286000000000, 0.0017953200000000, -0.0005653400000000 ] - [ -0.0015391400000000, 0.0000321500000000, -0.0008255500000000 ] - [ -0.0012004800000000, 0.0021477200000000, -0.0012200000000000 ] - [ 0.0029869000000000, -0.0000033500000000, 0.0000787400000000 ] - [ -0.0010186800000000, -0.0018720500000000, 0.0002754100000000 ] - [ 0.0029760700000000, 0.0009431800000000, -0.0001664300000000 ] - [ 0.0039242800000000, 0.0006711400000000, -0.0005469200000000 ] - [ 0.0060691900000000, -0.0042933200000000, 0.0047375500000000 ] - [ 0.0016570900000000, -0.0000218200000000, 0.0001162900000000 ] - [ -0.0001225700000000, 0.0008482400000000, -0.0005161400000000 ] - [ -0.3081601500000000, 0.0165309800000000, 0.0909295500000000 ] - [ 0.0032761600000000, -0.0002390400000000, 0.0000590500000000 ] - [ -0.0075487800000000, -0.0001055400000000, 0.0004559500000000 ] - [ 0.0026178600000000, -0.0002407600000000, 0.0002744600000000 ] - [ 0.0034871500000000, 0.0009616000000000, -0.0006440300000000 ] - [ -0.0066191000000000, -0.0116503100000000, -0.0058925000000000 ] - [ 0.0034570700000000, -0.0010441400000000, -0.0008240000000000 ] - [ -0.0056798300000000, 0.0108198000000000, -0.0029497900000000 ] - [ 0.0009981600000000, -0.0001166700000000, -0.0000007300000000 ] - [ 0.0008966700000000, -0.0017747000000000, 0.0000273800000000 ] - [ 0.0011088200000000, -0.0011413400000000, 0.0001097300000000 ] - [ 0.0008045600000000, 0.0009730300000000, -0.0002477700000000 ] - [ 0.0027793500000000, 0.0009830700000000, -0.0059530200000000 ] - [ 0.0024334500000000, -0.0006085100000000, -0.0001371400000000 ] - [ -0.0007594700000000, -0.0008826800000000, -0.0000233400000000 ] - [ 0.0011993400000000, -0.0004732400000000, -0.0004524600000000 ] - [ -0.0107787100000000, 0.0070157200000000, 0.0043413100000000 ] - [ 0.0022168900000000, -0.0002300700000000, 0.0001754000000000 ] - [ -0.0102758500000000, -0.0078222000000000, 0.0025481300000000 ] - [ 0.0021826900000000, 0.0001308400000000, 0.0002081600000000 ] - [ 0.0022660900000000, -0.0000080700000000, 0.0003317200000000 ] - [ -0.0622892600000000, -0.0051539100000000, -0.0211057900000000 ] - [ 0.0015571800000000, 0.0000270800000000, 0.0002458900000000 ] - [ -0.0029265500000000, -0.0001659900000000, 0.0010891700000000 ] - [ 0.0015802200000000, 0.0018600700000000, -0.0009553600000000 ] - [ 0.0013316200000000, -0.0007479800000000, 0.0004674700000000 ] - [ 0.0016456800000000, -0.0016518700000000, -0.0009979500000000 ] - [ 0.0013567600000000, 0.0009036700000000, 0.0003792200000000 ] - [ 0.0026236500000000, 0.0003517500000000, 0.0024184200000000 ] - [ 0.0021336900000000, -0.0000068800000000, -0.0006865700000000 ] - [ 0.0003390300000000, -0.0000065100000000, 0.0001822500000000 ] - [ 0.0009171100000000, 0.0000793600000000, -0.0000942500000000 ] - [ 0.0014794700000000, -0.0000661100000000, -0.0005191600000000 ] - [ -0.0040449400000000, -0.0000000700000000, -0.0003469400000000 ] - [ 0.0012253100000000, -0.0000593400000000, -0.0004990500000000 ] - [ -0.0019946300000000, -0.0001114700000000, -0.0007613000000000 ] - [ -0.0039226500000000, -0.0006427100000000, 0.0011946700000000 ] - [ 0.0012781400000000, -0.0000283800000000, 0.0004433500000000 ] - [ -0.0037878500000000, 0.0003987700000000, 0.0011517000000000 ] - [ 0.0012437600000000, -0.0000969700000000, 0.0004421500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047999100000000, -0.0099800500000000, 0.0062108600000000 ] - [ -0.0000071100000000, -0.0002414300000000, 0.0000449100000000 ] - [ 0.0001177000000000, 0.0008456200000000, 0.0000274400000000 ] - [ -0.0000143800000000, -0.0000646000000000, 0.0000631600000000 ] - [ 0.0000489200000000, -0.0001772600000000, 0.0000153300000000 ] - [ -0.0012274800000000, -0.0003307300000000, 0.0020654200000000 ] - [ -0.0001325000000000, -0.0000996700000000, -0.0000609900000000 ] - [ 0.0012904800000000, 0.0000910900000000, -0.0021084100000000 ] - [ -0.0246548800000000, 0.0017332200000000, 0.0006949100000000 ] - [ 0.0003528300000000, 0.0002514300000000, 0.0006007300000000 ] - [ 0.0003561300000000, 0.0032366800000000, -0.0001899700000000 ] - [ 0.0001808300000000, 0.0005707300000000, 0.0005531900000000 ] - [ -0.0000048800000000, 0.0002531700000000, -0.0004704800000000 ] - [ -0.0033025300000000, 0.0012024200000000, 0.0003069500000000 ] - [ -0.0004876000000000, 0.0006149200000000, -0.0006204200000000 ] - [ 0.0019165900000000, 0.0023391800000000, 0.0000058200000000 ] - [ 0.0270592300000000, 0.0006316900000000, -0.0032601600000000 ] - [ 0.0006385800000000, -0.0001530500000000, -0.0001386400000000 ] - [ 0.0009157000000000, 0.0029077200000000, 0.0004260700000000 ] - [ 0.0008436700000000, 0.0002039900000000, -0.0001206000000000 ] - [ -0.0006150500000000, 0.0001813800000000, 0.0001916600000000 ] - [ -0.0032204800000000, 0.0021519700000000, 0.0000572800000000 ] - [ -0.0011433900000000, -0.0000308900000000, 0.0000798700000000 ] - [ 0.0017116100000000, 0.0002482200000000, -0.0006853300000000 ] - [ 0.0126723400000000, -0.0613170700000000, -0.0100903900000000 ] - [ -0.0005352000000000, -0.0001115900000000, -0.0002157000000000 ] - [ -0.0004112800000000, 0.0020170300000000, -0.0002122000000000 ] - [ -0.0005227700000000, 0.0000958800000000, -0.0002125900000000 ] - [ 0.0005797200000000, 0.0000193200000000, 0.0002005500000000 ] - [ -0.0065355500000000, 0.0116182700000000, 0.0035461900000000 ] - [ 0.0002690500000000, 0.0000174100000000, 0.0002731700000000 ] - [ 0.0072271400000000, 0.0118824500000000, -0.0034280100000000 ] - [ 0.0002806200000000, -0.0008584300000000, 0.0010195200000000 ] - [ -0.0001616300000000, -0.0000640900000000, 0.0003270000000000 ] - [ -0.0003226500000000, 0.0004742300000000, -0.0001313500000000 ] - [ 0.0000152700000000, 0.0001011900000000, 0.0002293700000000 ] - [ -0.0000500500000000, -0.0001905200000000, -0.0003727900000000 ] - [ 0.0001950400000000, -0.0004806300000000, -0.0004637800000000 ] - [ 0.0001018000000000, 0.0002507500000000, -0.0001813700000000 ] - [ -0.0000563900000000, 0.0005842600000000, -0.0000040400000000 ] - [ -0.0011279600000000, -0.0001704500000000, -0.0002374500000000 ] - [ -0.0008890800000000, 0.0000507300000000, -0.0001411600000000 ] - [ -0.0006689200000000, 0.0009478900000000, 0.0003202200000000 ] - [ -0.0010245900000000, 0.0003336000000000, -0.0000459600000000 ] - [ 0.0009487400000000, -0.0002182600000000, 0.0001210000000000 ] - [ 0.0007080700000000, -0.0007202000000000, 0.0002825100000000 ] - [ 0.0008457000000000, 0.0005672800000000, 0.0000709100000000 ] - [ 0.0011603300000000, 0.0009495200000000, -0.0000818600000000 ] - [ -0.0003999500000000, -0.0010075000000000, 0.0000232200000000 ] - [ 0.0001798100000000, -0.0008478800000000, -0.0000010500000000 ] - [ 0.0001384700000000, -0.0000850500000000, -0.0000547700000000 ] - [ 0.0000484600000000, -0.0002484300000000, -0.0000113100000000 ] - [ 0.0006518000000000, -0.0004768800000000, 0.0002546800000000 ] - [ -0.0005545100000000, -0.0005107800000000, 0.0001585100000000 ] - [ -0.0007646300000000, -0.0004829100000000, -0.0002395900000000 ] - [ 0.0002955100000000, -0.0005610100000000, -0.0001141900000000 ] - [ -0.0000595600000000, 0.0002519800000000, 0.0001537600000000 ] - [ 0.0008058600000000, -0.0010464200000000, 0.0009510600000000 ] - [ 0.0000556100000000, 0.0005696900000000, 0.0001096800000000 ] - [ -0.0001544000000000, 0.0010770000000000, -0.0000058500000000 ] - [ 0.0010715100000000, 0.0008775500000000, 0.0019019800000000 ] - [ -0.0001933000000000, 0.0003709900000000, -0.0001878400000000 ] - [ -0.0007009800000000, 0.0007493100000000, -0.0015428500000000 ] - [ 0.0000124600000000, 0.0004102800000000, -0.0001575900000000 ] - [ -0.0015775600000000, -0.0006697200000000, -0.0016697200000000 ] - [ 0.0005091100000000, 0.0002535200000000, -0.0002355500000000 ] - [ 0.0011996600000000, 0.0007416000000000, 0.0010954100000000 ] - [ -0.0001842000000000, 0.0004869900000000, 0.0000407900000000 ] - [ 0.0001457500000000, 0.0009383600000000, 0.0000790400000000 ] - [ -0.0003011100000000, 0.0015915900000000, 0.0001431900000000 ] - [ -0.0001692200000000, -0.0002095400000000, 0.0001169200000000 ] - [ 0.0000386600000000, -0.0008009100000000, 0.0000919400000000 ] - [ -0.0145203500000000, 0.0516762800000000, 0.0059074000000000 ] - [ -0.0001020800000000, 0.0001921100000000, 0.0006489500000000 ] - [ -0.0002280500000000, -0.0042240700000000, 0.0010930100000000 ] - [ -0.0001178600000000, -0.0004555600000000, 0.0006711200000000 ] - [ -0.0000396300000000, -0.0002063000000000, -0.0007930400000000 ] - [ 0.0081299000000000, -0.0002887000000000, -0.0044884200000000 ] - [ 0.0005202000000000, -0.0003159700000000, -0.0006448000000000 ] - [ -0.0079427900000000, -0.0010194100000000, 0.0023366900000000 ] - [ -0.0003266100000000, -0.0005892800000000, 0.0001463700000000 ] - [ 0.0006566500000000, -0.0008344100000000, -0.0005638600000000 ] - [ 0.0003975500000000, -0.0005381200000000, 0.0003632000000000 ] - [ -0.0006115900000000, -0.0003522600000000, 0.0010001900000000 ] - [ 0.0009634400000000, 0.0005615400000000, -0.0011271100000000 ] - [ 0.0000321600000000, -0.0003865600000000, -0.0002434200000000 ] - [ -0.0000351000000000, -0.0015053100000000, -0.0002380400000000 ] - [ 0.0000451100000000, -0.0007519000000000, -0.0002605500000000 ] - [ -0.0022229800000000, -0.0053891900000000, -0.0032624400000000 ] - [ 0.0002318600000000, -0.0000044200000000, -0.0000739300000000 ] - [ 0.0015872100000000, -0.0055422400000000, 0.0021770300000000 ] - [ 0.0002295400000000, -0.0000282000000000, -0.0001098000000000 ] - [ -0.0001254500000000, 0.0003579400000000, 0.0001070300000000 ] - [ 0.0050215800000000, 0.0010819600000000, 0.0020022000000000 ] - [ -0.0001753700000000, -0.0003107000000000, 0.0000922500000000 ] - [ -0.0000813600000000, -0.0027807500000000, 0.0003006500000000 ] - [ -0.0008816800000000, -0.0004150800000000, 0.0005438600000000 ] - [ 0.0002917200000000, 0.0000093700000000, 0.0002266300000000 ] - [ 0.0006472900000000, -0.0003788200000000, -0.0005791100000000 ] - [ -0.0003805100000000, 0.0000626000000000, -0.0002314400000000 ] - [ 0.0001664200000000, 0.0013982500000000, -0.0000127000000000 ] - [ 0.0001393700000000, 0.0005833600000000, 0.0000058400000000 ] - [ 0.0000850600000000, -0.0004736900000000, -0.0000012100000000 ] - [ 0.0001089400000000, -0.0003691600000000, 0.0000153200000000 ] - [ 0.0000972800000000, 0.0000263300000000, -0.0005093600000000 ] - [ -0.0000140700000000, 0.0013205700000000, -0.0010337000000000 ] - [ 0.0000814000000000, -0.0001509400000000, -0.0005041300000000 ] - [ 0.0000204700000000, -0.0011873800000000, -0.0005532000000000 ] - [ 0.0001412600000000, -0.0009996500000000, 0.0023463600000000 ] - [ -0.0000524200000000, -0.0000526500000000, 0.0005141200000000 ] - [ -0.0003420000000000, -0.0011816400000000, -0.0009276200000000 ] - [ -0.0000076200000000, -0.0000741200000000, 0.0004993800000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0049302000000000, 0.0096336800000000, -0.0061806800000000 ] - [ 0.0000367200000000, -0.0000592300000000, 0.0000562400000000 ] - [ -0.0000972600000000, -0.0011461500000000, 0.0000850500000000 ] - [ 0.0000443700000000, -0.0002346900000000, 0.0000411400000000 ] - [ -0.0000710100000000, -0.0001232100000000, -0.0001161100000000 ] - [ 0.0012039900000000, 0.0000372300000000, -0.0021885200000000 ] - [ 0.0001086600000000, -0.0002018100000000, -0.0000454900000000 ] - [ -0.0013127000000000, -0.0003919500000000, 0.0019790500000000 ] - [ 0.0250126500000000, -0.0009305200000000, 0.0004067800000000 ] - [ 0.0002397300000000, 0.0005667400000000, 0.0005575000000000 ] - [ 0.0002215400000000, -0.0024096400000000, 0.0013457800000000 ] - [ 0.0004160800000000, 0.0002453600000000, 0.0006064200000000 ] - [ -0.0005821300000000, 0.0005672000000000, -0.0006863000000000 ] - [ 0.0027392300000000, -0.0003950000000000, -0.0014626600000000 ] - [ -0.0000946700000000, 0.0002051200000000, -0.0005334300000000 ] - [ -0.0024862100000000, -0.0015109400000000, -0.0011555900000000 ] - [ -0.0257442600000000, -0.0005562000000000, 0.0030056300000000 ] - [ 0.0009182400000000, 0.0002171100000000, -0.0001180900000000 ] - [ 0.0006303300000000, -0.0028513700000000, -0.0006851000000000 ] - [ 0.0007126700000000, -0.0001373900000000, -0.0001358100000000 ] - [ -0.0009349700000000, -0.0001155300000000, 0.0000657900000000 ] - [ 0.0016889500000000, -0.0020965400000000, 0.0002014500000000 ] - [ -0.0004133200000000, 0.0001029400000000, 0.0001777000000000 ] - [ -0.0032520200000000, -0.0001691200000000, 0.0009402900000000 ] - [ -0.0144728000000000, 0.0617786500000000, 0.0105085900000000 ] - [ -0.0004034700000000, 0.0000979600000000, -0.0002305900000000 ] - [ -0.0005540200000000, -0.0020311700000000, -0.0002286900000000 ] - [ -0.0004163200000000, -0.0001088400000000, -0.0002352200000000 ] - [ 0.0003751900000000, -0.0000314200000000, 0.0002432400000000 ] - [ 0.0075940300000000, -0.0119040300000000, -0.0031510500000000 ] - [ 0.0006840700000000, -0.0000330800000000, 0.0001744100000000 ] - [ -0.0062044800000000, -0.0116399300000000, 0.0038239000000000 ] - [ -0.0003863800000000, 0.0009158400000000, -0.0004833800000000 ] - [ 0.0000590700000000, 0.0001069400000000, 0.0002247200000000 ] - [ 0.0002143100000000, -0.0004382800000000, 0.0006844800000000 ] - [ -0.0001187800000000, -0.0000585900000000, 0.0003243500000000 ] - [ 0.0001614800000000, 0.0002306800000000, -0.0001893200000000 ] - [ -0.0000896600000000, 0.0005255300000000, -0.0000849600000000 ] - [ 0.0000072700000000, -0.0002073900000000, -0.0003759700000000 ] - [ 0.0001644000000000, -0.0005416100000000, -0.0005520600000000 ] - [ -0.0007410100000000, 0.0005333700000000, 0.0000322400000000 ] - [ -0.0009774600000000, 0.0003260800000000, -0.0000489400000000 ] - [ -0.0012035200000000, -0.0005660700000000, -0.0005113400000000 ] - [ -0.0008421300000000, 0.0000439300000000, -0.0001443800000000 ] - [ 0.0009248400000000, 0.0005985000000000, 0.0000667500000000 ] - [ 0.0011617000000000, 0.0010957200000000, -0.0000933800000000 ] - [ 0.0010259200000000, -0.0001924000000000, 0.0001176800000000 ] - [ 0.0007093700000000, -0.0005735600000000, 0.0002708200000000 ] - [ 0.0006114800000000, -0.0000718700000000, -0.0000528100000000 ] - [ 0.0000112800000000, -0.0002342800000000, -0.0000215000000000 ] - [ 0.0000477300000000, -0.0009984600000000, 0.0000358400000000 ] - [ 0.0001425500000000, -0.0008349000000000, -0.0000087700000000 ] - [ -0.0008438600000000, -0.0006031200000000, -0.0002283300000000 ] - [ 0.0003746500000000, -0.0005730200000000, -0.0001379300000000 ] - [ 0.0005804000000000, -0.0006051100000000, 0.0002617500000000 ] - [ -0.0004766400000000, -0.0005229700000000, 0.0001343700000000 ] - [ 0.0001852000000000, 0.0005384900000000, 0.0001694500000000 ] - [ -0.0006883500000000, 0.0018410900000000, -0.0006202500000000 ] - [ 0.0000635300000000, 0.0002227700000000, 0.0002111100000000 ] - [ 0.0002707300000000, -0.0002852900000000, 0.0003276700000000 ] - [ -0.0012028400000000, -0.0000855100000000, -0.0022276900000000 ] - [ 0.0000790300000000, 0.0004210500000000, -0.0001298000000000 ] - [ 0.0005752500000000, 0.0000341900000000, 0.0012209800000000 ] - [ -0.0001222500000000, 0.0003844800000000, -0.0001599800000000 ] - [ 0.0017919700000000, 0.0014001100000000, 0.0014920300000000 ] - [ -0.0003121900000000, 0.0004854300000000, 0.0000456900000000 ] - [ -0.0009932100000000, 0.0000195000000000, -0.0012827500000000 ] - [ 0.0003802000000000, 0.0002526200000000, -0.0002326500000000 ] - [ -0.0003695800000000, -0.0001992200000000, 0.0001212500000000 ] - [ 0.0000947500000000, -0.0008555200000000, 0.0000482800000000 ] - [ -0.0000376400000000, 0.0009523000000000, 0.0000752600000000 ] - [ -0.0002459700000000, 0.0015422300000000, 0.0001000700000000 ] - [ 0.0154766500000000, -0.0522491100000000, -0.0050992200000000 ] - [ -0.0002682800000000, -0.0004593900000000, 0.0006735400000000 ] - [ -0.0001061800000000, 0.0039555700000000, 0.0002223000000000 ] - [ -0.0002537800000000, 0.0001878200000000, 0.0006494400000000 ] - [ 0.0003932100000000, -0.0000647100000000, -0.0005285100000000 ] - [ -0.0078013000000000, -0.0000118900000000, 0.0031894100000000 ] - [ -0.0001633100000000, 0.0000457100000000, -0.0006744000000000 ] - [ 0.0082747000000000, 0.0007691600000000, -0.0036391100000000 ] - [ 0.0002966200000000, -0.0005505300000000, 0.0003538700000000 ] - [ -0.0006887900000000, -0.0003027500000000, 0.0010663100000000 ] - [ -0.0004294000000000, -0.0005972800000000, 0.0001367500000000 ] - [ 0.0005797200000000, -0.0007845400000000, -0.0004976900000000 ] - [ -0.0009624200000000, -0.0017252300000000, 0.0006704900000000 ] - [ -0.0000081800000000, -0.0007556300000000, -0.0002548600000000 ] - [ 0.0000681100000000, 0.0003669600000000, -0.0002640600000000 ] - [ -0.0000208400000000, -0.0003897400000000, -0.0002377200000000 ] - [ 0.0026383600000000, 0.0053378500000000, 0.0030625500000000 ] - [ 0.0001335600000000, -0.0000254700000000, -0.0001134600000000 ] - [ -0.0011771400000000, 0.0055372900000000, -0.0023636500000000 ] - [ 0.0001359600000000, -0.0000015100000000, -0.0000777600000000 ] - [ -0.0002514100000000, -0.0003870300000000, 0.0000779000000000 ] - [ -0.0057776000000000, -0.0012420200000000, -0.0019759200000000 ] - [ -0.0001997400000000, 0.0002815700000000, 0.0000938300000000 ] - [ -0.0002850400000000, 0.0027554500000000, -0.0001216200000000 ] - [ 0.0006993300000000, 0.0005383200000000, -0.0006012800000000 ] - [ -0.0004738600000000, 0.0001198300000000, -0.0002870800000000 ] - [ -0.0008309300000000, 0.0005155700000000, 0.0005202300000000 ] - [ 0.0001989800000000, 0.0000677200000000, 0.0001714600000000 ] - [ 0.0000046300000000, -0.0012687200000000, 0.0000676200000000 ] - [ 0.0000343700000000, -0.0004535000000000, 0.0000541000000000 ] - [ 0.0000938600000000, 0.0006039000000000, 0.0000602400000000 ] - [ 0.0000652300000000, 0.0004992900000000, 0.0000448800000000 ] - [ 0.0000137800000000, -0.0001518700000000, -0.0004977000000000 ] - [ 0.0001393000000000, -0.0014520800000000, 0.0000502900000000 ] - [ 0.0000303000000000, 0.0000256600000000, -0.0005031300000000 ] - [ 0.0001008800000000, 0.0010631500000000, -0.0004501500000000 ] - [ -0.0002447100000000, 0.0008717100000000, -0.0013478000000000 ] - [ -0.0000656600000000, -0.0000730800000000, 0.0004929600000000 ] - [ 0.0002389900000000, 0.0010563700000000, 0.0019245700000000 ] - [ -0.0001106300000000, -0.0000507900000000, 0.0005081400000000 ]- atom: 25 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ -0.0325192900000000, 0.0038460700000000, 0.0278610900000000 ] - [ -0.0001359600000000, -0.0001569900000000, -0.0000624100000000 ] - [ 0.0001310100000000, -0.0002550200000000, -0.0006957000000000 ] - [ -0.0001526900000000, -0.0001626000000000, 0.0000090300000000 ] - [ -0.0001370800000000, -0.0002100500000000, 0.0001066100000000 ] - [ -0.0008114200000000, 0.0006777200000000, 0.0004022500000000 ] - [ -0.0001472900000000, -0.0000822200000000, 0.0001197300000000 ] - [ -0.0003750300000000, -0.0007526000000000, 0.0004815300000000 ] - [ 0.0083831300000000, -0.0038460600000000, -0.0099255000000000 ] - [ 0.0000061200000000, 0.0004298400000000, 0.0005106300000000 ] - [ 0.0008211100000000, 0.0003575100000000, 0.0002864100000000 ] - [ 0.0000479600000000, 0.0003953500000000, 0.0005611800000000 ] - [ -0.0004969600000000, 0.0002369400000000, -0.0007189200000000 ] - [ -0.0016412500000000, 0.0015764400000000, -0.0014450600000000 ] - [ -0.0004082000000000, 0.0004259200000000, -0.0006382200000000 ] - [ -0.0008724200000000, -0.0004729700000000, -0.0010150600000000 ] - [ 0.0008099000000000, -0.0000338100000000, -0.0116508600000000 ] - [ 0.0004893400000000, -0.0000161300000000, -0.0001692800000000 ] - [ 0.0012005800000000, -0.0000452500000000, -0.0005073400000000 ] - [ 0.0005370500000000, 0.0000372500000000, -0.0001365800000000 ] - [ -0.0008623900000000, -0.0000113400000000, 0.0000999300000000 ] - [ -0.0014856700000000, 0.0009146000000000, -0.0000509800000000 ] - [ -0.0008859600000000, 0.0001831700000000, 0.0000444600000000 ] - [ -0.0023006300000000, -0.0019785700000000, 0.0000369300000000 ] - [ 0.0934916400000000, -0.0104963200000000, -0.1059273800000000 ] - [ -0.0009588400000000, 0.0000024800000000, -0.0002105800000000 ] - [ 0.0003734900000000, 0.0000019000000000, -0.0006607600000000 ] - [ -0.0008676000000000, 0.0000064300000000, -0.0001669800000000 ] - [ 0.0001925400000000, -0.0000549300000000, 0.0002498700000000 ] - [ -0.0005987600000000, 0.0036509000000000, -0.0015998200000000 ] - [ 0.0002158700000000, 0.0000151000000000, 0.0002510500000000 ] - [ -0.0000974400000000, -0.0033971000000000, -0.0015963500000000 ] - [ -0.0001344300000000, -0.0021957800000000, 0.0028286200000000 ] - [ -0.0002085100000000, -0.0001335200000000, 0.0004188000000000 ] - [ -0.0000434600000000, 0.0005534600000000, 0.0009354700000000 ] - [ -0.0002419300000000, -0.0000012000000000, 0.0003479000000000 ] - [ -0.0003968500000000, 0.0002466800000000, 0.0002306200000000 ] - [ -0.0003947800000000, 0.0001765500000000, 0.0020943900000000 ] - [ 0.0000245200000000, -0.0000339600000000, -0.0002621700000000 ] - [ 0.0000072200000000, 0.0001471700000000, -0.0000242200000000 ] - [ -0.0003225500000000, 0.0018957800000000, 0.0031953100000000 ] - [ -0.0011187500000000, 0.0003393600000000, 0.0000265400000000 ] - [ -0.0005392100000000, 0.0000715800000000, 0.0006914800000000 ] - [ -0.0011366800000000, 0.0002304000000000, -0.0000299200000000 ] - [ 0.0004557100000000, -0.0003429400000000, 0.0003991800000000 ] - [ 0.0011936100000000, -0.0005396700000000, 0.0010693900000000 ] - [ 0.0008774100000000, 0.0003464300000000, 0.0000498700000000 ] - [ 0.0011422400000000, 0.0003454100000000, 0.0003435900000000 ] - [ -0.0032047300000000, -0.0008096200000000, 0.0007132700000000 ] - [ 0.0010146000000000, -0.0006959800000000, 0.0003792400000000 ] - [ 0.0000429400000000, -0.0005178600000000, -0.0000184800000000 ] - [ -0.0000170600000000, -0.0004970400000000, -0.0000332000000000 ] - [ 0.0003767600000000, -0.0007066800000000, 0.0006211400000000 ] - [ -0.0005317200000000, -0.0005238900000000, 0.0002527400000000 ] - [ -0.0000203300000000, -0.0002013600000000, 0.0003104600000000 ] - [ -0.0005182600000000, -0.0005090900000000, 0.0002106900000000 ] - [ -0.0008072200000000, 0.0005251600000000, -0.0000904200000000 ] - [ 0.0053108000000000, -0.0000042700000000, 0.0057912800000000 ] - [ -0.0000330800000000, 0.0004074200000000, 0.0000984600000000 ] - [ 0.0003182800000000, 0.0002952900000000, -0.0000551800000000 ] - [ 0.0018564200000000, 0.0014586000000000, 0.0014180600000000 ] - [ -0.0003558500000000, 0.0003384600000000, -0.0002462000000000 ] - [ 0.0011417300000000, 0.0007484500000000, 0.0009397700000000 ] - [ -0.0003408200000000, 0.0003806800000000, -0.0002509300000000 ] - [ -0.0017539500000000, 0.0007333000000000, -0.0037279100000000 ] - [ 0.0006830200000000, 0.0004277900000000, -0.0002794000000000 ] - [ -0.0007076900000000, -0.0016102400000000, -0.0018069500000000 ] - [ 0.0006885400000000, 0.0002715100000000, -0.0002215400000000 ] - [ 0.0020557700000000, 0.0006477400000000, -0.0008845700000000 ] - [ -0.0025885700000000, 0.0021577500000000, -0.0036372500000000 ] - [ 0.0000455800000000, 0.0002536900000000, 0.0001425800000000 ] - [ -0.0001422600000000, 0.0001611200000000, -0.0001288500000000 ] - [ -0.0887637200000000, 0.0065861700000000, 0.0877234100000000 ] - [ 0.0003896600000000, -0.0001395600000000, 0.0007766600000000 ] - [ -0.0011408800000000, -0.0000760400000000, 0.0017736000000000 ] - [ 0.0002674100000000, -0.0001558900000000, 0.0006663400000000 ] - [ 0.0005716200000000, 0.0000957200000000, -0.0007142100000000 ] - [ 0.0024105700000000, -0.0017627600000000, -0.0007913200000000 ] - [ 0.0005280000000000, -0.0002327900000000, -0.0007776500000000 ] - [ 0.0013149700000000, 0.0020677100000000, -0.0010549300000000 ] - [ 0.0000085600000000, -0.0003309400000000, -0.0000089000000000 ] - [ 0.0005377300000000, -0.0006340800000000, -0.0006814000000000 ] - [ 0.0001012500000000, -0.0008717000000000, 0.0000889300000000 ] - [ 0.0004782100000000, -0.0005418200000000, -0.0004856700000000 ] - [ 0.0046815200000000, 0.0021379700000000, -0.0077427000000000 ] - [ -0.0000229000000000, -0.0005414400000000, -0.0003920600000000 ] - [ -0.0000938800000000, -0.0008133900000000, -0.0001681000000000 ] - [ 0.0002166100000000, -0.0005712900000000, -0.0002824700000000 ] - [ -0.0031410400000000, -0.0020638800000000, 0.0013853800000000 ] - [ 0.0004947800000000, 0.0000049200000000, -0.0000492900000000 ] - [ -0.0017041500000000, 0.0018585900000000, 0.0001335000000000 ] - [ 0.0004850500000000, -0.0000357100000000, -0.0000512300000000 ] - [ 0.0001567100000000, -0.0000164700000000, 0.0004379000000000 ] - [ 0.0208811500000000, 0.0020952600000000, 0.0082450200000000 ] - [ 0.0000341000000000, -0.0000038200000000, 0.0001443600000000 ] - [ -0.0004701500000000, -0.0001099000000000, 0.0008234600000000 ] - [ 0.0002099100000000, 0.0006299100000000, 0.0001227900000000 ] - [ 0.0001091900000000, 0.0001157600000000, 0.0001735500000000 ] - [ 0.0003616200000000, -0.0006145800000000, 0.0004241200000000 ] - [ 0.0000427900000000, -0.0000423900000000, 0.0002128900000000 ] - [ -0.0003167000000000, -0.0000241300000000, -0.0000664400000000 ] - [ 0.0006162900000000, 0.0000501200000000, -0.0000766100000000 ] - [ -0.0000421300000000, 0.0000659500000000, -0.0000354400000000 ] - [ 0.0003823400000000, 0.0000622300000000, -0.0000404700000000 ] - [ 0.0002851400000000, -0.0000611700000000, -0.0005523800000000 ] - [ -0.0007756800000000, -0.0002638500000000, 0.0054061600000000 ] - [ 0.0002268000000000, -0.0000611400000000, -0.0005117300000000 ] - [ -0.0002394800000000, -0.0001197300000000, -0.0008043000000000 ] - [ -0.0009517300000000, 0.0018454000000000, 0.0000204200000000 ] - [ 0.0001636900000000, 0.0000004200000000, 0.0005171400000000 ] - [ -0.0010670900000000, -0.0020200400000000, 0.0000509800000000 ] - [ 0.0001525300000000, -0.0001299300000000, 0.0005060700000000 ]- atom: 25 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ 0.0319603100000000, -0.0040112800000000, -0.0272680300000000 ] - [ 0.0001626300000000, -0.0001419300000000, 0.0001103200000000 ] - [ -0.0001101800000000, -0.0000446500000000, 0.0007398000000000 ] - [ 0.0001790700000000, -0.0001355300000000, 0.0000395400000000 ] - [ 0.0001135800000000, -0.0000875500000000, -0.0001509400000000 ] - [ 0.0007897500000000, -0.0009871700000000, -0.0004418500000000 ] - [ 0.0001234100000000, -0.0002173100000000, -0.0001687200000000 ] - [ 0.0003483000000000, 0.0004614200000000, -0.0005212100000000 ] - [ -0.0076449500000000, 0.0045861200000000, 0.0111156000000000 ] - [ 0.0005634700000000, 0.0003671000000000, 0.0006597900000000 ] - [ -0.0002584000000000, 0.0004481900000000, 0.0008834600000000 ] - [ 0.0005230100000000, 0.0003982300000000, 0.0006105400000000 ] - [ -0.0000653600000000, 0.0005604100000000, -0.0004508200000000 ] - [ 0.0010842700000000, -0.0007931400000000, 0.0002879400000000 ] - [ -0.0001550400000000, 0.0003691100000000, -0.0005303500000000 ] - [ 0.0002978400000000, 0.0012676200000000, -0.0001534500000000 ] - [ 0.0008676900000000, 0.0001634500000000, 0.0113687000000000 ] - [ 0.0010346500000000, 0.0000925300000000, -0.0000754100000000 ] - [ 0.0003190200000000, 0.0001113500000000, 0.0002579000000000 ] - [ 0.0009852000000000, 0.0000423200000000, -0.0001077100000000 ] - [ -0.0006557800000000, 0.0000916900000000, 0.0001449500000000 ] - [ -0.0000391500000000, -0.0008379900000000, 0.0002989400000000 ] - [ -0.0006316100000000, -0.0001026300000000, 0.0001997400000000 ] - [ 0.0007840400000000, 0.0020674000000000, 0.0002206900000000 ] - [ -0.0925729700000000, 0.0102153300000000, 0.1062983700000000 ] - [ -0.0000201600000000, -0.0000142600000000, -0.0002320400000000 ] - [ -0.0013691900000000, -0.0000154700000000, 0.0002187700000000 ] - [ -0.0001143800000000, -0.0000176200000000, -0.0002744600000000 ] - [ 0.0007997500000000, 0.0000443600000000, 0.0001899800000000 ] - [ 0.0015646100000000, -0.0036579100000000, 0.0020839400000000 ] - [ 0.0007742100000000, -0.0000290500000000, 0.0001914500000000 ] - [ 0.0010449500000000, 0.0033583900000000, 0.0020831400000000 ] - [ 0.0000089900000000, 0.0022053200000000, -0.0022636300000000 ] - [ 0.0000922800000000, 0.0001519400000000, 0.0001442800000000 ] - [ -0.0000783500000000, -0.0005265700000000, -0.0003705200000000 ] - [ 0.0001247700000000, 0.0000210400000000, 0.0002147400000000 ] - [ 0.0005141900000000, -0.0002297200000000, -0.0007949800000000 ] - [ 0.0005279600000000, -0.0001533200000000, -0.0026644600000000 ] - [ 0.0000950100000000, 0.0000514300000000, -0.0003049000000000 ] - [ 0.0001117900000000, -0.0001295700000000, -0.0005412800000000 ] - [ -0.0015793000000000, -0.0014709000000000, -0.0033527800000000 ] - [ -0.0007654900000000, 0.0000651500000000, -0.0001975400000000 ] - [ -0.0013503000000000, 0.0003257500000000, -0.0008634400000000 ] - [ -0.0007481800000000, 0.0001735600000000, -0.0001409100000000 ] - [ 0.0014283400000000, 0.0007468100000000, -0.0002281300000000 ] - [ 0.0006959000000000, 0.0009401000000000, -0.0009037600000000 ] - [ 0.0010092200000000, 0.0000606300000000, 0.0001167700000000 ] - [ 0.0007442700000000, 0.0000622900000000, -0.0001746100000000 ] - [ 0.0033642200000000, -0.0002713400000000, -0.0007653100000000 ] - [ -0.0008258700000000, -0.0003836100000000, -0.0004353700000000 ] - [ 0.0001337400000000, -0.0005604800000000, -0.0000323200000000 ] - [ 0.0001976300000000, -0.0005813700000000, -0.0000180400000000 ] - [ -0.0005665100000000, -0.0003708600000000, -0.0005634400000000 ] - [ 0.0003598500000000, -0.0005567100000000, -0.0002033700000000 ] - [ -0.0001626300000000, -0.0008754000000000, -0.0002537800000000 ] - [ 0.0003435100000000, -0.0005693300000000, -0.0001611800000000 ] - [ 0.0009488900000000, 0.0002615600000000, 0.0004208100000000 ] - [ -0.0051411800000000, 0.0007962500000000, -0.0054529700000000 ] - [ 0.0001799700000000, 0.0003783000000000, 0.0002315800000000 ] - [ -0.0001745500000000, 0.0004909100000000, 0.0003837800000000 ] - [ -0.0020202900000000, -0.0006863500000000, -0.0017469700000000 ] - [ 0.0002122200000000, 0.0004479400000000, -0.0000836700000000 ] - [ -0.0012910700000000, 0.0000435200000000, -0.0012564700000000 ] - [ 0.0002000500000000, 0.0004083700000000, -0.0000787100000000 ] - [ 0.0019894700000000, 0.0000111600000000, 0.0035309500000000 ] - [ -0.0004729200000000, 0.0003098400000000, 0.0000847100000000 ] - [ 0.0009353400000000, 0.0023198800000000, 0.0015981900000000 ] - [ -0.0004791700000000, 0.0004635700000000, 0.0000256100000000 ] - [ -0.0022683600000000, 0.0000901500000000, 0.0010781400000000 ] - [ 0.0023651200000000, -0.0014160900000000, 0.0038521300000000 ] - [ -0.0002631500000000, 0.0004837100000000, 0.0000556000000000 ] - [ -0.0000743100000000, 0.0005735800000000, 0.0003289600000000 ] - [ 0.0866209100000000, -0.0067458600000000, -0.0869620500000000 ] - [ -0.0007505100000000, -0.0001244900000000, 0.0005588100000000 ] - [ 0.0008013600000000, -0.0001875300000000, -0.0004319600000000 ] - [ -0.0006295000000000, -0.0001089400000000, 0.0006667400000000 ] - [ -0.0002249600000000, -0.0003645300000000, -0.0006230800000000 ] - [ -0.0020429100000000, 0.0015224500000000, -0.0005659900000000 ] - [ -0.0001776300000000, -0.0000318200000000, -0.0005572100000000 ] - [ -0.0009275800000000, -0.0023491900000000, -0.0003019200000000 ] - [ -0.0000352600000000, -0.0008066500000000, 0.0005087700000000 ] - [ -0.0005714800000000, -0.0004984600000000, 0.0011832300000000 ] - [ -0.0001291500000000, -0.0002663600000000, 0.0004117000000000 ] - [ -0.0005108900000000, -0.0006050500000000, 0.0009849100000000 ] - [ -0.0046331800000000, -0.0032611300000000, 0.0072317500000000 ] - [ 0.0000450300000000, -0.0006000400000000, -0.0001093200000000 ] - [ 0.0001246400000000, -0.0003286900000000, -0.0003277500000000 ] - [ -0.0001914100000000, -0.0005704400000000, -0.0002180700000000 ] - [ 0.0035505400000000, 0.0020289700000000, -0.0016258600000000 ] - [ -0.0001298700000000, -0.0000333300000000, -0.0001398300000000 ] - [ 0.0021050400000000, -0.0018527700000000, -0.0003582900000000 ] - [ -0.0001200300000000, 0.0000063600000000, -0.0001379900000000 ] - [ -0.0005312200000000, -0.0000106100000000, -0.0002468400000000 ] - [ -0.0212295600000000, -0.0021349000000000, -0.0084260800000000 ] - [ -0.0004061200000000, -0.0000244000000000, 0.0000440400000000 ] - [ 0.0001070700000000, 0.0000850400000000, -0.0006329300000000 ] - [ -0.0003950500000000, -0.0005064900000000, -0.0001753400000000 ] - [ -0.0002894600000000, 0.0000134500000000, -0.0002338400000000 ] - [ -0.0005440200000000, 0.0007457600000000, -0.0004748400000000 ] - [ -0.0002226500000000, 0.0001705200000000, -0.0002726900000000 ] - [ 0.0004889400000000, 0.0001517300000000, 0.0001113200000000 ] - [ -0.0004420500000000, 0.0000788500000000, 0.0001358200000000 ] - [ 0.0002203500000000, 0.0000632300000000, 0.0000936800000000 ] - [ -0.0002047700000000, 0.0000669400000000, 0.0001009400000000 ] - [ -0.0001730100000000, -0.0000643200000000, -0.0004526700000000 ] - [ 0.0009593600000000, 0.0001585900000000, -0.0068493900000000 ] - [ -0.0001141800000000, -0.0000641800000000, -0.0004930000000000 ] - [ 0.0003561700000000, -0.0000042200000000, -0.0002028000000000 ] - [ 0.0008404700000000, -0.0019658400000000, 0.0009968600000000 ] - [ -0.0002807000000000, -0.0001254800000000, 0.0004873900000000 ] - [ 0.0009532800000000, 0.0018868900000000, 0.0009626800000000 ] - [ -0.0002697100000000, 0.0000042300000000, 0.0004987900000000 ]- atom: 33 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0007679700000000, 0.0015557100000000, -0.0024777500000000 ] - [ 0.0006113900000000, -0.0001410700000000, -0.0001155000000000 ] - [ -0.0008970100000000, -0.0010234300000000, -0.0000711600000000 ] - [ 0.0005281000000000, -0.0000821700000000, -0.0001004900000000 ] - [ 0.0012791000000000, -0.0001700900000000, -0.0012987400000000 ] - [ 0.0007761500000000, -0.0002507700000000, -0.0001822200000000 ] - [ 0.0001546500000000, -0.0002378700000000, -0.0002805800000000 ] - [ 0.0001168100000000, -0.0000632300000000, -0.0001262800000000 ] - [ -0.0009062900000000, 0.0011850400000000, -0.0003817600000000 ] - [ 0.0008653900000000, 0.0003332600000000, 0.0006134400000000 ] - [ -0.0011529600000000, -0.0003590100000000, 0.0011359600000000 ] - [ 0.0008702100000000, 0.0004409300000000, 0.0005519400000000 ] - [ 0.0002641200000000, 0.0002238300000000, -0.0006483600000000 ] - [ 0.0003998400000000, 0.0007741500000000, -0.0005185900000000 ] - [ -0.0001868100000000, 0.0006077300000000, -0.0005506200000000 ] - [ -0.0000697800000000, 0.0003845400000000, -0.0005602300000000 ] - [ -0.0008699600000000, 0.0004854300000000, 0.0003329400000000 ] - [ 0.0013979600000000, 0.0000524700000000, -0.0001818800000000 ] - [ -0.0001240800000000, -0.0006307600000000, -0.0004530900000000 ] - [ 0.0012879600000000, 0.0000829900000000, -0.0001561200000000 ] - [ -0.0000892700000000, 0.0004884100000000, -0.0001994300000000 ] - [ -0.0000712300000000, -0.0005651200000000, 0.0001909500000000 ] - [ -0.0005713700000000, -0.0004475900000000, 0.0002594400000000 ] - [ -0.0005096900000000, 0.0001579700000000, 0.0000979300000000 ] - [ -0.0009897600000000, 0.0003223200000000, -0.0003118800000000 ] - [ 0.0007521400000000, -0.0001206000000000, -0.0003795300000000 ] - [ -0.0011446100000000, -0.0002781500000000, -0.0002206600000000 ] - [ 0.0005798900000000, 0.0000566800000000, -0.0004128300000000 ] - [ 0.0016869000000000, 0.0000951300000000, -0.0002169000000000 ] - [ 0.0016343300000000, -0.0001532800000000, -0.0002344100000000 ] - [ 0.0010302500000000, -0.0000563800000000, 0.0002000900000000 ] - [ 0.0002749500000000, 0.0001015600000000, 0.0001792500000000 ] - [ -0.0628105300000000, 0.0005033700000000, 0.0212824400000000 ] - [ 0.0005524600000000, 0.0000257900000000, 0.0002287000000000 ] - [ -0.0007447600000000, -0.0000463700000000, 0.0002901800000000 ] - [ 0.0004119200000000, 0.0000152800000000, 0.0002312100000000 ] - [ 0.0004783400000000, -0.0011527300000000, -0.0012340400000000 ] - [ 0.0005516300000000, 0.0004734700000000, -0.0000835000000000 ] - [ 0.0004834100000000, 0.0016576000000000, 0.0007460400000000 ] - [ 0.0005504800000000, -0.0002190100000000, -0.0002359600000000 ] - [ -0.0025458800000000, 0.0008616700000000, 0.0003887300000000 ] - [ -0.0004131600000000, 0.0001006500000000, -0.0000642600000000 ] - [ -0.0113571800000000, -0.0046187500000000, 0.0022272600000000 ] - [ -0.0003834700000000, 0.0001024900000000, -0.0000760200000000 ] - [ 0.0024927200000000, -0.0010199200000000, 0.0004903000000000 ] - [ 0.0021218700000000, 0.0007944700000000, 0.0002657100000000 ] - [ 0.0008562300000000, 0.0006227100000000, 0.0002769800000000 ] - [ 0.0012614400000000, -0.0001460100000000, 0.0002325400000000 ] - [ 0.0045494500000000, -0.0043262000000000, 0.0016633200000000 ] - [ 0.0014538000000000, -0.0002849600000000, -0.0002547900000000 ] - [ -0.0010117100000000, 0.0001290300000000, 0.0001402000000000 ] - [ 0.0012729400000000, -0.0005824100000000, -0.0001327300000000 ] - [ 0.0066149100000000, 0.0112591800000000, -0.0273140400000000 ] - [ 0.0011345200000000, -0.0005965800000000, -0.0000627600000000 ] - [ -0.0018172100000000, -0.0003918400000000, 0.0003372800000000 ] - [ 0.0007976900000000, -0.0005497800000000, -0.0000435200000000 ] - [ 0.0016728500000000, -0.0002928500000000, 0.0008192300000000 ] - [ 0.0007352500000000, 0.0007602600000000, 0.0001741300000000 ] - [ 0.0001911900000000, 0.0006824500000000, 0.0005024100000000 ] - [ 0.0009520300000000, -0.0004392700000000, 0.0003721700000000 ] - [ -0.0037619200000000, -0.0042833100000000, 0.0242357400000000 ] - [ 0.0008353600000000, 0.0005719800000000, 0.0002636800000000 ] - [ -0.0008460300000000, 0.0003126000000000, -0.0005434400000000 ] - [ 0.0006024800000000, 0.0005275100000000, 0.0001714300000000 ] - [ 0.0589362600000000, 0.0098688600000000, -0.0190935900000000 ] - [ -0.0015614000000000, 0.0002977500000000, -0.0001099500000000 ] - [ 0.0020270200000000, 0.0001885600000000, -0.0002107000000000 ] - [ -0.0011851700000000, 0.0003532000000000, -0.0001031400000000 ] - [ -0.0038632000000000, 0.0026188000000000, 0.0015500500000000 ] - [ -0.0018387200000000, -0.0007298000000000, 0.0002077800000000 ] - [ 0.0003434900000000, -0.0008384200000000, -0.0015489100000000 ] - [ -0.0016557700000000, 0.0009384300000000, -0.0001215300000000 ] - [ 0.0015483300000000, -0.0008085400000000, 0.0026487800000000 ] - [ -0.0016065400000000, -0.0000217600000000, 0.0009074200000000 ] - [ 0.0010430800000000, 0.0007062100000000, 0.0013330600000000 ] - [ -0.0014057600000000, -0.0001314400000000, 0.0008952400000000 ] - [ -0.0013801200000000, -0.0004396800000000, 0.0010147400000000 ] - [ -0.0019310400000000, 0.0000359500000000, -0.0004211000000000 ] - [ -0.0004917600000000, 0.0000782200000000, -0.0005029300000000 ] - [ 0.0001261700000000, -0.0003016100000000, -0.0007322000000000 ] - [ -0.0058765700000000, -0.0019072800000000, -0.0004543100000000 ] - [ -0.0012600600000000, -0.0002524200000000, 0.0000633100000000 ] - [ 0.0006362700000000, 0.0000991400000000, 0.0007811300000000 ] - [ -0.0006547800000000, -0.0007659500000000, 0.0000785400000000 ] - [ 0.0069698900000000, -0.0102657400000000, 0.0001992700000000 ] - [ -0.0010075700000000, -0.0005865700000000, -0.0002279700000000 ] - [ 0.0021866100000000, -0.0004257300000000, 0.0000472100000000 ] - [ -0.0008689900000000, -0.0005711700000000, -0.0002258800000000 ] - [ 0.0013229200000000, 0.0006884000000000, -0.0035338300000000 ] - [ -0.0008500500000000, -0.0000167200000000, -0.0002363900000000 ] - [ 0.0007542200000000, -0.0002422200000000, 0.0001784600000000 ] - [ -0.0004752300000000, 0.0000216500000000, -0.0002209100000000 ] - [ -0.0009504500000000, 0.0004034500000000, -0.0005995100000000 ] - [ -0.0005815500000000, -0.0005648300000000, 0.0003200300000000 ] - [ -0.0007970000000000, -0.0005470500000000, 0.0000676700000000 ] - [ -0.0003284100000000, 0.0005984000000000, 0.0003613500000000 ] - [ 0.0020578300000000, 0.0001294900000000, 0.0000601700000000 ] - [ -0.0008173200000000, 0.0000968400000000, 0.0000214900000000 ] - [ 0.0007141300000000, 0.0003424700000000, -0.0002618300000000 ] - [ -0.0005851000000000, 0.0000353800000000, 0.0000213100000000 ] - [ 0.0010803400000000, 0.0012818800000000, 0.0009132900000000 ] - [ -0.0004945500000000, -0.0000092600000000, -0.0000151400000000 ] - [ 0.0009323700000000, -0.0010167500000000, 0.0003805500000000 ] - [ -0.0004285300000000, 0.0001363500000000, 0.0000010500000000 ] - [ -0.0006027200000000, 0.0001317800000000, -0.0004027600000000 ] - [ -0.0005889100000000, -0.0013836700000000, -0.0012885400000000 ] - [ -0.0005255500000000, -0.0002443500000000, -0.0004674500000000 ] - [ 0.0000693300000000, 0.0006281000000000, -0.0006612600000000 ] - [ 0.0040933300000000, -0.0004382800000000, -0.0007941300000000 ] - [ -0.0008341200000000, -0.0001940100000000, 0.0004390300000000 ] - [ 0.0001331000000000, -0.0002481400000000, 0.0004637200000000 ] - [ -0.0005682600000000, 0.0000529200000000, 0.0005017700000000 ]- atom: 33 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0007876700000000, -0.0018141900000000, 0.0027047700000000 ] - [ -0.0005917300000000, -0.0001365900000000, 0.0003618000000000 ] - [ 0.0009071100000000, 0.0007407100000000, 0.0003216500000000 ] - [ -0.0005082400000000, -0.0001966700000000, 0.0003448400000000 ] - [ -0.0012939400000000, -0.0001085100000000, 0.0010468500000000 ] - [ -0.0007965300000000, -0.0000297300000000, -0.0000587400000000 ] - [ -0.0001706800000000, -0.0000391200000000, 0.0000361400000000 ] - [ -0.0001358800000000, -0.0002138600000000, -0.0001139300000000 ] - [ 0.0014279100000000, -0.0002270600000000, 0.0014486600000000 ] - [ -0.0003340100000000, 0.0006151100000000, 0.0004626700000000 ] - [ 0.0016838700000000, 0.0013094100000000, -0.0000694600000000 ] - [ -0.0003414500000000, 0.0005088200000000, 0.0005222600000000 ] - [ -0.0007946600000000, 0.0007241200000000, -0.0004304600000000 ] - [ -0.0009310400000000, 0.0001717600000000, -0.0005603500000000 ] - [ -0.0003432100000000, 0.0003397200000000, -0.0005275000000000 ] - [ -0.0004610600000000, 0.0005641200000000, -0.0005166800000000 ] - [ 0.0023348100000000, -0.0005944900000000, -0.0006539900000000 ] - [ 0.0000657300000000, -0.0001591300000000, -0.0001244500000000 ] - [ 0.0015829800000000, 0.0005239100000000, 0.0001462400000000 ] - [ 0.0001761400000000, -0.0001899600000000, -0.0001501300000000 ] - [ -0.0013725200000000, -0.0005986500000000, 0.0005025400000000 ] - [ -0.0013899600000000, 0.0004538700000000, 0.0001141600000000 ] - [ -0.0008834800000000, 0.0003342300000000, 0.0000463100000000 ] - [ -0.0009500500000000, -0.0002665000000000, 0.0002067100000000 ] - [ 0.0001917300000000, -0.0003423800000000, -0.0001771400000000 ] - [ -0.0015463700000000, 0.0001006400000000, -0.0001063100000000 ] - [ 0.0003432300000000, 0.0002583700000000, -0.0002659300000000 ] - [ -0.0013734300000000, -0.0000771800000000, -0.0000722000000000 ] - [ -0.0008899600000000, -0.0001157200000000, 0.0007010100000000 ] - [ -0.0008523700000000, 0.0001323800000000, 0.0007002200000000 ] - [ -0.0002298600000000, 0.0000380700000000, 0.0002827100000000 ] - [ 0.0005218900000000, -0.0001192800000000, 0.0003024600000000 ] - [ 0.0620690300000000, -0.0007165800000000, -0.0197608100000000 ] - [ -0.0006565400000000, 0.0000735200000000, 0.0002623500000000 ] - [ 0.0006397900000000, 0.0001570100000000, 0.0001987600000000 ] - [ -0.0005165700000000, 0.0000855500000000, 0.0002569400000000 ] - [ -0.0003725800000000, 0.0012608100000000, 0.0007535600000000 ] - [ -0.0004440700000000, -0.0003683100000000, -0.0004040100000000 ] - [ -0.0003713200000000, -0.0015533000000000, -0.0012294200000000 ] - [ -0.0004449500000000, 0.0003195500000000, -0.0002486800000000 ] - [ 0.0006862200000000, -0.0005813300000000, -0.0006013800000000 ] - [ -0.0014477900000000, 0.0001854600000000, -0.0001499700000000 ] - [ 0.0094727000000000, 0.0049734900000000, -0.0025090000000000 ] - [ -0.0014773600000000, 0.0001819600000000, -0.0001388500000000 ] - [ -0.0006385000000000, 0.0013075600000000, -0.0002697000000000 ] - [ -0.0002505200000000, -0.0005035700000000, -0.0000481500000000 ] - [ 0.0010095200000000, -0.0003325000000000, -0.0000626200000000 ] - [ 0.0006015100000000, 0.0004308200000000, -0.0000165700000000 ] - [ -0.0042501300000000, 0.0032980400000000, -0.0017622900000000 ] - [ -0.0011328300000000, -0.0007749800000000, 0.0001706800000000 ] - [ 0.0013431800000000, -0.0011910200000000, -0.0002208800000000 ] - [ -0.0009536200000000, -0.0004797200000000, 0.0000490900000000 ] - [ -0.0070118400000000, -0.0124266700000000, 0.0277427900000000 ] - [ -0.0014494100000000, -0.0004660700000000, 0.0001470300000000 ] - [ 0.0015049900000000, -0.0006669800000000, -0.0002544700000000 ] - [ -0.0011128000000000, -0.0005119100000000, 0.0001272700000000 ] - [ -0.0016019800000000, 0.0011074400000000, -0.0005821900000000 ] - [ -0.0006588500000000, 0.0000562400000000, 0.0000637500000000 ] - [ -0.0001116400000000, 0.0001270400000000, -0.0002595200000000 ] - [ -0.0008735600000000, 0.0012436900000000, -0.0001315400000000 ] - [ 0.0036184800000000, 0.0051370100000000, -0.0244441400000000 ] - [ -0.0009055500000000, 0.0002421400000000, -0.0005015300000000 ] - [ 0.0007723100000000, 0.0005055000000000, 0.0002998400000000 ] - [ -0.0006763300000000, 0.0002849200000000, -0.0004108400000000 ] - [ -0.0583373500000000, -0.0085319200000000, 0.0177923000000000 ] - [ 0.0017682100000000, 0.0004399600000000, -0.0000932800000000 ] - [ -0.0018237100000000, 0.0005406300000000, 0.0000156500000000 ] - [ 0.0013927700000000, 0.0003825300000000, -0.0001003800000000 ] - [ 0.0036676200000000, -0.0018962000000000, -0.0013486700000000 ] - [ 0.0016235400000000, 0.0014571200000000, -0.0000067800000000 ] - [ -0.0005614500000000, 0.0015742400000000, 0.0017489600000000 ] - [ 0.0014445100000000, -0.0001981800000000, 0.0003186200000000 ] - [ -0.0018888700000000, 0.0005441800000000, -0.0013041300000000 ] - [ 0.0012586900000000, -0.0002404000000000, 0.0004242900000000 ] - [ -0.0013813600000000, -0.0009725500000000, -0.0000011500000000 ] - [ 0.0010567100000000, -0.0001293200000000, 0.0004357900000000 ] - [ 0.0017286400000000, 0.0001807600000000, -0.0023394200000000 ] - [ 0.0022880700000000, -0.0002935000000000, -0.0009084100000000 ] - [ 0.0008371000000000, -0.0003437900000000, -0.0008275600000000 ] - [ 0.0002271800000000, 0.0000370600000000, -0.0005970300000000 ] - [ 0.0058317100000000, 0.0007818700000000, 0.0009450600000000 ] - [ 0.0012278200000000, -0.0008797700000000, 0.0004390000000000 ] - [ -0.0006708000000000, -0.0012395100000000, -0.0002743000000000 ] - [ 0.0006254000000000, -0.0003718100000000, 0.0004271200000000 ] - [ -0.0067595200000000, 0.0088743600000000, -0.0007180200000000 ] - [ 0.0010369300000000, -0.0005525100000000, -0.0002812400000000 ] - [ -0.0021663900000000, -0.0007395600000000, -0.0005979800000000 ] - [ 0.0008990200000000, -0.0005676400000000, -0.0002826000000000 ] - [ -0.0009462500000000, -0.0007090900000000, 0.0034208300000000 ] - [ 0.0012243200000000, -0.0000077500000000, 0.0000610200000000 ] - [ -0.0003766800000000, 0.0002126000000000, -0.0003486200000000 ] - [ 0.0008492300000000, -0.0000466400000000, 0.0000459200000000 ] - [ 0.0005759900000000, -0.0004274600000000, 0.0007760500000000 ] - [ 0.0002069200000000, 0.0005390300000000, -0.0001403900000000 ] - [ 0.0004206100000000, 0.0005251300000000, 0.0001062500000000 ] - [ -0.0000423500000000, -0.0006182700000000, -0.0001811300000000 ] - [ -0.0022602000000000, -0.0000092600000000, -0.0001614800000000 ] - [ 0.0006384900000000, 0.0000329900000000, -0.0000739100000000 ] - [ -0.0008924600000000, -0.0002160000000000, 0.0002076800000000 ] - [ 0.0004078600000000, 0.0000933700000000, -0.0000742500000000 ] - [ -0.0009053500000000, -0.0011508100000000, -0.0008590900000000 ] - [ 0.0006727500000000, 0.0001380500000000, 0.0000677800000000 ] - [ -0.0007621100000000, 0.0011418000000000, -0.0003194400000000 ] - [ 0.0006069200000000, -0.0000067800000000, 0.0000518300000000 ] - [ 0.0007178700000000, -0.0002540400000000, -0.0006018100000000 ] - [ 0.0007062000000000, 0.0012591700000000, 0.0002734700000000 ] - [ 0.0006392800000000, 0.0001224900000000, -0.0005363400000000 ] - [ 0.0000602900000000, -0.0007541900000000, -0.0003414600000000 ] - [ -0.0039857400000000, 0.0002686300000000, 0.0016651500000000 ] - [ 0.0007197700000000, 0.0000730900000000, 0.0005650400000000 ] - [ -0.0002444800000000, 0.0001227300000000, 0.0005389300000000 ] - [ 0.0004530000000000, -0.0001758600000000, 0.0005019100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037169700000000, 0.0044143200000000, -0.0123736300000000 ] - [ -0.0001552000000000, -0.0001748700000000, 0.0000239200000000 ] - [ -0.0008245400000000, 0.0013989600000000, 0.0032756800000000 ] - [ 0.0000489100000000, -0.0001378400000000, 0.0000573600000000 ] - [ 0.0006803500000000, -0.0005952100000000, -0.0005782000000000 ] - [ -0.0002827300000000, -0.0005904600000000, -0.0001161200000000 ] - [ -0.0001348000000000, 0.0003272200000000, 0.0000926000000000 ] - [ -0.0000030100000000, 0.0003713500000000, -0.0002658900000000 ] - [ -0.0004267300000000, 0.0015175900000000, -0.0019663900000000 ] - [ 0.0002125600000000, 0.0005083700000000, 0.0005209000000000 ] - [ 0.0000606500000000, 0.0002528200000000, 0.0004518000000000 ] - [ 0.0003295200000000, 0.0004026500000000, 0.0005537500000000 ] - [ -0.0002944400000000, -0.0005563800000000, -0.0010869100000000 ] - [ -0.0003776100000000, -0.0002102200000000, -0.0008223800000000 ] - [ -0.0000255400000000, 0.0012516600000000, -0.0005220000000000 ] - [ -0.0002265200000000, 0.0009437800000000, -0.0004622000000000 ] - [ 0.0003561300000000, -0.0029317900000000, -0.0029913200000000 ] - [ 0.0006859400000000, -0.0001771500000000, -0.0001968200000000 ] - [ 0.0010267900000000, 0.0019334500000000, 0.0006347700000000 ] - [ 0.0008145600000000, 0.0001428100000000, -0.0001321700000000 ] - [ -0.0001969700000000, -0.0004123200000000, -0.0001232300000000 ] - [ -0.0009743900000000, -0.0002651900000000, 0.0001271500000000 ] - [ -0.0010602700000000, 0.0005385800000000, -0.0000921600000000 ] - [ -0.0006114800000000, 0.0003969200000000, -0.0000164300000000 ] - [ 0.0013102100000000, -0.0009009600000000, -0.0024113500000000 ] - [ -0.0007610900000000, -0.0000940300000000, -0.0003548500000000 ] - [ -0.0013245400000000, 0.0004511600000000, 0.0003239600000000 ] - [ -0.0002015600000000, 0.0000725600000000, -0.0002212900000000 ] - [ 0.0007898100000000, -0.0002182000000000, -0.0000291800000000 ] - [ -0.0000955600000000, -0.0005119000000000, 0.0000402600000000 ] - [ 0.0003823900000000, 0.0002200900000000, 0.0002539300000000 ] - [ 0.0008632700000000, 0.0005542400000000, 0.0000764000000000 ] - [ 0.0013035500000000, -0.2177599800000000, 0.1563703700000000 ] - [ -0.0000768200000000, -0.0001020300000000, 0.0003665800000000 ] - [ -0.0001575400000000, 0.0059147600000000, -0.0014417700000000 ] - [ -0.0000889900000000, 0.0001600400000000, 0.0002259900000000 ] - [ -0.0015553500000000, 0.0005593900000000, 0.0014592800000000 ] - [ 0.0003233700000000, 0.0000637200000000, -0.0001962400000000 ] - [ 0.0012618300000000, 0.0005711600000000, 0.0001230200000000 ] - [ -0.0003665400000000, 0.0000661600000000, -0.0000549000000000 ] - [ -0.0017473600000000, 0.0151232600000000, 0.0039869500000000 ] - [ -0.0009798800000000, 0.0002875200000000, -0.0000663600000000 ] - [ -0.0020740900000000, 0.0356146900000000, -0.0255200900000000 ] - [ -0.0009289800000000, 0.0000739600000000, -0.0000939400000000 ] - [ -0.0002231300000000, -0.0030534500000000, 0.0017103400000000 ] - [ 0.0009798100000000, -0.0003564300000000, 0.0002094000000000 ] - [ 0.0014090400000000, 0.0019628200000000, -0.0002843500000000 ] - [ 0.0009153300000000, 0.0006056600000000, 0.0001093900000000 ] - [ -0.0129486700000000, 0.0037046200000000, -0.0019144300000000 ] - [ 0.0004027000000000, -0.0006462800000000, 0.0000005700000000 ] - [ 0.0030027800000000, 0.0007956100000000, 0.0007278600000000 ] - [ -0.0001692700000000, -0.0004345300000000, 0.0000549100000000 ] - [ 0.0059569000000000, -0.0086358400000000, -0.0091741000000000 ] - [ -0.0002122500000000, -0.0006268200000000, 0.0000473800000000 ] - [ -0.0016010000000000, 0.0019837700000000, 0.0005865400000000 ] - [ -0.0001397300000000, -0.0004479800000000, 0.0000299600000000 ] - [ -0.0033276300000000, 0.0002339600000000, -0.0004339700000000 ] - [ 0.0007596800000000, 0.0002235400000000, 0.0003262700000000 ] - [ 0.0010602000000000, 0.0004379500000000, 0.0005536900000000 ] - [ -0.0003318000000000, 0.0005352900000000, 0.0001181600000000 ] - [ -0.0004222800000000, -0.0096920300000000, -0.0041447900000000 ] - [ -0.0000507700000000, 0.0003013200000000, -0.0001149900000000 ] - [ 0.0008890400000000, 0.0044068100000000, 0.0012456300000000 ] - [ -0.0000499600000000, 0.0004962800000000, -0.0001368700000000 ] - [ 0.0098924400000000, 0.1245288700000000, -0.1014298300000000 ] - [ 0.0001710400000000, 0.0005521700000000, -0.0002205400000000 ] - [ 0.0020053900000000, -0.0114680200000000, 0.0004446900000000 ] - [ 0.0001378000000000, 0.0001685500000000, -0.0000952400000000 ] - [ 0.0102499300000000, 0.0041357900000000, -0.0050742800000000 ] - [ -0.0007769300000000, 0.0010521600000000, -0.0002680400000000 ] - [ -0.0033619500000000, -0.0016247000000000, 0.0002585700000000 ] - [ 0.0004210900000000, -0.0002957900000000, -0.0000386500000000 ] - [ 0.0007423000000000, 0.0038361300000000, 0.0112972800000000 ] - [ 0.0001967200000000, -0.0000424000000000, 0.0007560100000000 ] - [ -0.0002272000000000, -0.0021987800000000, -0.0022686200000000 ] - [ -0.0004125200000000, -0.0002216000000000, 0.0007215200000000 ] - [ -0.0002885700000000, 0.0009744000000000, 0.0003440200000000 ] - [ 0.0008934600000000, 0.0007364000000000, -0.0004998200000000 ] - [ 0.0002054000000000, -0.0013030700000000, -0.0009295300000000 ] - [ -0.0002900900000000, -0.0010142900000000, -0.0003288600000000 ] - [ -0.0039490400000000, 0.0009401400000000, -0.0014859500000000 ] - [ 0.0002050500000000, -0.0001687300000000, 0.0001091700000000 ] - [ 0.0005503900000000, -0.0021973700000000, 0.0001926200000000 ] - [ -0.0000389800000000, -0.0009354000000000, 0.0002454300000000 ] - [ -0.0078671500000000, 0.0550355100000000, -0.0054520800000000 ] - [ 0.0000074100000000, -0.0004838100000000, -0.0003380400000000 ] - [ -0.0021277500000000, -0.0097641400000000, -0.0074252700000000 ] - [ 0.0001118300000000, -0.0006548500000000, -0.0002126400000000 ] - [ 0.0008045900000000, 0.0015288100000000, 0.0028676300000000 ] - [ 0.0000434400000000, 0.0001460200000000, -0.0000666500000000 ] - [ -0.0000722800000000, -0.0020165900000000, -0.0003760400000000 ] - [ 0.0002543800000000, -0.0001692600000000, -0.0000818200000000 ] - [ 0.0002662100000000, 0.0003860000000000, 0.0013573900000000 ] - [ -0.0013875800000000, 0.0001909900000000, 0.0002406200000000 ] - [ -0.0005626200000000, -0.0003435300000000, -0.0001489300000000 ] - [ 0.0005158700000000, -0.0002121400000000, 0.0001382300000000 ] - [ 0.0001191600000000, 0.0025525600000000, 0.0004313300000000 ] - [ -0.0000339100000000, 0.0001847200000000, -0.0000135200000000 ] - [ 0.0001606700000000, -0.0016712300000000, 0.0004220500000000 ] - [ -0.0001061900000000, -0.0000610000000000, -0.0000280800000000 ] - [ 0.0007527300000000, 0.0010616400000000, -0.0007165100000000 ] - [ 0.0000593900000000, 0.0001253900000000, 0.0000300700000000 ] - [ -0.0012117400000000, -0.0013708100000000, 0.0013433000000000 ] - [ 0.0001941000000000, 0.0000065200000000, 0.0000431500000000 ] - [ 0.0002452000000000, 0.0000797600000000, -0.0006691400000000 ] - [ -0.0011928100000000, 0.0002281700000000, -0.0015275800000000 ] - [ -0.0001722800000000, -0.0001936500000000, -0.0004435600000000 ] - [ 0.0021058400000000, -0.0011348400000000, 0.0003320200000000 ] - [ -0.0008911400000000, 0.0024198100000000, 0.0006630700000000 ] - [ -0.0000158800000000, 0.0002766300000000, 0.0005402800000000 ] - [ -0.0005033400000000, -0.0014675100000000, 0.0005089200000000 ] - [ 0.0000648700000000, -0.0004225300000000, 0.0005064700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0036477600000000, -0.0046434200000000, 0.0123058200000000 ] - [ 0.0001728900000000, -0.0001269600000000, 0.0000149500000000 ] - [ 0.0008453900000000, -0.0016932800000000, -0.0032523700000000 ] - [ -0.0000309800000000, -0.0001621500000000, -0.0000194800000000 ] - [ -0.0006846100000000, 0.0002903000000000, 0.0005282200000000 ] - [ 0.0002563300000000, 0.0002895800000000, 0.0000790000000000 ] - [ 0.0001159500000000, -0.0006279700000000, -0.0001323100000000 ] - [ -0.0000089700000000, -0.0006724600000000, 0.0002197600000000 ] - [ 0.0010074800000000, -0.0007334600000000, 0.0031356300000000 ] - [ 0.0003640600000000, 0.0002807500000000, 0.0006553000000000 ] - [ 0.0005168500000000, 0.0005652600000000, 0.0007029200000000 ] - [ 0.0002500600000000, 0.0003865300000000, 0.0006223800000000 ] - [ -0.0002849800000000, 0.0013380200000000, -0.0000940100000000 ] - [ -0.0002101500000000, 0.0009933300000000, -0.0003535100000000 ] - [ -0.0005547500000000, -0.0004573500000000, -0.0006513400000000 ] - [ -0.0003502800000000, -0.0001518500000000, -0.0007113200000000 ] - [ 0.0011726500000000, 0.0029859700000000, 0.0027141400000000 ] - [ 0.0008409900000000, 0.0002580000000000, -0.0000500500000000 ] - [ 0.0005043400000000, -0.0018364400000000, -0.0008813300000000 ] - [ 0.0007131700000000, -0.0000538400000000, -0.0001126600000000 ] - [ -0.0013282700000000, 0.0005015300000000, 0.0003660900000000 ] - [ -0.0005599400000000, 0.0003586000000000, 0.0001196600000000 ] - [ -0.0004725000000000, -0.0004497200000000, 0.0003376500000000 ] - [ -0.0009164600000000, -0.0003138400000000, 0.0002657200000000 ] - [ -0.0022920900000000, 0.0008816700000000, 0.0019703900000000 ] - [ -0.0002301100000000, 0.0000839600000000, -0.0000749300000000 ] - [ 0.0003303600000000, -0.0004538600000000, -0.0007547300000000 ] - [ -0.0007882300000000, -0.0000794200000000, -0.0002072000000000 ] - [ 0.0002080500000000, 0.0002092300000000, 0.0004539000000000 ] - [ 0.0010597800000000, 0.0005029000000000, 0.0003811800000000 ] - [ 0.0006072400000000, -0.0002299300000000, 0.0001787100000000 ] - [ 0.0001278600000000, -0.0005630100000000, 0.0003554800000000 ] - [ -0.0002456100000000, 0.2151807000000000, -0.1595297000000000 ] - [ -0.0000424200000000, 0.0001255500000000, 0.0002013500000000 ] - [ 0.0000360000000000, -0.0058799300000000, 0.0019968200000000 ] - [ -0.0000301700000000, -0.0001349600000000, 0.0003418300000000 ] - [ 0.0016646600000000, -0.0005369200000000, -0.0020212500000000 ] - [ -0.0002019900000000, -0.0000347300000000, -0.0003698500000000 ] - [ -0.0011389000000000, -0.0005244200000000, -0.0006777600000000 ] - [ 0.0004864800000000, -0.0000384400000000, -0.0005123700000000 ] - [ -0.0001298900000000, -0.0145432100000000, -0.0040904100000000 ] - [ -0.0009083400000000, 0.0001182000000000, -0.0001089800000000 ] - [ 0.0002707300000000, -0.0360485700000000, 0.0259053700000000 ] - [ -0.0009592600000000, 0.0003335700000000, -0.0000795400000000 ] - [ 0.0021126500000000, 0.0034308600000000, -0.0015212000000000 ] - [ 0.0009063300000000, 0.0007557300000000, -0.0000352700000000 ] - [ 0.0004765300000000, -0.0015486500000000, 0.0004601900000000 ] - [ 0.0009763300000000, -0.0001983100000000, 0.0000678100000000 ] - [ 0.0129958800000000, -0.0047280100000000, 0.0018150700000000 ] - [ -0.0002206800000000, -0.0004336200000000, -0.0000474400000000 ] - [ -0.0028361700000000, -0.0018684400000000, -0.0007760900000000 ] - [ 0.0003492500000000, -0.0006427800000000, -0.0001008300000000 ] - [ -0.0060695700000000, 0.0077100200000000, 0.0091265900000000 ] - [ 0.0000319500000000, -0.0004530900000000, -0.0000010700000000 ] - [ 0.0013936000000000, -0.0030511200000000, -0.0005321700000000 ] - [ -0.0000452500000000, -0.0006319200000000, 0.0000124400000000 ] - [ 0.0034591600000000, 0.0005425600000000, 0.0007545100000000 ] - [ -0.0006024200000000, 0.0005518900000000, -0.0000050000000000 ] - [ -0.0009099900000000, 0.0003453700000000, -0.0002295000000000 ] - [ 0.0004835000000000, 0.0002486600000000, 0.0002042200000000 ] - [ 0.0002022000000000, 0.0105691800000000, 0.0035417500000000 ] - [ -0.0001027000000000, 0.0004773400000000, -0.0002090200000000 ] - [ -0.0010294400000000, -0.0036061600000000, -0.0015440300000000 ] - [ -0.0001006300000000, 0.0002859800000000, -0.0001886100000000 ] - [ -0.0101210000000000, -0.1250305000000000, 0.1057444300000000 ] - [ 0.0000439100000000, 0.0001830800000000, 0.0000249100000000 ] - [ -0.0017717200000000, 0.0121687600000000, -0.0006436300000000 ] - [ 0.0000761600000000, 0.0005672500000000, -0.0001007500000000 ] - [ -0.0104210400000000, -0.0033611400000000, 0.0052521100000000 ] - [ 0.0005609300000000, -0.0003082200000000, 0.0004612100000000 ] - [ 0.0031619500000000, 0.0023466300000000, -0.0000777600000000 ] - [ -0.0006344300000000, 0.0010278200000000, 0.0002366600000000 ] - [ -0.0010937400000000, -0.0040619100000000, -0.0099262900000000 ] - [ -0.0005500100000000, -0.0002190100000000, 0.0005791100000000 ] - [ -0.0001179600000000, 0.0019037600000000, 0.0036173300000000 ] - [ 0.0000552900000000, -0.0000449200000000, 0.0006124600000000 ] - [ 0.0006373000000000, -0.0012361100000000, -0.0016625100000000 ] - [ -0.0005093300000000, -0.0010010300000000, -0.0008398300000000 ] - [ 0.0001537400000000, 0.0010325200000000, -0.0004069400000000 ] - [ 0.0006421300000000, 0.0007471200000000, -0.0010046700000000 ] - [ 0.0038638200000000, -0.0020788500000000, 0.0019631500000000 ] - [ -0.0002323400000000, -0.0009704200000000, 0.0003889900000000 ] - [ -0.0005697500000000, 0.0010567700000000, 0.0003091400000000 ] - [ 0.0000055700000000, -0.0002014700000000, 0.0002562200000000 ] - [ 0.0071616000000000, -0.0521730500000000, 0.0040243300000000 ] - [ 0.0000228100000000, -0.0006559600000000, -0.0001630600000000 ] - [ 0.0021681400000000, 0.0086289000000000, 0.0069697000000000 ] - [ -0.0000821400000000, -0.0004870100000000, -0.0002881100000000 ] - [ -0.0004279100000000, -0.0015572300000000, -0.0029748800000000 ] - [ 0.0003239600000000, -0.0001732100000000, -0.0001215000000000 ] - [ 0.0004392200000000, 0.0019869000000000, 0.0001752800000000 ] - [ 0.0001166300000000, 0.0001401400000000, -0.0001065900000000 ] - [ -0.0006344900000000, -0.0004078000000000, -0.0011638400000000 ] - [ 0.0010148300000000, -0.0002115600000000, -0.0000512900000000 ] - [ 0.0001923200000000, 0.0003107800000000, 0.0003388500000000 ] - [ -0.0008855600000000, 0.0001787000000000, 0.0000502900000000 ] - [ -0.0002957400000000, -0.0024094800000000, -0.0004874100000000 ] - [ -0.0001438700000000, -0.0000558000000000, -0.0000455200000000 ] - [ -0.0003362900000000, 0.0017968200000000, -0.0004778200000000 ] - [ -0.0000731400000000, 0.0001900700000000, -0.0000313000000000 ] - [ -0.0005715900000000, -0.0009143300000000, 0.0007703500000000 ] - [ 0.0001196500000000, 0.0000053000000000, 0.0000291800000000 ] - [ 0.0013965700000000, 0.0014860100000000, -0.0012893400000000 ] - [ -0.0000156800000000, 0.0001216700000000, 0.0000160800000000 ] - [ -0.0001301000000000, -0.0002028600000000, -0.0003374100000000 ] - [ 0.0013016500000000, -0.0003398800000000, 0.0005124800000000 ] - [ 0.0002862700000000, 0.0000662700000000, -0.0005621900000000 ] - [ -0.0019986300000000, 0.0010004100000000, -0.0013421900000000 ] - [ 0.0007623600000000, -0.0025273000000000, 0.0003477300000000 ] - [ -0.0000995100000000, -0.0004012700000000, 0.0004650600000000 ] - [ 0.0003825600000000, 0.0013393100000000, 0.0005006600000000 ] - [ -0.0001785900000000, 0.0002962800000000, 0.0004995900000000 ]- atom: 33 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ -0.0033675900000000, -0.0055342600000000, 0.0105673700000000 ] - [ 0.0000782800000000, -0.0001343700000000, 0.0000559200000000 ] - [ 0.0003631000000000, 0.0011538700000000, 0.0007581400000000 ] - [ -0.0000408800000000, -0.0001616700000000, 0.0000429300000000 ] - [ -0.0014515800000000, 0.0001747400000000, 0.0016358800000000 ] - [ 0.0010008900000000, -0.0000400500000000, 0.0001165200000000 ] - [ -0.0000155100000000, -0.0004194300000000, -0.0000092100000000 ] - [ 0.0001286300000000, -0.0003738500000000, 0.0002325200000000 ] - [ 0.0011155100000000, -0.0006095100000000, 0.0031661500000000 ] - [ 0.0003112100000000, 0.0003305600000000, 0.0006494100000000 ] - [ 0.0000519200000000, -0.0014526100000000, 0.0041235000000000 ] - [ 0.0002400800000000, 0.0003674200000000, 0.0006416500000000 ] - [ 0.0003354500000000, 0.0007519800000000, 0.0008289600000000 ] - [ 0.0001856600000000, 0.0011563200000000, -0.0000670200000000 ] - [ -0.0004533500000000, -0.0000032500000000, -0.0004553100000000 ] - [ -0.0003294900000000, 0.0001855700000000, -0.0005087500000000 ] - [ 0.0003823900000000, 0.0023397600000000, 0.0054897600000000 ] - [ 0.0007814500000000, 0.0001769300000000, -0.0000458900000000 ] - [ 0.0009512000000000, -0.0007850400000000, 0.0004080200000000 ] - [ 0.0007043400000000, -0.0000098600000000, -0.0000911200000000 ] - [ -0.0006777100000000, 0.0002020400000000, 0.0013818300000000 ] - [ -0.0002082900000000, -0.0002628800000000, 0.0003445400000000 ] - [ -0.0007994900000000, -0.0001205100000000, 0.0004487400000000 ] - [ -0.0008494200000000, -0.0001177000000000, 0.0003376700000000 ] - [ -0.0020882500000000, 0.0007495600000000, 0.0023166900000000 ] - [ -0.0003547200000000, 0.0000473500000000, -0.0000856200000000 ] - [ -0.0003211500000000, -0.0004149900000000, 0.0004306400000000 ] - [ -0.0006876500000000, -0.0000529700000000, -0.0001563800000000 ] - [ 0.0002614800000000, 0.0000865700000000, 0.0007383400000000 ] - [ 0.0033683700000000, 0.0001852700000000, 0.0026258000000000 ] - [ 0.0004382400000000, -0.0001027800000000, 0.0002455000000000 ] - [ 0.0002713800000000, -0.0002790700000000, 0.0004821900000000 ] - [ 0.0210928800000000, 0.1628272800000000, -0.3026580300000000 ] - [ -0.0000872000000000, 0.0001012000000000, 0.0001766200000000 ] - [ -0.0000198000000000, -0.0017121400000000, 0.0002145500000000 ] - [ -0.0000827700000000, -0.0000392800000000, 0.0002753100000000 ] - [ 0.0010564000000000, -0.0003783400000000, -0.0020396400000000 ] - [ 0.0000717000000000, -0.0002105700000000, -0.0007255500000000 ] - [ -0.0009308700000000, -0.0017368300000000, -0.0020507200000000 ] - [ 0.0002259000000000, -0.0000676300000000, -0.0007259400000000 ] - [ -0.0007577600000000, -0.0021688400000000, -0.0015088500000000 ] - [ -0.0009696100000000, 0.0001634200000000, -0.0001397200000000 ] - [ -0.0008364500000000, -0.0132635300000000, -0.0018137600000000 ] - [ -0.0010044600000000, 0.0002443300000000, -0.0001394200000000 ] - [ 0.0017943000000000, 0.0025911100000000, -0.0022513300000000 ] - [ 0.0003559800000000, 0.0000837200000000, -0.0004704500000000 ] - [ 0.0010311300000000, -0.0006239900000000, -0.0002463900000000 ] - [ 0.0008599300000000, 0.0002021500000000, -0.0001443500000000 ] - [ 0.0095157400000000, -0.0042747000000000, -0.0002468900000000 ] - [ -0.0003152300000000, -0.0005984600000000, -0.0000418300000000 ] - [ -0.0001673500000000, -0.0003058000000000, -0.0013222900000000 ] - [ -0.0000868600000000, -0.0005783900000000, -0.0001240800000000 ] - [ -0.0192845600000000, -0.0121152700000000, 0.0167873500000000 ] - [ -0.0000382900000000, -0.0004975300000000, -0.0000807300000000 ] - [ 0.0002881700000000, -0.0013548000000000, -0.0003722100000000 ] - [ -0.0001119100000000, -0.0005801600000000, -0.0000157300000000 ] - [ 0.0023737100000000, 0.0005743800000000, 0.0004419000000000 ] - [ -0.0006218900000000, 0.0002970000000000, 0.0000177900000000 ] - [ -0.0001049400000000, 0.0004824400000000, -0.0004321700000000 ] - [ -0.0003642100000000, 0.0009198700000000, 0.0000912300000000 ] - [ 0.0129256400000000, -0.0094530900000000, 0.0399078000000000 ] - [ -0.0001924200000000, 0.0004152400000000, -0.0002405600000000 ] - [ -0.0003693700000000, -0.0007952700000000, -0.0003240200000000 ] - [ -0.0001524600000000, 0.0003138200000000, -0.0002162900000000 ] - [ -0.0201830900000000, -0.1119377500000000, 0.2362827600000000 ] - [ 0.0001713100000000, 0.0002992800000000, 0.0000952600000000 ] - [ -0.0001710400000000, 0.0033251900000000, 0.0000925200000000 ] - [ 0.0001673600000000, 0.0004681600000000, -0.0000277600000000 ] - [ -0.0074879700000000, -0.0019954400000000, 0.0043935500000000 ] - [ 0.0006705000000000, 0.0006793100000000, 0.0007117000000000 ] - [ -0.0003285400000000, 0.0015898000000000, 0.0023906000000000 ] - [ 0.0002621300000000, 0.0004384200000000, 0.0008328300000000 ] - [ -0.0009216100000000, -0.0023871100000000, -0.0095589200000000 ] - [ -0.0003547200000000, -0.0002003200000000, 0.0005456800000000 ] - [ -0.0010453600000000, 0.0013257000000000, -0.0022610700000000 ] - [ -0.0000086700000000, -0.0000698200000000, 0.0005489900000000 ] - [ 0.0001469900000000, -0.0006537400000000, -0.0035766900000000 ] - [ -0.0021461400000000, -0.0006498300000000, -0.0010777100000000 ] - [ 0.0002848100000000, 0.0003592300000000, -0.0006772900000000 ] - [ 0.0004154900000000, 0.0002163700000000, -0.0011624100000000 ] - [ 0.0073265800000000, -0.0012616600000000, 0.0045844900000000 ] - [ -0.0002647500000000, -0.0007550100000000, 0.0010297400000000 ] - [ 0.0000291100000000, 0.0002947500000000, 0.0005873100000000 ] - [ -0.0000521500000000, -0.0004466000000000, 0.0004426700000000 ] - [ -0.0002401300000000, -0.0040198700000000, 0.0021669300000000 ] - [ 0.0001265300000000, -0.0006232300000000, -0.0001621900000000 ] - [ 0.0006168400000000, 0.0010401600000000, 0.0046422500000000 ] - [ 0.0000893300000000, -0.0005222600000000, -0.0002239900000000 ] - [ -0.0004042700000000, -0.0006108600000000, -0.0128206800000000 ] - [ 0.0003709900000000, -0.0001010400000000, -0.0001525700000000 ] - [ 0.0003612200000000, 0.0010247800000000, -0.0006125100000000 ] - [ 0.0002105600000000, 0.0000661600000000, -0.0001129400000000 ] - [ -0.0004989400000000, -0.0000591900000000, -0.0008138600000000 ] - [ 0.0007484000000000, -0.0001635700000000, -0.0004968800000000 ] - [ -0.0001374300000000, 0.0000385700000000, -0.0000223000000000 ] - [ -0.0003156600000000, 0.0001610700000000, -0.0005500700000000 ] - [ -0.0009093300000000, -0.0008220900000000, -0.0006112500000000 ] - [ -0.0000042100000000, 0.0000096200000000, -0.0001506300000000 ] - [ -0.0003355400000000, 0.0009849300000000, -0.0003745500000000 ] - [ -0.0000340000000000, 0.0001259200000000, -0.0000708900000000 ] - [ 0.0006630100000000, -0.0019410300000000, -0.0009103900000000 ] - [ 0.0000544300000000, -0.0000038400000000, 0.0000398700000000 ] - [ 0.0008243700000000, 0.0018190000000000, -0.0011289800000000 ] - [ 0.0000214000000000, 0.0001256700000000, 0.0000427000000000 ] - [ 0.0000609800000000, -0.0002172400000000, -0.0003898000000000 ] - [ -0.0007161600000000, -0.0014885700000000, 0.0000359600000000 ] - [ 0.0003068800000000, 0.0000829100000000, -0.0005502500000000 ] - [ -0.0013366800000000, 0.0011809900000000, -0.0005870800000000 ] - [ -0.0004410100000000, -0.0007693200000000, 0.0017045100000000 ] - [ -0.0001455700000000, -0.0002438500000000, 0.0005325500000000 ] - [ 0.0002670800000000, 0.0006585500000000, 0.0006531600000000 ] - [ -0.0001309100000000, 0.0001341800000000, 0.0004966400000000 ]- atom: 33 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ 0.0034077300000000, 0.0052884300000000, -0.0104867600000000 ] - [ -0.0000647500000000, -0.0001649100000000, 0.0000210900000000 ] - [ -0.0003470700000000, -0.0014578200000000, -0.0006703200000000 ] - [ 0.0000528900000000, -0.0001377900000000, 0.0000341400000000 ] - [ 0.0014312400000000, -0.0004706600000000, -0.0017088900000000 ] - [ -0.0010065100000000, -0.0002565000000000, -0.0001972900000000 ] - [ 0.0000054000000000, 0.0001192500000000, -0.0000707500000000 ] - [ -0.0001419400000000, 0.0000751800000000, -0.0003123800000000 ] - [ -0.0005546400000000, 0.0014381900000000, -0.0020128700000000 ] - [ 0.0002537100000000, 0.0004925900000000, 0.0005028900000000 ] - [ 0.0005107300000000, 0.0022515100000000, -0.0029534800000000 ] - [ 0.0003253300000000, 0.0004518700000000, 0.0005119400000000 ] - [ -0.0009053600000000, 0.0000760900000000, -0.0019801600000000 ] - [ -0.0007447200000000, -0.0003290800000000, -0.0010827700000000 ] - [ -0.0001119900000000, 0.0008228100000000, -0.0006968800000000 ] - [ -0.0002354400000000, 0.0006337900000000, -0.0006440000000000 ] - [ 0.0011293800000000, -0.0022726000000000, -0.0057368200000000 ] - [ 0.0007326700000000, -0.0001340200000000, -0.0002117400000000 ] - [ 0.0005588100000000, 0.0008177300000000, -0.0006662500000000 ] - [ 0.0008102000000000, 0.0000532700000000, -0.0001669500000000 ] - [ -0.0008419400000000, -0.0001613700000000, -0.0011240300000000 ] - [ -0.0012974000000000, 0.0003018600000000, -0.0000857900000000 ] - [ -0.0007131400000000, 0.0001632200000000, -0.0001887000000000 ] - [ -0.0006634900000000, 0.0001619300000000, -0.0000788400000000 ] - [ 0.0011403400000000, -0.0007544300000000, -0.0027543600000000 ] - [ -0.0005906300000000, -0.0000574100000000, -0.0003559000000000 ] - [ -0.0006282000000000, 0.0003977700000000, -0.0008697600000000 ] - [ -0.0002607500000000, 0.0000409800000000, -0.0002850800000000 ] - [ 0.0006861200000000, -0.0000979500000000, -0.0002938500000000 ] - [ -0.0023893900000000, -0.0001975400000000, -0.0021655600000000 ] - [ 0.0005124200000000, 0.0000904600000000, 0.0001974400000000 ] - [ 0.0006726200000000, 0.0002674300000000, -0.0000385100000000 ] - [ -0.0199187300000000, -0.1531892700000000, 0.2903319000000000 ] - [ -0.0000299100000000, -0.0000693500000000, 0.0003906000000000 ] - [ -0.0000974800000000, 0.0017219000000000, 0.0003604700000000 ] - [ -0.0000347400000000, 0.0000719900000000, 0.0002912500000000 ] - [ -0.0009310700000000, 0.0004089900000000, 0.0014677100000000 ] - [ 0.0000457000000000, 0.0002458500000000, 0.0001600500000000 ] - [ 0.0010446500000000, 0.0017579500000000, 0.0014747100000000 ] - [ -0.0001076800000000, 0.0000998200000000, 0.0001590600000000 ] - [ -0.0011370200000000, 0.0024609900000000, 0.0012801600000000 ] - [ -0.0009188500000000, 0.0002380700000000, -0.0000393800000000 ] - [ -0.0010502000000000, 0.0135601100000000, 0.0015541800000000 ] - [ -0.0008841400000000, 0.0001572500000000, -0.0000404100000000 ] - [ 0.0001000600000000, -0.0021736500000000, 0.0024203400000000 ] - [ 0.0015306000000000, 0.0003178400000000, 0.0006478800000000 ] - [ 0.0008592700000000, 0.0010197400000000, 0.0004240600000000 ] - [ 0.0010281400000000, 0.0001972900000000, 0.0003237200000000 ] - [ -0.0092808700000000, 0.0032004700000000, 0.0002151700000000 ] - [ 0.0005182900000000, -0.0004765100000000, -0.0000101700000000 ] - [ 0.0003717100000000, -0.0007742200000000, 0.0012706000000000 ] - [ 0.0002919900000000, -0.0004978800000000, 0.0000729700000000 ] - [ 0.0186974200000000, 0.0108369400000000, -0.0164846800000000 ] - [ -0.0001635900000000, -0.0005790100000000, 0.0001295400000000 ] - [ -0.0004740200000000, 0.0002661300000000, 0.0004162800000000 ] - [ -0.0000934000000000, -0.0004966300000000, 0.0000650500000000 ] - [ -0.0022146200000000, 0.0002060300000000, -0.0001163600000000 ] - [ 0.0007652300000000, 0.0004837700000000, 0.0003069300000000 ] - [ 0.0002522800000000, 0.0002938400000000, 0.0007553000000000 ] - [ 0.0005092600000000, -0.0001403200000000, 0.0002345700000000 ] - [ -0.0126859500000000, 0.0100263200000000, -0.0393742300000000 ] - [ 0.0000465000000000, 0.0003656800000000, -0.0000865200000000 ] - [ 0.0002132400000000, 0.0015542000000000, -0.0000185000000000 ] - [ 0.0000086800000000, 0.0004676900000000, -0.0001099200000000 ] - [ 0.0190385500000000, 0.1037803700000000, -0.2244679100000000 ] - [ 0.0000508300000000, 0.0004352200000000, -0.0002899900000000 ] - [ 0.0003730800000000, -0.0025217500000000, -0.0002805400000000 ] - [ 0.0000543400000000, 0.0002658100000000, -0.0001694300000000 ] - [ 0.0072058100000000, 0.0027190700000000, -0.0041742300000000 ] - [ -0.0008898700000000, 0.0000537700000000, -0.0005152600000000 ] - [ 0.0001012300000000, -0.0008453200000000, -0.0021874100000000 ] - [ -0.0004846000000000, 0.0002986900000000, -0.0006354200000000 ] - [ 0.0005629700000000, 0.0020876900000000, 0.0108606400000000 ] - [ 0.0000010100000000, -0.0000646000000000, 0.0007880500000000 ] - [ 0.0006861900000000, -0.0015672700000000, 0.0035763700000000 ] - [ -0.0003438900000000, -0.0001935300000000, 0.0007829800000000 ] - [ 0.0002109500000000, 0.0003848700000000, 0.0022365900000000 ] - [ 0.0024774600000000, 0.0003819900000000, -0.0002514100000000 ] - [ 0.0000658500000000, -0.0006236000000000, -0.0006537400000000 ] - [ -0.0000571900000000, -0.0004809100000000, -0.0001699300000000 ] - [ -0.0073269600000000, 0.0001124700000000, -0.0040491900000000 ] - [ 0.0002369500000000, -0.0003845500000000, -0.0005213100000000 ] - [ -0.0000643100000000, -0.0014289100000000, -0.0000824900000000 ] - [ 0.0000270300000000, -0.0006920800000000, 0.0000619000000000 ] - [ 0.0003104600000000, 0.0028193600000000, -0.0026392400000000 ] - [ -0.0001012900000000, -0.0005200900000000, -0.0003429300000000 ] - [ -0.0005943600000000, -0.0021811000000000, -0.0051523800000000 ] - [ -0.0000644000000000, -0.0006201500000000, -0.0002811500000000 ] - [ 0.0007850900000000, 0.0005880500000000, 0.0125693300000000 ] - [ 0.0000063100000000, 0.0000725700000000, -0.0000338000000000 ] - [ 0.0000152300000000, -0.0010519700000000, 0.0004383900000000 ] - [ 0.0001638500000000, -0.0000939700000000, -0.0000731600000000 ] - [ 0.0001222200000000, 0.0000284500000000, 0.0009918000000000 ] - [ -0.0011231900000000, 0.0001334800000000, 0.0006788000000000 ] - [ -0.0002359500000000, -0.0000604500000000, 0.0002061200000000 ] - [ -0.0000604400000000, -0.0001833300000000, 0.0007324100000000 ] - [ 0.0006510500000000, 0.0009154500000000, 0.0004479400000000 ] - [ -0.0001759400000000, 0.0001172700000000, 0.0000910000000000 ] - [ 0.0001553900000000, -0.0008523000000000, 0.0003099600000000 ] - [ -0.0001452000000000, 0.0000018500000000, 0.0000119600000000 ] - [ -0.0004834600000000, 0.0020566100000000, 0.0009774800000000 ] - [ 0.0001239200000000, 0.0001305400000000, 0.0000187000000000 ] - [ -0.0006459700000000, -0.0016810100000000, 0.0011884200000000 ] - [ 0.0001566700000000, 0.0000025800000000, 0.0000160000000000 ] - [ 0.0000525900000000, 0.0000907200000000, -0.0006127900000000 ] - [ 0.0008367300000000, 0.0013554400000000, -0.0010250900000000 ] - [ -0.0001915400000000, -0.0002064300000000, -0.0004533400000000 ] - [ 0.0014498900000000, -0.0012963300000000, -0.0004123700000000 ] - [ 0.0004082100000000, 0.0006244500000000, -0.0007351100000000 ] - [ 0.0000298800000000, 0.0001175100000000, 0.0004699500000000 ] - [ -0.0003780800000000, -0.0007809800000000, 0.0003472400000000 ] - [ 0.0000139700000000, -0.0002579800000000, 0.0005064800000000 ]- atom: 41 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0010933500000000, -0.0008603300000000, -0.0029691200000000 ] - [ 0.0006138100000000, -0.0001125800000000, -0.0002659800000000 ] - [ -0.0006427500000000, -0.0001481800000000, 0.0007654700000000 ] - [ 0.0004811500000000, -0.0001564600000000, -0.0002363800000000 ] - [ 0.0002362400000000, 0.0000144000000000, -0.0001454700000000 ] - [ 0.0005458600000000, -0.0010275500000000, 0.0003957300000000 ] - [ 0.0013672800000000, -0.0003138600000000, -0.0013347700000000 ] - [ 0.0007291300000000, 0.0002664400000000, 0.0003539000000000 ] - [ -0.0013378800000000, 0.0004427200000000, 0.0003820900000000 ] - [ 0.0009665100000000, 0.0003088800000000, 0.0006516700000000 ] - [ -0.0005512400000000, 0.0004421900000000, 0.0005745800000000 ] - [ 0.0008579000000000, 0.0002721300000000, 0.0006572200000000 ] - [ 0.0001315700000000, 0.0009293600000000, -0.0005919800000000 ] - [ -0.0000418800000000, 0.0000929100000000, -0.0004464600000000 ] - [ -0.0000553500000000, -0.0000159700000000, -0.0011300500000000 ] - [ 0.0001383500000000, 0.0008553100000000, -0.0002580600000000 ] - [ -0.0005998100000000, -0.0007696300000000, -0.0006581600000000 ] - [ 0.0014209000000000, 0.0002351200000000, -0.0001070700000000 ] - [ -0.0002984200000000, 0.0006716100000000, 0.0006430800000000 ] - [ 0.0013670000000000, 0.0001366200000000, -0.0001401900000000 ] - [ -0.0005814500000000, 0.0000453500000000, 0.0000247100000000 ] - [ -0.0005288400000000, -0.0002534000000000, 0.0003767700000000 ] - [ -0.0002685600000000, 0.0000390800000000, -0.0003617900000000 ] - [ -0.0002709100000000, 0.0001793200000000, 0.0003762700000000 ] - [ -0.0015271900000000, -0.0001958700000000, 0.0004230800000000 ] - [ 0.0006645300000000, 0.0000397900000000, -0.0003715200000000 ] - [ -0.0013873500000000, 0.0002614700000000, 0.0002032600000000 ] - [ 0.0004220400000000, -0.0000954400000000, -0.0003899300000000 ] - [ 0.0013347500000000, 0.0000857200000000, 0.0001363100000000 ] - [ 0.0002314200000000, -0.0002321800000000, 0.0003988900000000 ] - [ 0.0017451500000000, -0.0000167500000000, -0.0002810800000000 ] - [ 0.0009098000000000, 0.0002237700000000, 0.0004504500000000 ] - [ -0.0016852400000000, -0.0008427400000000, 0.0005076600000000 ] - [ 0.0004500000000000, -0.0000430800000000, 0.0002987100000000 ] - [ -0.0104607800000000, -0.0012479300000000, 0.0004042500000000 ] - [ 0.0004798500000000, 0.0000071000000000, 0.0002642300000000 ] - [ 0.0016281200000000, 0.0011649100000000, 0.0005323200000000 ] - [ 0.0012564900000000, -0.0000434900000000, -0.0009045900000000 ] - [ -0.0000074400000000, -0.0004776100000000, -0.0002399100000000 ] - [ 0.0003965800000000, 0.0000225100000000, -0.0004049200000000 ] - [ -0.0723595200000000, 0.0454231500000000, -0.0069637100000000 ] - [ -0.0003547600000000, 0.0002111300000000, -0.0000533600000000 ] - [ -0.0018297400000000, -0.0002602100000000, -0.0003263700000000 ] - [ -0.0004692500000000, 0.0001559700000000, -0.0000688400000000 ] - [ 0.0014261400000000, 0.0017388800000000, -0.0001270900000000 ] - [ 0.0014525900000000, -0.0001544200000000, -0.0000509700000000 ] - [ 0.0014328100000000, -0.0013950400000000, 0.0012666900000000 ] - [ 0.0014510200000000, 0.0006981900000000, -0.0000570900000000 ] - [ 0.0044476300000000, 0.0014746100000000, 0.0027634200000000 ] - [ 0.0014397700000000, -0.0006093200000000, -0.0003322200000000 ] - [ -0.0012328600000000, -0.0008218500000000, 0.0002240800000000 ] - [ 0.0009451400000000, -0.0004244900000000, -0.0001629700000000 ] - [ -0.0019953300000000, -0.0002774400000000, 0.0003884300000000 ] - [ 0.0010074600000000, -0.0006349900000000, -0.0001126300000000 ] - [ 0.0107187500000000, -0.0283287500000000, -0.0114611400000000 ] - [ 0.0012006800000000, -0.0005188500000000, -0.0001217200000000 ] - [ 0.0015258700000000, 0.0002882100000000, 0.0009349200000000 ] - [ 0.0008891500000000, 0.0000862100000000, -0.0000025600000000 ] - [ 0.0002119300000000, -0.0000942200000000, 0.0005584800000000 ] - [ 0.0003183500000000, 0.0004734500000000, 0.0002296000000000 ] - [ -0.0017339200000000, -0.0008330800000000, -0.0006560100000000 ] - [ 0.0006220800000000, 0.0005339100000000, 0.0001355900000000 ] - [ -0.0061951600000000, 0.0173444700000000, 0.0104604100000000 ] - [ 0.0007611000000000, 0.0005238400000000, 0.0001934100000000 ] - [ 0.0033997900000000, 0.0012120300000000, 0.0001144400000000 ] - [ -0.0013093400000000, 0.0003774100000000, -0.0000959700000000 ] - [ 0.0665813300000000, -0.0421998300000000, -0.0061685000000000 ] - [ -0.0015355900000000, 0.0002738000000000, -0.0000676000000000 ] - [ -0.0036762800000000, -0.0017257600000000, -0.0001865200000000 ] - [ -0.0019439700000000, 0.0011272500000000, 0.0009303400000000 ] - [ 0.0007738700000000, 0.0024061200000000, -0.0009534500000000 ] - [ -0.0010704800000000, -0.0001461500000000, 0.0004386500000000 ] - [ 0.0023615900000000, 0.0006058700000000, 0.0016927900000000 ] - [ -0.0016525200000000, -0.0001282500000000, 0.0009411000000000 ] - [ 0.0009907300000000, -0.0009841300000000, 0.0000065500000000 ] - [ -0.0013826200000000, -0.0000271100000000, 0.0008875200000000 ] - [ -0.0007156300000000, -0.0006176500000000, -0.0005639100000000 ] - [ 0.0000396700000000, 0.0005543200000000, -0.0016955500000000 ] - [ -0.0010692700000000, 0.0000548200000000, 0.0013624800000000 ] - [ -0.0009072800000000, -0.0007887600000000, -0.0014767600000000 ] - [ 0.0005376500000000, -0.0008988800000000, 0.0007268100000000 ] - [ -0.0009076700000000, -0.0002454800000000, 0.0003126900000000 ] - [ -0.0060144400000000, -0.0003312000000000, -0.0015181200000000 ] - [ -0.0012770400000000, -0.0010563200000000, 0.0003381700000000 ] - [ 0.0083427600000000, 0.0102584600000000, 0.0129280300000000 ] - [ -0.0010406400000000, -0.0005859300000000, -0.0002176100000000 ] - [ 0.0007810300000000, 0.0001595800000000, -0.0006110800000000 ] - [ -0.0007871300000000, -0.0005764800000000, -0.0001987900000000 ] - [ 0.0011123900000000, 0.0004568800000000, -0.0003208300000000 ] - [ -0.0005583600000000, -0.0000229400000000, -0.0002373400000000 ] - [ 0.0014944700000000, 0.0000491700000000, -0.0030391200000000 ] - [ -0.0008196900000000, 0.0000252500000000, -0.0002408000000000 ] - [ -0.0010530300000000, -0.0003305600000000, -0.0003664800000000 ] - [ -0.0005493800000000, 0.0002035600000000, -0.0000293700000000 ] - [ -0.0007369200000000, 0.0002581400000000, 0.0000672900000000 ] - [ -0.0000733200000000, -0.0001988100000000, -0.0000037700000000 ] - [ 0.0006185700000000, -0.0001997100000000, -0.0001599900000000 ] - [ -0.0005989100000000, 0.0001296700000000, -0.0000041600000000 ] - [ 0.0007330500000000, 0.0004188400000000, -0.0006143000000000 ] - [ -0.0006868100000000, -0.0000063200000000, -0.0000135200000000 ] - [ 0.0016992800000000, -0.0010221800000000, 0.0006977300000000 ] - [ -0.0006379600000000, 0.0001026700000000, -0.0000547200000000 ] - [ 0.0009745600000000, 0.0009795500000000, 0.0005568400000000 ] - [ -0.0004367100000000, 0.0000302700000000, 0.0000013000000000 ] - [ -0.0007059200000000, -0.0002269800000000, -0.0003897100000000 ] - [ 0.0031453900000000, -0.0002071000000000, 0.0002729100000000 ] - [ -0.0005087700000000, 0.0000977000000000, -0.0004941200000000 ] - [ 0.0000709100000000, -0.0005817400000000, -0.0003984800000000 ] - [ 0.0002247900000000, 0.0003978000000000, 0.0006508300000000 ] - [ -0.0005985600000000, -0.0001637300000000, 0.0004922200000000 ] - [ -0.0006113300000000, -0.0014268200000000, 0.0019996500000000 ] - [ -0.0007321600000000, 0.0000366100000000, 0.0004606700000000 ]- atom: 41 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0010939500000000, 0.0005624400000000, 0.0030445600000000 ] - [ -0.0006068000000000, -0.0001873300000000, 0.0003696900000000 ] - [ 0.0006425400000000, -0.0001629000000000, -0.0006502700000000 ] - [ -0.0004721200000000, -0.0001431400000000, 0.0003369900000000 ] - [ -0.0002446400000000, -0.0003158000000000, 0.0000449900000000 ] - [ -0.0005488500000000, 0.0007169400000000, -0.0004946200000000 ] - [ -0.0013707600000000, 0.0000144400000000, 0.0012273400000000 ] - [ -0.0007421300000000, -0.0005603700000000, -0.0004507900000000 ] - [ 0.0018967400000000, 0.0004168300000000, 0.0007459000000000 ] - [ -0.0003994900000000, 0.0005364200000000, 0.0004902100000000 ] - [ 0.0011204700000000, 0.0003922900000000, 0.0005737600000000 ] - [ -0.0002901000000000, 0.0005714200000000, 0.0004849200000000 ] - [ -0.0007029500000000, -0.0000874800000000, -0.0005497400000000 ] - [ -0.0005217900000000, 0.0007437800000000, -0.0006958900000000 ] - [ -0.0005080900000000, 0.0008591700000000, -0.0000116500000000 ] - [ -0.0007101100000000, -0.0000092400000000, -0.0008815500000000 ] - [ 0.0021085400000000, 0.0007860300000000, 0.0003897100000000 ] - [ 0.0000891900000000, -0.0002199100000000, -0.0001576200000000 ] - [ 0.0018048800000000, -0.0006602300000000, -0.0009101000000000 ] - [ 0.0001447500000000, -0.0001178700000000, -0.0001238700000000 ] - [ -0.0009267500000000, -0.0000289400000000, 0.0002389100000000 ] - [ -0.0009830600000000, 0.0002638900000000, -0.0001083700000000 ] - [ -0.0012424000000000, -0.0000209400000000, 0.0006270900000000 ] - [ -0.0012383000000000, -0.0001517400000000, -0.0001126000000000 ] - [ 0.0005915300000000, 0.0001845800000000, -0.0008723900000000 ] - [ -0.0015840600000000, -0.0000540900000000, -0.0000822300000000 ] - [ 0.0004567900000000, -0.0002776800000000, -0.0006541500000000 ] - [ -0.0013443000000000, 0.0000811500000000, -0.0000631600000000 ] - [ -0.0004128600000000, -0.0001004800000000, 0.0003159000000000 ] - [ 0.0006848400000000, 0.0002140900000000, 0.0000563000000000 ] - [ -0.0008218100000000, 0.0000031000000000, 0.0007332300000000 ] - [ -0.0000031900000000, -0.0002344100000000, 0.0000002500000000 ] - [ 0.0015575100000000, 0.0008502200000000, 0.0000528600000000 ] - [ -0.0005721300000000, 0.0000958500000000, 0.0002570500000000 ] - [ 0.0103851500000000, 0.0011179000000000, 0.0001846600000000 ] - [ -0.0006017200000000, 0.0000459700000000, 0.0002900000000000 ] - [ -0.0015162300000000, -0.0011033200000000, -0.0010875900000000 ] - [ -0.0011272900000000, 0.0000986900000000, 0.0003462200000000 ] - [ 0.0001329900000000, 0.0005268800000000, -0.0003204400000000 ] - [ -0.0002763800000000, 0.0000315500000000, -0.0001496800000000 ] - [ 0.0695384100000000, -0.0445927300000000, 0.0063806600000000 ] - [ -0.0015390600000000, 0.0001659400000000, -0.0001444200000000 ] - [ -0.0000604700000000, 0.0006047900000000, 0.0001252700000000 ] - [ -0.0014229600000000, 0.0002221100000000, -0.0001267900000000 ] - [ 0.0004635400000000, -0.0013643500000000, 0.0003246300000000 ] - [ 0.0004419000000000, 0.0005281600000000, 0.0002460500000000 ] - [ 0.0004660000000000, 0.0017735700000000, -0.0010699500000000 ] - [ 0.0004405600000000, -0.0003159700000000, 0.0002524100000000 ] - [ -0.0042336400000000, -0.0025628900000000, -0.0028344600000000 ] - [ -0.0012012700000000, -0.0004661800000000, 0.0002821700000000 ] - [ 0.0014860900000000, -0.0002624500000000, -0.0002701600000000 ] - [ -0.0007138900000000, -0.0006507100000000, 0.0001148800000000 ] - [ 0.0017612600000000, -0.0008064600000000, -0.0003400300000000 ] - [ -0.0012399500000000, -0.0004422600000000, 0.0001591800000000 ] - [ -0.0110973900000000, 0.0276185300000000, 0.0117457000000000 ] - [ -0.0014325400000000, -0.0005564100000000, 0.0001691800000000 ] - [ -0.0013985100000000, 0.0005005000000000, -0.0006385300000000 ] - [ -0.0007534200000000, 0.0007018400000000, 0.0003015500000000 ] - [ -0.0000722000000000, 0.0008800300000000, -0.0002535800000000 ] - [ -0.0001902700000000, 0.0003147400000000, 0.0000680100000000 ] - [ 0.0015969900000000, 0.0016074500000000, 0.0003580200000000 ] - [ -0.0007539200000000, 0.0002541500000000, -0.0004340500000000 ] - [ 0.0060232900000000, -0.0165531500000000, -0.0107385200000000 ] - [ -0.0008911100000000, 0.0002661200000000, -0.0004922500000000 ] - [ -0.0031783200000000, -0.0004371300000000, -0.0003205200000000 ] - [ 0.0015261900000000, 0.0003594500000000, -0.0001019400000000 ] - [ -0.0656969900000000, 0.0424036800000000, 0.0058720500000000 ] - [ 0.0017510300000000, 0.0004599400000000, -0.0001317000000000 ] - [ 0.0034680800000000, 0.0024690400000000, 0.0003931900000000 ] - [ 0.0017147600000000, -0.0003861600000000, -0.0007256200000000 ] - [ -0.0010157100000000, -0.0016679400000000, 0.0011618000000000 ] - [ 0.0008524600000000, 0.0008789600000000, -0.0002382600000000 ] - [ -0.0026987400000000, -0.0008803000000000, -0.0003530600000000 ] - [ 0.0012985100000000, -0.0001356200000000, 0.0003922800000000 ] - [ -0.0013368600000000, 0.0007297400000000, 0.0013088600000000 ] - [ 0.0010259800000000, -0.0002363100000000, 0.0004445100000000 ] - [ 0.0010649000000000, 0.0003584100000000, -0.0007694700000000 ] - [ 0.0003151800000000, -0.0008095600000000, 0.0003540600000000 ] - [ 0.0014202000000000, -0.0003262400000000, -0.0026915400000000 ] - [ 0.0012759600000000, 0.0005150500000000, 0.0001376600000000 ] - [ -0.0005665900000000, -0.0002323500000000, -0.0002231700000000 ] - [ 0.0008753200000000, -0.0008873200000000, 0.0001916100000000 ] - [ 0.0059769900000000, -0.0008227500000000, 0.0020197000000000 ] - [ 0.0012455000000000, -0.0000883000000000, 0.0001628500000000 ] - [ -0.0079935800000000, -0.0113629800000000, -0.0133475000000000 ] - [ 0.0010657300000000, -0.0005552600000000, -0.0002862200000000 ] - [ -0.0007626300000000, -0.0012358100000000, 0.0000902300000000 ] - [ 0.0008140300000000, -0.0005652400000000, -0.0003041900000000 ] - [ -0.0007340100000000, -0.0004754500000000, 0.0001315000000000 ] - [ 0.0009314600000000, -0.0000032800000000, 0.0000515500000000 ] - [ -0.0011121900000000, -0.0000900500000000, 0.0029011500000000 ] - [ 0.0011918400000000, -0.0000531300000000, 0.0000550000000000 ] - [ 0.0006770700000000, 0.0003040000000000, 0.0005528000000000 ] - [ 0.0001752600000000, -0.0002306300000000, 0.0002142800000000 ] - [ 0.0003587800000000, -0.0002831300000000, 0.0001145700000000 ] - [ -0.0002945600000000, 0.0001754500000000, 0.0001896800000000 ] - [ -0.0007981000000000, 0.0003330200000000, 0.0001000300000000 ] - [ 0.0004192100000000, 0.0000000700000000, -0.0000555100000000 ] - [ -0.0009170500000000, -0.0002980700000000, 0.0005521100000000 ] - [ 0.0005073400000000, 0.0001341400000000, -0.0000457300000000 ] - [ -0.0015523400000000, 0.0011285600000000, -0.0006043600000000 ] - [ 0.0008129000000000, 0.0000262600000000, 0.0001136600000000 ] - [ -0.0008032200000000, -0.0008441000000000, -0.0004934800000000 ] - [ 0.0006137600000000, 0.0000990200000000, 0.0000582000000000 ] - [ 0.0008200800000000, 0.0001024600000000, -0.0006138400000000 ] - [ -0.0028325100000000, -0.0000094600000000, -0.0011820500000000 ] - [ 0.0006211100000000, -0.0002211800000000, -0.0005086700000000 ] - [ 0.0000544800000000, 0.0004666800000000, -0.0006040500000000 ] - [ -0.0003389400000000, -0.0005147500000000, 0.0003546600000000 ] - [ 0.0004817700000000, 0.0000409900000000, 0.0005107300000000 ] - [ 0.0005029000000000, 0.0012875900000000, -0.0009890500000000 ] - [ 0.0006145800000000, -0.0001621200000000, 0.0005423600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023375600000000, -0.0003301200000000, 0.0118530200000000 ] - [ 0.0000751200000000, -0.0002472600000000, 0.0000316400000000 ] - [ 0.0011468600000000, 0.0024905200000000, -0.0022663800000000 ] - [ -0.0000993500000000, -0.0000616200000000, 0.0000153400000000 ] - [ 0.0003674700000000, 0.0003766400000000, -0.0002648800000000 ] - [ -0.0005165000000000, 0.0007256600000000, -0.0001439100000000 ] - [ -0.0015279900000000, -0.0007021300000000, 0.0015243700000000 ] - [ 0.0010194400000000, -0.0008257600000000, -0.0000242300000000 ] - [ 0.0009134300000000, -0.0042469500000000, 0.0037126100000000 ] - [ 0.0003081900000000, 0.0001107400000000, 0.0006866700000000 ] - [ 0.0000706500000000, 0.0031345800000000, -0.0005546000000000 ] - [ 0.0001819100000000, 0.0005997400000000, 0.0005507300000000 ] - [ 0.0005420100000000, 0.0011602000000000, -0.0004640600000000 ] - [ -0.0006074000000000, 0.0006614100000000, -0.0005959700000000 ] - [ -0.0008941200000000, 0.0000737400000000, -0.0002813700000000 ] - [ 0.0003002300000000, 0.0003990200000000, -0.0005605000000000 ] - [ 0.0008587100000000, 0.0006298900000000, 0.0010283400000000 ] - [ 0.0007670700000000, 0.0000705700000000, -0.0000935500000000 ] - [ 0.0010024000000000, 0.0019494000000000, 0.0014370400000000 ] - [ 0.0006719500000000, 0.0000897800000000, -0.0000886900000000 ] - [ -0.0010541200000000, 0.0013208500000000, 0.0000507600000000 ] - [ -0.0009735100000000, 0.0010383000000000, -0.0001355400000000 ] - [ -0.0005068900000000, -0.0016407000000000, 0.0006607300000000 ] - [ -0.0002836300000000, -0.0012695100000000, 0.0002566200000000 ] - [ -0.0020554500000000, -0.0003542800000000, 0.0014492900000000 ] - [ -0.0002767800000000, -0.0001412300000000, -0.0000934900000000 ] - [ 0.0006059600000000, 0.0007535900000000, -0.0003542200000000 ] - [ -0.0009063900000000, 0.0001415500000000, -0.0002054200000000 ] - [ 0.0008170200000000, 0.0003762400000000, 0.0000923900000000 ] - [ -0.0001187000000000, 0.0007600900000000, 0.0000896400000000 ] - [ -0.0000289000000000, -0.0004130800000000, 0.0007778200000000 ] - [ 0.0029291800000000, -0.0009140900000000, 0.0009889900000000 ] - [ 0.0006544800000000, 0.0148148900000000, -0.0020503700000000 ] - [ -0.0001101400000000, 0.0001131700000000, 0.0002409700000000 ] - [ -0.0049332100000000, 0.0362193700000000, -0.0133264200000000 ] - [ -0.0001070400000000, -0.0001017600000000, 0.0003213600000000 ] - [ 0.0012352400000000, -0.0032197300000000, -0.0026611800000000 ] - [ -0.0005832800000000, -0.0005265400000000, -0.0001637800000000 ] - [ -0.0004109000000000, 0.0017856000000000, 0.0005418400000000 ] - [ 0.0003581500000000, 0.0004298300000000, -0.0002808000000000 ] - [ 0.0463195800000000, -0.3942819700000000, -0.1000101900000000 ] - [ -0.0009783300000000, -0.0000524100000000, -0.0001687300000000 ] - [ -0.0014331400000000, 0.0096576500000000, -0.0000247300000000 ] - [ -0.0010353900000000, 0.0005025200000000, -0.0000357500000000 ] - [ 0.0025883500000000, 0.0012711000000000, -0.0009148400000000 ] - [ 0.0004947900000000, 0.0003171900000000, 0.0001022900000000 ] - [ -0.0005537600000000, 0.0012636600000000, -0.0008575000000000 ] - [ 0.0013426500000000, 0.0003171000000000, 0.0000397200000000 ] - [ 0.0106188000000000, 0.0006838200000000, 0.0034824100000000 ] - [ -0.0004954900000000, -0.0005910500000000, 0.0001246100000000 ] - [ -0.0030125600000000, 0.0015340000000000, -0.0004875400000000 ] - [ 0.0003078700000000, -0.0004427800000000, -0.0000888800000000 ] - [ 0.0016909400000000, 0.0021832200000000, -0.0014078000000000 ] - [ -0.0002653700000000, -0.0003859000000000, 0.0000398000000000 ] - [ -0.0199386100000000, 0.0115523500000000, 0.0074921500000000 ] - [ -0.0000424300000000, -0.0007129800000000, -0.0000300300000000 ] - [ 0.0028513200000000, -0.0005107900000000, 0.0005019700000000 ] - [ -0.0005100500000000, 0.0000456000000000, 0.0002475500000000 ] - [ -0.0011341000000000, 0.0012162500000000, -0.0003972700000000 ] - [ 0.0003495100000000, 0.0007488500000000, 0.0002733300000000 ] - [ -0.0004071200000000, 0.0044593800000000, -0.0020540100000000 ] - [ -0.0001033700000000, 0.0004750700000000, -0.0001815800000000 ] - [ 0.0080454900000000, 0.0263172200000000, 0.0216344900000000 ] - [ -0.0002815900000000, 0.0002572900000000, -0.0002767000000000 ] - [ -0.0010037400000000, -0.0129099400000000, 0.0086173700000000 ] - [ 0.0002727500000000, -0.0000084500000000, -0.0001146100000000 ] - [ -0.0449878400000000, 0.2846474200000000, 0.0460339200000000 ] - [ 0.0002397100000000, 0.0007824000000000, 0.0000208400000000 ] - [ -0.0093468000000000, 0.0007369100000000, 0.0053889600000000 ] - [ 0.0008389100000000, 0.0003484900000000, -0.0000961200000000 ] - [ 0.0028315700000000, -0.0018527000000000, -0.0009136200000000 ] - [ -0.0005461800000000, 0.0000327600000000, 0.0001328300000000 ] - [ -0.0020150100000000, 0.0017798300000000, -0.0066664000000000 ] - [ -0.0004320700000000, 0.0000890700000000, 0.0005716000000000 ] - [ -0.0008018100000000, -0.0037481000000000, 0.0028401500000000 ] - [ 0.0002223500000000, -0.0003657800000000, 0.0006195600000000 ] - [ -0.0002109000000000, -0.0020123800000000, -0.0004588800000000 ] - [ 0.0011240800000000, -0.0014114400000000, -0.0003182800000000 ] - [ 0.0007669700000000, 0.0017814600000000, -0.0028685600000000 ] - [ -0.0023862700000000, 0.0011106300000000, -0.0005151600000000 ] - [ -0.0014949200000000, -0.0026535500000000, 0.0002849700000000 ] - [ 0.0003434700000000, -0.0013118900000000, 0.0001551100000000 ] - [ 0.0074394100000000, 0.0032307800000000, 0.0028758400000000 ] - [ -0.0003231700000000, 0.0003425300000000, 0.0005686800000000 ] - [ 0.0089478600000000, 0.0222359200000000, 0.0212104700000000 ] - [ 0.0002176100000000, -0.0005176100000000, -0.0001445700000000 ] - [ 0.0014008100000000, -0.0127759900000000, 0.0019998800000000 ] - [ -0.0000149800000000, -0.0006317300000000, -0.0003227800000000 ] - [ 0.0005146300000000, -0.0026281500000000, 0.0015957200000000 ] - [ 0.0000805600000000, -0.0001817800000000, -0.0000866200000000 ] - [ -0.0011213500000000, 0.0045458800000000, -0.0097413500000000 ] - [ 0.0005284800000000, 0.0001463800000000, -0.0001179100000000 ] - [ -0.0007738700000000, 0.0006400800000000, -0.0008920300000000 ] - [ 0.0010847800000000, 0.0007086500000000, 0.0000480500000000 ] - [ 0.0002438700000000, -0.0006275800000000, 0.0005347900000000 ] - [ -0.0011227100000000, -0.0007120100000000, 0.0000044100000000 ] - [ -0.0006566200000000, -0.0017446700000000, -0.0006824000000000 ] - [ 0.0000168300000000, -0.0001162500000000, -0.0000328000000000 ] - [ 0.0006454800000000, 0.0022799000000000, 0.0005503700000000 ] - [ -0.0001326600000000, 0.0002548000000000, -0.0000845100000000 ] - [ -0.0014372400000000, 0.0021570100000000, 0.0012890900000000 ] - [ 0.0002855500000000, 0.0001827300000000, 0.0000803700000000 ] - [ 0.0011034000000000, -0.0025215300000000, -0.0008914800000000 ] - [ 0.0000126400000000, -0.0000662500000000, 0.0000348200000000 ] - [ -0.0000901100000000, 0.0002111000000000, -0.0003954000000000 ] - [ 0.0007189700000000, 0.0019809000000000, -0.0000491800000000 ] - [ 0.0003647600000000, -0.0003622800000000, -0.0005644100000000 ] - [ -0.0015345700000000, -0.0023248300000000, -0.0005811700000000 ] - [ 0.0009072000000000, -0.0016312500000000, -0.0001583200000000 ] - [ -0.0002022200000000, -0.0004332200000000, 0.0004555100000000 ] - [ -0.0015561900000000, 0.0019279500000000, 0.0015176100000000 ] - [ 0.0001269800000000, 0.0003407800000000, 0.0005620400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023521000000000, 0.0000679300000000, -0.0117129300000000 ] - [ -0.0000534100000000, -0.0000461300000000, 0.0000648500000000 ] - [ -0.0011139300000000, -0.0027693800000000, 0.0023398700000000 ] - [ 0.0001202500000000, -0.0002321800000000, 0.0000797200000000 ] - [ -0.0003877600000000, -0.0006682000000000, 0.0001704100000000 ] - [ 0.0004957800000000, -0.0010132700000000, 0.0000446500000000 ] - [ 0.0015029900000000, 0.0004062200000000, -0.0016183600000000 ] - [ -0.0010357900000000, 0.0005283300000000, -0.0000752700000000 ] - [ -0.0003619500000000, 0.0050571700000000, -0.0025574400000000 ] - [ 0.0002483800000000, 0.0007190600000000, 0.0004611100000000 ] - [ 0.0004808100000000, -0.0022991000000000, 0.0016989800000000 ] - [ 0.0003754800000000, 0.0002292100000000, 0.0005973100000000 ] - [ -0.0010948100000000, -0.0003285500000000, -0.0006832000000000 ] - [ 0.0000500100000000, 0.0001720700000000, -0.0005489800000000 ] - [ 0.0003371000000000, 0.0007502400000000, -0.0008669200000000 ] - [ -0.0008538900000000, 0.0004286700000000, -0.0005871300000000 ] - [ 0.0006444100000000, -0.0005780000000000, -0.0012725300000000 ] - [ 0.0007373800000000, -0.0000347000000000, -0.0001656800000000 ] - [ 0.0004959700000000, -0.0019062400000000, -0.0016866900000000 ] - [ 0.0008327700000000, -0.0000521900000000, -0.0001702500000000 ] - [ -0.0004495500000000, -0.0012786700000000, 0.0002077100000000 ] - [ -0.0005300200000000, -0.0009980300000000, 0.0003946200000000 ] - [ -0.0009951900000000, 0.0016762500000000, -0.0004002600000000 ] - [ -0.0012187600000000, 0.0013026300000000, 0.0000045200000000 ] - [ 0.0011034100000000, 0.0003421100000000, -0.0018903900000000 ] - [ -0.0006656000000000, 0.0001282400000000, -0.0003566100000000 ] - [ -0.0015430600000000, -0.0007663100000000, -0.0000970700000000 ] - [ -0.0000402600000000, -0.0001548800000000, -0.0002452500000000 ] - [ 0.0001282600000000, -0.0003887100000000, 0.0003585200000000 ] - [ 0.0010645300000000, -0.0007696600000000, 0.0003626000000000 ] - [ 0.0009718100000000, 0.0003975200000000, -0.0003246700000000 ] - [ -0.0019737300000000, 0.0008949800000000, -0.0005288100000000 ] - [ -0.0007671200000000, -0.0148728200000000, 0.0025747500000000 ] - [ -0.0000064800000000, -0.0000764700000000, 0.0003128700000000 ] - [ 0.0047040800000000, -0.0354600700000000, 0.0135393900000000 ] - [ -0.0000091900000000, 0.0001368800000000, 0.0002329200000000 ] - [ -0.0011072300000000, 0.0032482400000000, 0.0020973000000000 ] - [ 0.0006966200000000, 0.0005651900000000, -0.0003890300000000 ] - [ 0.0005232700000000, -0.0017456600000000, -0.0010941900000000 ] - [ -0.0002376900000000, -0.0003926300000000, -0.0002748700000000 ] - [ -0.0434977300000000, 0.3756014100000000, 0.0973618800000000 ] - [ -0.0009051100000000, 0.0004364000000000, -0.0000128700000000 ] - [ -0.0004481700000000, -0.0092598000000000, -0.0001465900000000 ] - [ -0.0008479000000000, -0.0001166200000000, -0.0001440000000000 ] - [ -0.0006960800000000, -0.0008720100000000, 0.0010867100000000 ] - [ 0.0013888200000000, 0.0000690900000000, 0.0000783700000000 ] - [ 0.0024309200000000, -0.0008816200000000, 0.0010368200000000 ] - [ 0.0005421200000000, 0.0000658400000000, 0.0001405300000000 ] - [ -0.0103538400000000, -0.0017291500000000, -0.0035570400000000 ] - [ 0.0007007800000000, -0.0004817600000000, -0.0001812200000000 ] - [ 0.0031839300000000, -0.0025970900000000, 0.0004246900000000 ] - [ -0.0001007000000000, -0.0006323400000000, 0.0000320100000000 ] - [ -0.0019084800000000, -0.0032534300000000, 0.0014682000000000 ] - [ 0.0000599300000000, -0.0006893100000000, 0.0000160300000000 ] - [ 0.0194917000000000, -0.0125821500000000, -0.0073215900000000 ] - [ -0.0001629900000000, -0.0003624100000000, 0.0000853600000000 ] - [ -0.0026995400000000, 0.0012997100000000, -0.0001837600000000 ] - [ 0.0006401600000000, 0.0007467100000000, 0.0000667100000000 ] - [ 0.0012624000000000, -0.0004249700000000, 0.0007096100000000 ] - [ -0.0002104400000000, 0.0000401700000000, 0.0000431400000000 ] - [ 0.0002780500000000, -0.0036723100000000, 0.0017491200000000 ] - [ -0.0000321900000000, 0.0003152200000000, -0.0001337600000000 ] - [ -0.0079612900000000, -0.0250319000000000, -0.0214788100000000 ] - [ 0.0001468300000000, 0.0005337400000000, -0.0000392300000000 ] - [ 0.0012260000000000, 0.0136376900000000, -0.0088080300000000 ] - [ -0.0000567600000000, 0.0007440700000000, -0.0000818600000000 ] - [ 0.0410684900000000, -0.2651664400000000, -0.0423610800000000 ] - [ -0.0000240100000000, -0.0000439200000000, -0.0002183500000000 ] - [ 0.0090683900000000, -0.0000140700000000, -0.0051594500000000 ] - [ -0.0010489400000000, 0.0003831400000000, 0.0002933200000000 ] - [ -0.0030218500000000, 0.0025914500000000, 0.0011041400000000 ] - [ 0.0003268700000000, 0.0007081900000000, 0.0000649700000000 ] - [ 0.0016539800000000, -0.0020492700000000, 0.0079328500000000 ] - [ 0.0000779800000000, -0.0003522200000000, 0.0007597800000000 ] - [ 0.0004463900000000, 0.0034744600000000, -0.0014938700000000 ] - [ -0.0005738600000000, 0.0001018400000000, 0.0007110600000000 ] - [ 0.0005626600000000, 0.0017401200000000, -0.0008755500000000 ] - [ -0.0007715300000000, 0.0011394500000000, -0.0010103400000000 ] - [ -0.0004097500000000, -0.0020398000000000, 0.0015341600000000 ] - [ 0.0027324000000000, -0.0013699500000000, -0.0008138700000000 ] - [ 0.0014732700000000, 0.0015072100000000, 0.0002225500000000 ] - [ -0.0003722400000000, 0.0001712700000000, 0.0003487300000000 ] - [ -0.0074567300000000, -0.0043450800000000, -0.0023630500000000 ] - [ 0.0002948300000000, -0.0014755800000000, -0.0000629400000000 ] - [ -0.0094240600000000, -0.0243304600000000, -0.0233465900000000 ] - [ -0.0001888200000000, -0.0006237500000000, -0.0003594300000000 ] - [ -0.0013579900000000, 0.0115715000000000, -0.0024966200000000 ] - [ 0.0000428200000000, -0.0005090500000000, -0.0001819700000000 ] - [ -0.0001456000000000, 0.0025874700000000, -0.0017885100000000 ] - [ 0.0002898800000000, 0.0001535800000000, -0.0000969200000000 ] - [ 0.0014894900000000, -0.0045278100000000, 0.0095075800000000 ] - [ -0.0001571200000000, -0.0001733100000000, -0.0000656200000000 ] - [ 0.0004019400000000, -0.0006651600000000, 0.0010682000000000 ] - [ -0.0014474600000000, -0.0007332800000000, 0.0001333400000000 ] - [ -0.0006108800000000, 0.0006009100000000, -0.0003488800000000 ] - [ 0.0007457200000000, 0.0006853700000000, 0.0001775600000000 ] - [ 0.0004790500000000, 0.0018623500000000, 0.0006216400000000 ] - [ -0.0001954800000000, 0.0002441200000000, -0.0000277800000000 ] - [ -0.0008213100000000, -0.0021334800000000, -0.0006120700000000 ] - [ -0.0000459500000000, -0.0001246500000000, 0.0000237200000000 ] - [ 0.0015914100000000, -0.0020460800000000, -0.0012049700000000 ] - [ -0.0001067400000000, -0.0000533000000000, -0.0000199000000000 ] - [ -0.0009163800000000, 0.0026437000000000, 0.0009465000000000 ] - [ 0.0001650200000000, 0.0001952700000000, 0.0000254600000000 ] - [ 0.0002034900000000, -0.0003349200000000, -0.0006076600000000 ] - [ -0.0005638500000000, -0.0021205300000000, -0.0009351700000000 ] - [ -0.0002485600000000, 0.0002379600000000, -0.0004401200000000 ] - [ 0.0016371300000000, 0.0021927400000000, -0.0004236200000000 ] - [ -0.0010231700000000, 0.0015007300000000, 0.0011645800000000 ] - [ 0.0000869900000000, 0.0003069600000000, 0.0005480100000000 ] - [ 0.0014453300000000, -0.0020276100000000, -0.0005218900000000 ] - [ -0.0002416600000000, -0.0004623600000000, 0.0004420800000000 ]- atom: 41 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ -0.0030232400000000, 0.0023562400000000, 0.0153064600000000 ] - [ 0.0001015000000000, -0.0001594300000000, 0.0002041400000000 ] - [ -0.0003054700000000, -0.0002325200000000, 0.0021895300000000 ] - [ 0.0000399800000000, -0.0001000300000000, 0.0001864300000000 ] - [ 0.0000307800000000, -0.0001584500000000, -0.0003766100000000 ] - [ 0.0001185200000000, -0.0003354900000000, 0.0001404400000000 ] - [ -0.0008115700000000, -0.0002256700000000, 0.0006123800000000 ] - [ 0.0006778400000000, -0.0001661900000000, 0.0000382900000000 ] - [ 0.0013841600000000, -0.0019254800000000, 0.0053542500000000 ] - [ 0.0003157500000000, 0.0003903300000000, 0.0006008900000000 ] - [ 0.0003339900000000, 0.0010395200000000, 0.0010348200000000 ] - [ 0.0002808900000000, 0.0005221300000000, 0.0005509800000000 ] - [ -0.0005093400000000, 0.0002840800000000, -0.0000500100000000 ] - [ -0.0003755800000000, 0.0005869900000000, -0.0003176500000000 ] - [ -0.0002479300000000, 0.0006414500000000, -0.0000458000000000 ] - [ 0.0000177800000000, 0.0007469200000000, -0.0002691100000000 ] - [ 0.0014678700000000, 0.0006494500000000, 0.0022704400000000 ] - [ 0.0007793500000000, -0.0000501600000000, -0.0001203000000000 ] - [ 0.0006623800000000, 0.0011627400000000, 0.0017173500000000 ] - [ 0.0007519400000000, -0.0000118200000000, -0.0001168800000000 ] - [ -0.0007958500000000, 0.0001290500000000, 0.0002699200000000 ] - [ -0.0007915600000000, 0.0000607900000000, 0.0003015200000000 ] - [ -0.0010512600000000, -0.0001434600000000, 0.0008442800000000 ] - [ -0.0004733700000000, -0.0004916900000000, 0.0004624400000000 ] - [ -0.0018063500000000, -0.0001427000000000, 0.0030063700000000 ] - [ -0.0002901600000000, -0.0000539900000000, -0.0001361200000000 ] - [ -0.0005325900000000, 0.0004061100000000, 0.0005276300000000 ] - [ -0.0004049200000000, 0.0000416400000000, -0.0001931700000000 ] - [ 0.0003402800000000, 0.0000137400000000, 0.0002175100000000 ] - [ 0.0000425500000000, 0.0001678000000000, 0.0005060600000000 ] - [ 0.0000552100000000, -0.0000336400000000, 0.0005623000000000 ] - [ 0.0015495300000000, -0.0001945900000000, 0.0012381800000000 ] - [ 0.0004445300000000, 0.0040903600000000, -0.0011683200000000 ] - [ -0.0000118200000000, 0.0000934900000000, 0.0001814100000000 ] - [ 0.0023707900000000, -0.0256207900000000, -0.0014171100000000 ] - [ -0.0000233300000000, 0.0000663800000000, 0.0001813600000000 ] - [ 0.0004227800000000, -0.0015418500000000, -0.0025609200000000 ] - [ 0.0002054300000000, -0.0000474400000000, -0.0007858500000000 ] - [ 0.0002236600000000, 0.0004427900000000, -0.0005653100000000 ] - [ 0.0001751800000000, 0.0000498200000000, -0.0004627000000000 ] - [ -0.0071580100000000, -0.0974827900000000, -0.1153121600000000 ] - [ -0.0008945900000000, 0.0000433800000000, -0.0001746200000000 ] - [ -0.0011624700000000, 0.0001674300000000, -0.0016478900000000 ] - [ -0.0009120600000000, 0.0001733200000000, -0.0001356600000000 ] - [ 0.0021001200000000, 0.0010587900000000, -0.0009802800000000 ] - [ 0.0007828500000000, 0.0001724100000000, -0.0001331000000000 ] - [ 0.0007120900000000, 0.0011268000000000, -0.0009879100000000 ] - [ 0.0007878700000000, 0.0001073400000000, -0.0001329900000000 ] - [ 0.0093118500000000, 0.0020444500000000, 0.0016705100000000 ] - [ -0.0000215200000000, -0.0005642700000000, -0.0001638100000000 ] - [ 0.0018259000000000, -0.0007576000000000, -0.0000314300000000 ] - [ 0.0001340300000000, -0.0005385900000000, -0.0000806900000000 ] - [ 0.0004906800000000, -0.0006280800000000, -0.0011968900000000 ] - [ -0.0000961800000000, -0.0005140100000000, -0.0000058800000000 ] - [ -0.0150345400000000, 0.0142994500000000, -0.0047709100000000 ] - [ -0.0000279100000000, -0.0005543600000000, -0.0000324400000000 ] - [ 0.0020748800000000, -0.0001572500000000, 0.0002012700000000 ] - [ -0.0006552800000000, 0.0005409200000000, -0.0000715800000000 ] - [ 0.0004058900000000, 0.0007153500000000, 0.0000702300000000 ] - [ -0.0001740800000000, 0.0004822400000000, 0.0000971900000000 ] - [ -0.0006836000000000, -0.0004490200000000, -0.0013933000000000 ] - [ 0.0000016800000000, 0.0004249300000000, -0.0001243000000000 ] - [ 0.0066936100000000, 0.0284593000000000, 0.0064235900000000 ] - [ -0.0000638700000000, 0.0003824900000000, -0.0001540200000000 ] - [ -0.0000223500000000, -0.0009196300000000, 0.0051898900000000 ] - [ 0.0000132900000000, 0.0002965200000000, -0.0000264700000000 ] - [ -0.0055847000000000, 0.0426620400000000, 0.0633285300000000 ] - [ 0.0000138500000000, 0.0004709200000000, 0.0000356400000000 ] - [ -0.0070802500000000, 0.0007765400000000, 0.0054062000000000 ] - [ 0.0004392500000000, 0.0003785500000000, 0.0009971700000000 ] - [ -0.0016811900000000, -0.0009324800000000, 0.0010808600000000 ] - [ 0.0000443100000000, 0.0004486500000000, 0.0004352700000000 ] - [ -0.0027995500000000, 0.0013369100000000, -0.0102654400000000 ] - [ -0.0003361300000000, -0.0000572800000000, 0.0005313800000000 ] - [ -0.0004610500000000, -0.0018770800000000, -0.0017004700000000 ] - [ -0.0001823500000000, -0.0002086700000000, 0.0005747800000000 ] - [ 0.0002931300000000, -0.0001346800000000, -0.0004867600000000 ] - [ 0.0004920100000000, -0.0002739200000000, -0.0013414200000000 ] - [ 0.0004338000000000, -0.0001482800000000, -0.0018806600000000 ] - [ -0.0010611200000000, -0.0000426700000000, -0.0012112900000000 ] - [ -0.0001813200000000, -0.0010107600000000, 0.0009091200000000 ] - [ -0.0001100500000000, -0.0006439900000000, 0.0004387400000000 ] - [ 0.0038346200000000, 0.0008598700000000, 0.0024868200000000 ] - [ -0.0002887900000000, -0.0005371900000000, 0.0006748600000000 ] - [ 0.0126257000000000, 0.0269708400000000, 0.0365898300000000 ] - [ 0.0000025400000000, -0.0005438300000000, -0.0001897000000000 ] - [ -0.0007514000000000, 0.0026982200000000, -0.0012994500000000 ] - [ -0.0000051400000000, -0.0005971700000000, -0.0002341700000000 ] - [ 0.0004209200000000, -0.0003918300000000, -0.0004849000000000 ] - [ 0.0001557000000000, -0.0000503900000000, -0.0001025900000000 ] - [ -0.0006912000000000, 0.0004311400000000, -0.0071352000000000 ] - [ 0.0003188300000000, 0.0000163200000000, -0.0001175300000000 ] - [ -0.0002925200000000, 0.0001277100000000, -0.0009805600000000 ] - [ 0.0005776700000000, 0.0002137700000000, -0.0003972600000000 ] - [ -0.0001890600000000, -0.0002006300000000, -0.0001453400000000 ] - [ -0.0001582000000000, -0.0002064100000000, -0.0002182200000000 ] - [ -0.0004095400000000, -0.0004974600000000, -0.0006543600000000 ] - [ -0.0000772000000000, 0.0000355200000000, -0.0000464500000000 ] - [ -0.0008703900000000, 0.0008461900000000, -0.0014745000000000 ] - [ -0.0000970600000000, 0.0001006100000000, -0.0000838100000000 ] - [ 0.0007546900000000, 0.0013801800000000, 0.0000566100000000 ] - [ 0.0000011000000000, 0.0001089000000000, 0.0000101200000000 ] - [ 0.0004853300000000, -0.0010412400000000, -0.0002511700000000 ] - [ 0.0000080900000000, 0.0000152300000000, 0.0000250900000000 ] - [ 0.0000750200000000, 0.0000476700000000, -0.0003906900000000 ] - [ 0.0010699800000000, 0.0001374300000000, 0.0010483700000000 ] - [ 0.0001131500000000, -0.0001845200000000, -0.0004640900000000 ] - [ -0.0004929900000000, -0.0010454400000000, -0.0001539500000000 ] - [ 0.0005837300000000, -0.0005651800000000, 0.0003870200000000 ] - [ -0.0002304300000000, -0.0001711700000000, 0.0004412800000000 ] - [ 0.0016405400000000, 0.0009901200000000, -0.0002694300000000 ] - [ -0.0001189800000000, 0.0000730100000000, 0.0005058500000000 ]- atom: 41 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ 0.0031135600000000, -0.0026804900000000, -0.0152556100000000 ] - [ -0.0000808200000000, -0.0001266200000000, 0.0000060700000000 ] - [ 0.0003191700000000, -0.0000644700000000, -0.0019623400000000 ] - [ -0.0000182300000000, -0.0001865300000000, 0.0000241300000000 ] - [ -0.0000524400000000, -0.0001304700000000, 0.0001657700000000 ] - [ -0.0001381600000000, 0.0000472900000000, -0.0003526000000000 ] - [ 0.0007981900000000, -0.0000582600000000, -0.0008329200000000 ] - [ -0.0007018100000000, -0.0001172800000000, -0.0002529300000000 ] - [ -0.0008281100000000, 0.0028579100000000, -0.0042618000000000 ] - [ 0.0002411200000000, 0.0005231700000000, 0.0004990000000000 ] - [ 0.0002217200000000, -0.0001373800000000, 0.0000698400000000 ] - [ 0.0002775500000000, 0.0003887800000000, 0.0005498400000000 ] - [ -0.0000533200000000, 0.0006237900000000, -0.0010492400000000 ] - [ -0.0001800400000000, 0.0003236100000000, -0.0007818700000000 ] - [ -0.0003057900000000, 0.0002728000000000, -0.0010557500000000 ] - [ -0.0005759400000000, 0.0001665700000000, -0.0008297500000000 ] - [ 0.0000329100000000, -0.0007115800000000, -0.0025759200000000 ] - [ 0.0007270000000000, 0.0000011900000000, -0.0001738000000000 ] - [ 0.0008415800000000, -0.0012157400000000, -0.0020158000000000 ] - [ 0.0007552900000000, -0.0000366300000000, -0.0001773400000000 ] - [ -0.0007082700000000, -0.0001839900000000, 0.0000246200000000 ] - [ -0.0007142400000000, -0.0001128800000000, -0.0000057300000000 ] - [ -0.0004589900000000, 0.0001045500000000, -0.0005523900000000 ] - [ -0.0010336300000000, 0.0004476900000000, -0.0001683000000000 ] - [ 0.0009828900000000, 0.0001233800000000, -0.0034963400000000 ] - [ -0.0005525000000000, 0.0000367900000000, -0.0003329000000000 ] - [ -0.0003161400000000, -0.0004258200000000, -0.0009933200000000 ] - [ -0.0004349500000000, -0.0000598700000000, -0.0002757200000000 ] - [ 0.0005013400000000, -0.0000332800000000, 0.0002514300000000 ] - [ 0.0008015300000000, -0.0001896000000000, -0.0000368200000000 ] - [ 0.0007895300000000, 0.0000173600000000, -0.0000956000000000 ] - [ -0.0007152000000000, 0.0001806400000000, -0.0007709700000000 ] - [ -0.0005546600000000, -0.0040549600000000, 0.0016581100000000 ] - [ -0.0000920000000000, -0.0000074100000000, 0.0003229300000000 ] - [ -0.0024488700000000, 0.0257311100000000, 0.0019760400000000 ] - [ -0.0000808700000000, 0.0000206000000000, 0.0003234400000000 ] - [ -0.0003202700000000, 0.0016457100000000, 0.0020670000000000 ] - [ -0.0000984100000000, 0.0001382000000000, 0.0002829900000000 ] - [ -0.0001160600000000, -0.0003614600000000, 0.0000577200000000 ] - [ -0.0000711400000000, 0.0000369800000000, -0.0000417400000000 ] - [ 0.0058382100000000, 0.1002344300000000, 0.1173496500000000 ] - [ -0.0009669400000000, 0.0002630100000000, -0.0000349200000000 ] - [ -0.0006984500000000, 0.0001095400000000, 0.0014356100000000 ] - [ -0.0009492000000000, 0.0001310900000000, -0.0000744700000000 ] - [ -0.0002454400000000, -0.0007587800000000, 0.0011960900000000 ] - [ 0.0010808200000000, 0.0001319600000000, 0.0003425800000000 ] - [ 0.0011553000000000, -0.0008260300000000, 0.0011999400000000 ] - [ 0.0010736800000000, 0.0001984700000000, 0.0003427500000000 ] - [ -0.0091268600000000, -0.0031397600000000, -0.0017602400000000 ] - [ 0.0002947300000000, -0.0005067100000000, 0.0001063100000000 ] - [ -0.0015394600000000, -0.0003224000000000, -0.0000233800000000 ] - [ 0.0001358800000000, -0.0005327400000000, 0.0000240300000000 ] - [ -0.0007627900000000, -0.0004548300000000, 0.0012559300000000 ] - [ -0.0001716300000000, -0.0005582500000000, 0.0000627500000000 ] - [ 0.0146880000000000, -0.0153535800000000, 0.0047140400000000 ] - [ -0.0002403300000000, -0.0005167300000000, 0.0000887600000000 ] - [ -0.0020026100000000, 0.0009680300000000, 0.0000583400000000 ] - [ 0.0007434900000000, 0.0002657700000000, 0.0003318700000000 ] - [ -0.0003152200000000, 0.0000873100000000, 0.0001922100000000 ] - [ 0.0002570700000000, 0.0003229000000000, 0.0001618600000000 ] - [ 0.0005971300000000, 0.0012430800000000, 0.0011347600000000 ] - [ -0.0000850100000000, 0.0003815600000000, -0.0001341200000000 ] - [ -0.0066344100000000, -0.0273719300000000, -0.0067239400000000 ] - [ -0.0000176100000000, 0.0004255900000000, -0.0001040100000000 ] - [ 0.0002223200000000, 0.0017002900000000, -0.0053979200000000 ] - [ 0.0001836900000000, 0.0004427000000000, -0.0001708000000000 ] - [ 0.0058996400000000, -0.0427022400000000, -0.0640727400000000 ] - [ 0.0001821600000000, 0.0002654000000000, -0.0002347300000000 ] - [ 0.0069089100000000, -0.0000451000000000, -0.0052323200000000 ] - [ -0.0006435900000000, 0.0003605600000000, -0.0008009600000000 ] - [ 0.0014675900000000, 0.0016794200000000, -0.0008775600000000 ] - [ -0.0002421800000000, 0.0002902400000000, -0.0002365000000000 ] - [ 0.0024569600000000, -0.0015971000000000, 0.0116266300000000 ] - [ -0.0000158700000000, -0.0002084900000000, 0.0007957400000000 ] - [ 0.0001135100000000, 0.0016210100000000, 0.0030085500000000 ] - [ -0.0001731800000000, -0.0000554500000000, 0.0007512400000000 ] - [ 0.0000598900000000, -0.0001203500000000, -0.0008398200000000 ] - [ -0.0001418500000000, 0.0000130600000000, 0.0000158800000000 ] - [ -0.0000835200000000, -0.0001287800000000, 0.0005681300000000 ] - [ 0.0014217300000000, -0.0002285300000000, -0.0001127900000000 ] - [ 0.0001509800000000, -0.0001156400000000, -0.0004038000000000 ] - [ 0.0000739400000000, -0.0004891100000000, 0.0000665000000000 ] - [ -0.0039088800000000, -0.0020060400000000, -0.0019953200000000 ] - [ 0.0002547500000000, -0.0006012300000000, -0.0001710800000000 ] - [ -0.0133089000000000, -0.0299788000000000, -0.0385212200000000 ] - [ 0.0000296200000000, -0.0005954900000000, -0.0003157800000000 ] - [ 0.0007796500000000, -0.0037722700000000, 0.0007840700000000 ] - [ 0.0000381200000000, -0.0005416400000000, -0.0002704600000000 ] - [ -0.0000482900000000, 0.0003779800000000, 0.0003051400000000 ] - [ 0.0002179200000000, 0.0000236400000000, -0.0000762100000000 ] - [ 0.0010673600000000, -0.0004867200000000, 0.0069874400000000 ] - [ 0.0000526100000000, -0.0000445700000000, -0.0000609300000000 ] - [ -0.0000788900000000, -0.0001569300000000, 0.0011618400000000 ] - [ -0.0009611300000000, -0.0002420700000000, 0.0005760200000000 ] - [ -0.0001876500000000, 0.0001768500000000, 0.0003215300000000 ] - [ -0.0002119800000000, 0.0001821400000000, 0.0003968400000000 ] - [ 0.0002334200000000, 0.0006330600000000, 0.0005998700000000 ] - [ -0.0001013300000000, 0.0000937900000000, -0.0000079400000000 ] - [ 0.0006959100000000, -0.0007318500000000, 0.0014209600000000 ] - [ -0.0000811400000000, 0.0000273000000000, 0.0000295900000000 ] - [ -0.0006081700000000, -0.0012791500000000, 0.0000341500000000 ] - [ 0.0001749600000000, 0.0000194400000000, 0.0000442500000000 ] - [ -0.0003104600000000, 0.0011808400000000, 0.0003101200000000 ] - [ 0.0001689100000000, 0.0001138800000000, 0.0000293300000000 ] - [ 0.0000398100000000, -0.0001725000000000, -0.0006142700000000 ] - [ -0.0009249000000000, -0.0002826800000000, -0.0020548000000000 ] - [ -0.0000003600000000, 0.0000626000000000, -0.0005404000000000 ] - [ 0.0006140300000000, 0.0009292800000000, -0.0008498700000000 ] - [ -0.0007008100000000, 0.0004496000000000, 0.0006188300000000 ] - [ 0.0001153400000000, 0.0000493500000000, 0.0005637000000000 ] - [ -0.0017539600000000, -0.0011259700000000, 0.0012693100000000 ] - [ 0.0000024100000000, -0.0001981500000000, 0.0004987200000000 ]- atom: 49 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ 0.0108836500000000, 0.0004915200000000, -0.0106275400000000 ] - [ 0.0024574900000000, -0.0000521800000000, 0.0001035300000000 ] - [ -0.0000854600000000, -0.0002468500000000, -0.0003263500000000 ] - [ 0.0007905900000000, 0.0000014300000000, -0.0000278300000000 ] - [ -0.0002768200000000, 0.0011242800000000, -0.0020665800000000 ] - [ 0.0010686700000000, -0.0003750600000000, -0.0004562700000000 ] - [ -0.0003560800000000, -0.0016298900000000, -0.0010156800000000 ] - [ 0.0010439900000000, -0.0000360800000000, -0.0004874300000000 ] - [ -0.0004426800000000, 0.0020170900000000, -0.0022611500000000 ] - [ 0.0018603400000000, -0.0004399900000000, 0.0011466400000000 ] - [ -0.0001225500000000, -0.0001518700000000, 0.0005848000000000 ] - [ 0.0010510600000000, 0.0005066500000000, 0.0007128100000000 ] - [ -0.0019573800000000, 0.0024500400000000, 0.0007775300000000 ] - [ 0.0010320500000000, 0.0002561100000000, -0.0006290400000000 ] - [ -0.0020365500000000, -0.0006442200000000, -0.0015020700000000 ] - [ 0.0008930400000000, 0.0007653400000000, -0.0004181000000000 ] - [ 0.0005035200000000, -0.0021882200000000, -0.0031037100000000 ] - [ 0.0023768300000000, 0.0009362600000000, 0.0002254900000000 ] - [ 0.0004646600000000, 0.0005985500000000, -0.0000807400000000 ] - [ 0.0015439200000000, 0.0000015600000000, -0.0000293700000000 ] - [ -0.0022604500000000, 0.0015964700000000, -0.0005267000000000 ] - [ 0.0004365600000000, -0.0004213800000000, 0.0001469600000000 ] - [ -0.0024315000000000, -0.0018443000000000, 0.0013846400000000 ] - [ 0.0005706300000000, 0.0001136200000000, -0.0000088100000000 ] - [ 0.0026820000000000, -0.0005090700000000, -0.0034764600000000 ] - [ 0.0030044900000000, 0.0000810000000000, 0.0007253500000000 ] - [ 0.0001640200000000, 0.0000428300000000, -0.0002437000000000 ] - [ 0.0000129700000000, -0.0000498100000000, -0.0003080400000000 ] - [ 0.0005055300000000, 0.0006702400000000, 0.0002700200000000 ] - [ 0.0024835700000000, -0.0003892000000000, -0.0002197000000000 ] - [ 0.0002857500000000, -0.0007488800000000, 0.0006683100000000 ] - [ 0.0024817800000000, 0.0004623600000000, -0.0002352100000000 ] - [ 0.0043619300000000, -0.0130345000000000, 0.0097493000000000 ] - [ 0.0012238300000000, 0.0002858000000000, -0.0000899500000000 ] - [ -0.0012482100000000, 0.0028930800000000, 0.0000482500000000 ] - [ 0.0010437300000000, -0.0002842600000000, 0.0001351000000000 ] - [ 0.0069158400000000, -0.0060323200000000, -0.0192054300000000 ] - [ 0.0013587400000000, 0.0000978200000000, -0.0002506100000000 ] - [ -0.0015912200000000, 0.0014709600000000, 0.0000518500000000 ] - [ 0.0010218900000000, 0.0000246600000000, -0.0003237500000000 ] - [ 0.0034609600000000, 0.0107518500000000, 0.0091641200000000 ] - [ 0.0004084400000000, -0.0003462900000000, -0.0002590200000000 ] - [ -0.0022674700000000, -0.0028469700000000, 0.0015695800000000 ] - [ -0.0000805000000000, 0.0004574300000000, -0.0001046600000000 ] - [ 0.0117896800000000, 0.0198492200000000, -0.0146087900000000 ] - [ 0.0022251600000000, 0.0001919700000000, 0.0002179800000000 ] - [ -0.0009629700000000, -0.0015485500000000, 0.0007246300000000 ] - [ 0.0020332200000000, 0.0004157400000000, 0.0001497400000000 ] - [ -0.4090623700000000, -0.0231276500000000, 0.0830821400000000 ] - [ 0.0029845100000000, -0.0004656500000000, -0.0003395500000000 ] - [ -0.0041487600000000, -0.0007438500000000, 0.0009482600000000 ] - [ 0.0022038000000000, -0.0004454700000000, -0.0002712000000000 ] - [ -0.0069181800000000, -0.0007948000000000, 0.0016737000000000 ] - [ 0.0022270500000000, -0.0005339000000000, -0.0002951800000000 ] - [ -0.0069178900000000, 0.0005880700000000, 0.0011736200000000 ] - [ 0.0022242900000000, -0.0007449400000000, -0.0003236700000000 ] - [ 0.0421939400000000, -0.0036208700000000, 0.0039708100000000 ] - [ 0.0022872800000000, 0.0000479900000000, 0.0010764700000000 ] - [ -0.0014366200000000, 0.0008498800000000, 0.0001623800000000 ] - [ 0.0014289900000000, 0.0000773300000000, 0.0007139100000000 ] - [ -0.0006119900000000, -0.0005391800000000, 0.0021942500000000 ] - [ 0.0013477600000000, 0.0009927800000000, 0.0002843900000000 ] - [ -0.0004353500000000, 0.0035034600000000, 0.0015260300000000 ] - [ 0.0010680900000000, 0.0002890700000000, 0.0002197100000000 ] - [ 0.0072675400000000, 0.0058804900000000, -0.0121565600000000 ] - [ -0.0028831300000000, -0.0002911900000000, 0.0003178300000000 ] - [ 0.0077424300000000, -0.0121328300000000, -0.0040500500000000 ] - [ -0.0027700800000000, 0.0010659200000000, 0.0003760600000000 ] - [ 0.2595548000000000, 0.0217826400000000, -0.0823051900000000 ] - [ -0.0039429700000000, 0.0006584200000000, -0.0001282400000000 ] - [ 0.0051885900000000, 0.0007557600000000, -0.0021568200000000 ] - [ -0.0029025100000000, 0.0002886000000000, 0.0001550000000000 ] - [ -0.0005554800000000, 0.0014314500000000, 0.0146300800000000 ] - [ -0.0048609100000000, -0.0000676900000000, -0.0000129600000000 ] - [ -0.0006694200000000, -0.0002431600000000, 0.0011211500000000 ] - [ -0.0012995600000000, -0.0000952200000000, 0.0003451100000000 ] - [ 0.0011882900000000, -0.0030597200000000, 0.0005765900000000 ] - [ -0.0024487200000000, 0.0002198800000000, -0.0001433600000000 ] - [ 0.0014661000000000, 0.0026327000000000, 0.0005215700000000 ] - [ -0.0024772600000000, -0.0006834000000000, -0.0001817300000000 ] - [ 0.0064992800000000, -0.0058707100000000, 0.0061113600000000 ] - [ -0.0019117200000000, -0.0004152100000000, 0.0002507500000000 ] - [ 0.0056471700000000, 0.0061290600000000, 0.0022983000000000 ] - [ -0.0019305600000000, -0.0006884400000000, 0.0002680300000000 ] - [ 0.0580642100000000, -0.0049184600000000, 0.0234210300000000 ] - [ -0.0026346800000000, -0.0007428300000000, 0.0002096600000000 ] - [ 0.0023798000000000, -0.0009848400000000, 0.0008537100000000 ] - [ -0.0016560600000000, -0.0004632500000000, -0.0002675600000000 ] - [ -0.0004825500000000, 0.0016660100000000, -0.0000430000000000 ] - [ -0.0008573200000000, -0.0006898800000000, -0.0003957900000000 ] - [ -0.0005223600000000, -0.0014587700000000, -0.0005282000000000 ] - [ -0.0008087100000000, 0.0006339900000000, -0.0003962900000000 ] - [ 0.0000277100000000, -0.0010591900000000, -0.0114560300000000 ] - [ -0.0029952900000000, -0.0000786500000000, -0.0000355400000000 ] - [ 0.0004842300000000, -0.0001467900000000, 0.0000309700000000 ] - [ -0.0013044300000000, -0.0000064700000000, -0.0001050000000000 ] - [ 0.0040661600000000, 0.0012028700000000, 0.0002199600000000 ] - [ -0.0013604100000000, -0.0000054400000000, -0.0000596300000000 ] - [ 0.0036696000000000, -0.0004015200000000, 0.0002109800000000 ] - [ -0.0013862700000000, 0.0001353000000000, -0.0000617000000000 ] - [ 0.0038810800000000, 0.0000763000000000, 0.0003454600000000 ] - [ -0.0012702400000000, 0.0000581100000000, -0.0000041500000000 ] - [ 0.0019499900000000, -0.0000222800000000, 0.0000477200000000 ] - [ -0.0009940100000000, 0.0000710300000000, 0.0000509800000000 ] - [ -0.0017198400000000, -0.0000900200000000, 0.0008382700000000 ] - [ -0.0015821500000000, 0.0000809900000000, -0.0008407800000000 ] - [ -0.0001706700000000, -0.0001519200000000, -0.0004089800000000 ] - [ -0.0007376700000000, -0.0000834400000000, -0.0005400900000000 ] - [ -0.0016526700000000, 0.0009265900000000, 0.0007729300000000 ] - [ -0.0019583200000000, -0.0020740300000000, -0.0001271000000000 ] - [ -0.0014542200000000, -0.0011326200000000, 0.0005803600000000 ] - [ -0.0016320100000000, 0.0022956200000000, 0.0003908700000000 ]- atom: 49 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ -0.0107386400000000, -0.0007658900000000, 0.0106865300000000 ] - [ -0.0024586700000000, -0.0002426000000000, 0.0000138400000000 ] - [ 0.0000932400000000, -0.0000468800000000, 0.0004423100000000 ] - [ -0.0007805800000000, -0.0002945800000000, 0.0001449800000000 ] - [ 0.0002653100000000, -0.0014172300000000, 0.0019532400000000 ] - [ -0.0010829500000000, 0.0000819500000000, 0.0003413200000000 ] - [ 0.0003479100000000, 0.0013374000000000, 0.0008919300000000 ] - [ -0.0010571500000000, -0.0002571400000000, 0.0003710900000000 ] - [ 0.0009903000000000, -0.0011459900000000, 0.0033855200000000 ] - [ -0.0013140600000000, 0.0013102300000000, -0.0000210200000000 ] - [ 0.0006704000000000, 0.0010172900000000, 0.0005473200000000 ] - [ -0.0005009700000000, 0.0003579500000000, 0.0004158600000000 ] - [ 0.0014229900000000, -0.0015863400000000, -0.0019057800000000 ] - [ -0.0015881900000000, 0.0006099000000000, -0.0004998400000000 ] - [ 0.0014915100000000, 0.0015129800000000, 0.0003747900000000 ] - [ -0.0014476400000000, 0.0001013900000000, -0.0007105200000000 ] - [ 0.0009878000000000, 0.0021753900000000, 0.0028216800000000 ] - [ -0.0008916000000000, -0.0009490100000000, -0.0005028800000000 ] - [ 0.0010181700000000, -0.0006097500000000, -0.0001917500000000 ] - [ -0.0000525600000000, -0.0000055100000000, -0.0002457900000000 ] - [ 0.0007759700000000, -0.0016071500000000, 0.0008045600000000 ] - [ -0.0019289200000000, 0.0004131500000000, 0.0001286100000000 ] - [ 0.0009571100000000, 0.0018402600000000, -0.0011153200000000 ] - [ -0.0020634600000000, -0.0001221000000000, 0.0002851800000000 ] - [ -0.0035835200000000, 0.0004941400000000, 0.0030155600000000 ] - [ -0.0039209200000000, -0.0000960100000000, -0.0011948100000000 ] - [ -0.0010760800000000, -0.0000564300000000, -0.0002091200000000 ] - [ -0.0009126700000000, 0.0000369400000000, -0.0001473000000000 ] - [ 0.0004067500000000, -0.0006846600000000, 0.0001822300000000 ] - [ -0.0015834600000000, 0.0003755300000000, 0.0006739700000000 ] - [ 0.0006268600000000, 0.0007394400000000, -0.0002212600000000 ] - [ -0.0015825500000000, -0.0004744600000000, 0.0006893000000000 ] - [ -0.0044366800000000, 0.0130128400000000, -0.0091820400000000 ] - [ -0.0013451300000000, -0.0002318700000000, 0.0006325600000000 ] - [ 0.0011241100000000, -0.0028387100000000, 0.0004911900000000 ] - [ -0.0011655700000000, 0.0003421900000000, 0.0004054000000000 ] - [ -0.0067424100000000, 0.0061158900000000, 0.0188499700000000 ] - [ -0.0012421100000000, -0.0000398500000000, -0.0002881000000000 ] - [ 0.0017134500000000, -0.0014216700000000, -0.0005935700000000 ] - [ -0.0009051400000000, 0.0000316000000000, -0.0002149500000000 ] - [ -0.0052977000000000, -0.0103594800000000, -0.0092870100000000 ] - [ -0.0022963200000000, 0.0007080200000000, 0.0000668200000000 ] - [ 0.0003790800000000, 0.0031978300000000, -0.0017628700000000 ] - [ -0.0018063400000000, -0.0000976000000000, -0.0000892800000000 ] - [ -0.0099524200000000, -0.0197438600000000, 0.0149925600000000 ] - [ -0.0003423000000000, 0.0001684800000000, -0.0000247400000000 ] - [ 0.0028558500000000, 0.0019079900000000, -0.0005327100000000 ] - [ -0.0001492700000000, -0.0000543300000000, 0.0000440000000000 ] - [ 0.4219193000000000, 0.0248088600000000, -0.0933317800000000 ] - [ -0.0027476000000000, -0.0006068100000000, 0.0002756700000000 ] - [ 0.0043997700000000, -0.0003288900000000, -0.0010184900000000 ] - [ -0.0019652800000000, -0.0006267500000000, 0.0002072000000000 ] - [ 0.0066818900000000, -0.0002765200000000, -0.0016081000000000 ] - [ -0.0024703600000000, -0.0005390200000000, 0.0003607400000000 ] - [ 0.0066790600000000, -0.0016625500000000, -0.0011108600000000 ] - [ -0.0024707100000000, -0.0003268700000000, 0.0003894800000000 ] - [ -0.0432019200000000, 0.0045962100000000, -0.0038369100000000 ] - [ -0.0021642800000000, 0.0007428700000000, -0.0007914500000000 ] - [ 0.0015692100000000, -0.0000618000000000, 0.0001264800000000 ] - [ -0.0013050000000000, 0.0007134100000000, -0.0004277000000000 ] - [ 0.0004857300000000, 0.0013333300000000, -0.0024808700000000 ] - [ -0.0014744700000000, -0.0002019300000000, -0.0005723600000000 ] - [ 0.0003078100000000, -0.0027066900000000, -0.0018123500000000 ] - [ -0.0011944500000000, 0.0005037200000000, -0.0005074800000000 ] - [ -0.0070395100000000, -0.0051594600000000, 0.0119722500000000 ] - [ 0.0031089800000000, 0.0010283900000000, -0.0005238700000000 ] - [ -0.0075069900000000, 0.0128737400000000, 0.0038526500000000 ] - [ 0.0029963000000000, -0.0003331700000000, -0.0005836600000000 ] - [ -0.2755911800000000, -0.0232443000000000, 0.0905188500000000 ] - [ 0.0037274100000000, 0.0000769100000000, 0.0003313200000000 ] - [ -0.0054252100000000, -0.0000130600000000, 0.0023652400000000 ] - [ 0.0026856300000000, 0.0004461000000000, 0.0000495000000000 ] - [ 0.0002051000000000, -0.0016908300000000, -0.0132732700000000 ] - [ 0.0045332400000000, -0.0001921000000000, 0.0013637600000000 ] - [ 0.0003317600000000, -0.0000162900000000, 0.0002203600000000 ] - [ 0.0009504800000000, -0.0001675000000000, 0.0009988700000000 ] - [ -0.0008556200000000, 0.0027993600000000, -0.0019200800000000 ] - [ 0.0028004900000000, -0.0004809600000000, -0.0011996400000000 ] - [ -0.0011348000000000, -0.0029027700000000, -0.0018556800000000 ] - [ 0.0028301200000000, 0.0004205100000000, -0.0011611100000000 ] - [ -0.0065458500000000, 0.0047367200000000, -0.0056160900000000 ] - [ 0.0018834500000000, -0.0007224600000000, 0.0002515800000000 ] - [ -0.0056908500000000, -0.0072561700000000, -0.0017838600000000 ] - [ 0.0019029600000000, -0.0004496800000000, 0.0002343300000000 ] - [ -0.0539036700000000, 0.0033065700000000, -0.0221000000000000 ] - [ 0.0026724700000000, -0.0003962100000000, -0.0007178100000000 ] - [ -0.0023469700000000, -0.0001544000000000, -0.0013543000000000 ] - [ 0.0016895900000000, -0.0006795000000000, -0.0002357200000000 ] - [ 0.0008589300000000, -0.0016894200000000, -0.0001415700000000 ] - [ 0.0012289400000000, 0.0006669600000000, 0.0002123000000000 ] - [ 0.0008990600000000, 0.0014280500000000, 0.0003439600000000 ] - [ 0.0011808300000000, -0.0006639600000000, 0.0002130000000000 ] - [ -0.0004445300000000, 0.0010460900000000, 0.0117180900000000 ] - [ 0.0026247000000000, 0.0000540000000000, 0.0002209400000000 ] - [ -0.0008646600000000, 0.0001215200000000, 0.0001539000000000 ] - [ 0.0009355600000000, -0.0000184100000000, 0.0002901600000000 ] - [ -0.0042390000000000, -0.0010786300000000, -0.0002793000000000 ] - [ 0.0011840300000000, 0.0001347000000000, 0.0000047000000000 ] - [ -0.0038494800000000, 0.0005109100000000, -0.0002583800000000 ] - [ 0.0012104500000000, -0.0000076600000000, 0.0000069200000000 ] - [ -0.0037024800000000, 0.0000515300000000, -0.0002899100000000 ] - [ 0.0014511200000000, 0.0000706000000000, 0.0000594300000000 ] - [ -0.0017733700000000, 0.0001516700000000, 0.0000060400000000 ] - [ 0.0011741900000000, 0.0000572200000000, 0.0000038100000000 ] - [ 0.0018319400000000, -0.0000335700000000, -0.0018460000000000 ] - [ 0.0017000400000000, -0.0002047900000000, -0.0001630600000000 ] - [ 0.0002828500000000, 0.0000285900000000, -0.0005962600000000 ] - [ 0.0008548600000000, -0.0000398500000000, -0.0004649300000000 ] - [ 0.0015399300000000, -0.0010494100000000, 0.0002312800000000 ] - [ 0.0018461700000000, 0.0019616000000000, 0.0011323900000000 ] - [ 0.0013413300000000, 0.0010077500000000, 0.0004238900000000 ] - [ 0.0015217600000000, -0.0024351500000000, 0.0006121000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009199600000000, -0.0015861200000000, -0.0007575800000000 ] - [ -0.0001651100000000, -0.0003357700000000, 0.0001579400000000 ] - [ -0.0000410600000000, 0.0006187300000000, 0.0002885700000000 ] - [ 0.0001405400000000, 0.0001381700000000, 0.0002090200000000 ] - [ 0.0005380600000000, -0.0000392100000000, -0.0021606800000000 ] - [ -0.0000834400000000, -0.0001845500000000, -0.0001352800000000 ] - [ -0.0004325400000000, 0.0003028700000000, 0.0001110500000000 ] - [ 0.0001318200000000, -0.0000979500000000, -0.0001834400000000 ] - [ 0.0010715900000000, -0.0005346400000000, 0.0003687000000000 ] - [ 0.0001773800000000, 0.0003610200000000, 0.0005918900000000 ] - [ -0.0004077700000000, 0.0015979400000000, 0.0005000100000000 ] - [ 0.0003361500000000, 0.0006449900000000, 0.0005191600000000 ] - [ 0.0002878700000000, -0.0004424200000000, -0.0004229200000000 ] - [ -0.0002968800000000, 0.0003272600000000, -0.0005747500000000 ] - [ -0.0010742200000000, 0.0013478300000000, -0.0008200600000000 ] - [ -0.0001312400000000, 0.0006130600000000, -0.0004994900000000 ] - [ -0.0000860200000000, -0.0014547800000000, -0.0000580900000000 ] - [ 0.0006870100000000, -0.0003978500000000, -0.0001802700000000 ] - [ 0.0017704900000000, 0.0014412600000000, -0.0003498800000000 ] - [ 0.0007694200000000, 0.0002299500000000, -0.0000613700000000 ] - [ -0.0004235200000000, 0.0006547500000000, 0.0000609400000000 ] - [ -0.0007660100000000, 0.0000277400000000, 0.0001376300000000 ] - [ -0.0014974200000000, -0.0001694700000000, -0.0002326000000000 ] - [ -0.0005963800000000, -0.0001305100000000, 0.0001595600000000 ] - [ -0.0001658600000000, -0.0004784600000000, -0.0005136500000000 ] - [ -0.0008258300000000, -0.0003160100000000, -0.0004002100000000 ] - [ -0.0002555700000000, 0.0004478100000000, -0.0002226700000000 ] - [ -0.0003781200000000, 0.0002831200000000, -0.0002019900000000 ] - [ 0.0010986400000000, 0.0000529700000000, -0.0000891900000000 ] - [ 0.0000990000000000, -0.0000283800000000, 0.0002117500000000 ] - [ -0.0003683000000000, 0.0000517100000000, 0.0004087600000000 ] - [ 0.0008572600000000, 0.0000217800000000, 0.0002277200000000 ] - [ -0.0038516400000000, 0.0042644900000000, -0.0035039300000000 ] - [ 0.0001968900000000, -0.0000564200000000, 0.0001827000000000 ] - [ 0.0006131400000000, 0.0013829400000000, 0.0004859500000000 ] - [ -0.0000990200000000, 0.0001527700000000, 0.0002024000000000 ] - [ -0.0117504200000000, -0.0081761600000000, 0.0111771900000000 ] - [ 0.0001163000000000, -0.0000376400000000, -0.0002845800000000 ] - [ -0.0000906400000000, 0.0025697000000000, 0.0005703100000000 ] - [ 0.0000694800000000, 0.0001417800000000, -0.0002005300000000 ] - [ 0.0011049100000000, 0.0013423600000000, 0.0024975300000000 ] - [ -0.0009891000000000, 0.0000872200000000, -0.0001381900000000 ] - [ -0.0012002300000000, 0.0022107600000000, -0.0003272200000000 ] - [ -0.0008057300000000, 0.0002390400000000, -0.0001115200000000 ] - [ 0.0286894400000000, 0.0121249400000000, -0.0145149100000000 ] - [ 0.0009025500000000, -0.0000307400000000, 0.0001276200000000 ] - [ 0.0006496800000000, 0.0028587600000000, 0.0001984100000000 ] - [ 0.0010175100000000, 0.0002962700000000, 0.0000873100000000 ] - [ -0.0240769900000000, -0.0626608900000000, 0.0195285200000000 ] - [ 0.0002317200000000, -0.0006106200000000, -0.0000354000000000 ] - [ -0.0000557600000000, 0.0012508500000000, 0.0001376800000000 ] - [ 0.0002510200000000, -0.0004592800000000, -0.0000550300000000 ] - [ -0.0012887800000000, 0.0000873700000000, -0.0010492700000000 ] - [ 0.0000545000000000, -0.0005249400000000, -0.0000080400000000 ] - [ 0.0000933600000000, 0.0000848800000000, 0.0005288200000000 ] - [ -0.0001565400000000, -0.0005256300000000, 0.0000374400000000 ] - [ -0.0096643000000000, -0.0092011100000000, -0.0013591000000000 ] - [ 0.0001625000000000, 0.0002828900000000, 0.0001819600000000 ] - [ -0.0001235900000000, 0.0017082200000000, 0.0001419900000000 ] - [ 0.0000403600000000, 0.0005136400000000, 0.0001423400000000 ] - [ -0.0010279300000000, 0.0002845200000000, -0.0015559000000000 ] - [ 0.0002071100000000, 0.0003535200000000, -0.0001284800000000 ] - [ 0.0006590600000000, 0.0011884000000000, 0.0005861400000000 ] - [ -0.0001396900000000, 0.0004652500000000, -0.0001824300000000 ] - [ 0.0013217200000000, -0.0021866300000000, 0.0036584000000000 ] - [ -0.0002611900000000, 0.0002276100000000, -0.0000316800000000 ] - [ -0.0010553800000000, -0.0019782100000000, -0.0012488200000000 ] - [ 0.0001832300000000, 0.0003796500000000, -0.0000245300000000 ] - [ 0.0236522200000000, 0.0585092400000000, -0.0104594400000000 ] - [ -0.0002457200000000, 0.0006504000000000, 0.0000742600000000 ] - [ 0.0000940400000000, -0.0037987600000000, -0.0009079100000000 ] - [ -0.0001961000000000, 0.0001329000000000, 0.0001127400000000 ] - [ -0.0002664500000000, 0.0025410100000000, 0.0014729000000000 ] - [ 0.0002385700000000, 0.0002908200000000, 0.0005708500000000 ] - [ -0.0002763500000000, -0.0025604600000000, 0.0005386900000000 ] - [ -0.0002947000000000, -0.0005646500000000, 0.0004938000000000 ] - [ -0.0001053400000000, -0.0004381400000000, 0.0005567900000000 ] - [ 0.0004659000000000, -0.0000630100000000, -0.0006780500000000 ] - [ 0.0012119000000000, -0.0006230400000000, -0.0008294800000000 ] - [ -0.0003085800000000, -0.0002091800000000, -0.0005828600000000 ] - [ 0.0014298900000000, -0.0049087800000000, 0.0051950900000000 ] - [ -0.0000709500000000, -0.0005810700000000, 0.0002183200000000 ] - [ 0.0010216800000000, -0.0032647700000000, -0.0011573600000000 ] - [ -0.0001070700000000, -0.0005614600000000, 0.0003066800000000 ] - [ -0.0068623800000000, 0.0025441800000000, -0.0033987000000000 ] - [ -0.0000141800000000, -0.0002952000000000, -0.0003069300000000 ] - [ 0.0001051900000000, -0.0026289800000000, -0.0005169600000000 ] - [ -0.0001049100000000, -0.0007819300000000, -0.0002361000000000 ] - [ 0.0006207200000000, 0.0000422500000000, 0.0003867700000000 ] - [ -0.0002835500000000, 0.0001214300000000, -0.0000929800000000 ] - [ -0.0004181900000000, -0.0001462300000000, -0.0003007100000000 ] - [ 0.0005711500000000, -0.0001419100000000, -0.0000762100000000 ] - [ -0.0000835200000000, 0.0019315700000000, 0.0012683400000000 ] - [ -0.0003608200000000, 0.0001421500000000, 0.0000699200000000 ] - [ -0.0001424200000000, -0.0013512600000000, -0.0001283200000000 ] - [ -0.0002424700000000, -0.0001747900000000, 0.0000528900000000 ] - [ 0.0007327800000000, 0.0002133200000000, -0.0011423800000000 ] - [ -0.0001615400000000, 0.0000810200000000, -0.0000411500000000 ] - [ 0.0001440500000000, 0.0049097700000000, -0.0020499300000000 ] - [ -0.0001168900000000, 0.0000434300000000, -0.0000363200000000 ] - [ 0.0000216900000000, 0.0013429000000000, -0.0000314700000000 ] - [ 0.0000597300000000, 0.0001429500000000, 0.0000383600000000 ] - [ 0.0001829700000000, -0.0009136300000000, 0.0001761500000000 ] - [ 0.0000390800000000, -0.0000112100000000, 0.0000304100000000 ] - [ 0.0001779000000000, 0.0007629700000000, -0.0003531800000000 ] - [ -0.0000879200000000, 0.0003403000000000, -0.0005150200000000 ] - [ -0.0000448400000000, -0.0005694400000000, -0.0003963600000000 ] - [ 0.0000926900000000, -0.0003965600000000, -0.0004565500000000 ] - [ 0.0003505900000000, -0.0000284000000000, 0.0003057000000000 ] - [ -0.0012018300000000, -0.0001998100000000, -0.0000784800000000 ] - [ -0.0004627900000000, -0.0001629400000000, 0.0005780100000000 ] - [ 0.0004293700000000, -0.0003834200000000, 0.0005244900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008717200000000, 0.0012937100000000, 0.0009059400000000 ] - [ 0.0001978800000000, 0.0000468900000000, 0.0000031900000000 ] - [ 0.0000676900000000, -0.0009060400000000, -0.0001264100000000 ] - [ -0.0001154400000000, -0.0004277900000000, -0.0000489100000000 ] - [ -0.0005639600000000, -0.0002442200000000, 0.0020013700000000 ] - [ 0.0000624400000000, -0.0001044000000000, -0.0000275200000000 ] - [ 0.0004081900000000, -0.0006031600000000, -0.0002870700000000 ] - [ -0.0001530800000000, -0.0001908900000000, 0.0000197900000000 ] - [ -0.0005022100000000, 0.0013987600000000, 0.0007522200000000 ] - [ 0.0003899500000000, 0.0005045300000000, 0.0005364800000000 ] - [ 0.0009753600000000, -0.0007281400000000, 0.0006227400000000 ] - [ 0.0002284100000000, 0.0002237600000000, 0.0006080000000000 ] - [ -0.0008586700000000, 0.0013241500000000, -0.0006977300000000 ] - [ -0.0002629000000000, 0.0005421800000000, -0.0005503000000000 ] - [ 0.0004968500000000, -0.0004844200000000, -0.0003164500000000 ] - [ -0.0004281900000000, 0.0002564500000000, -0.0006256500000000 ] - [ 0.0015998700000000, 0.0014487400000000, -0.0002232300000000 ] - [ 0.0008302000000000, 0.0003976300000000, -0.0000945800000000 ] - [ -0.0002468400000000, -0.0014381700000000, 0.0000686200000000 ] - [ 0.0007436900000000, -0.0002347900000000, -0.0002146400000000 ] - [ -0.0010970500000000, -0.0006507900000000, 0.0002110300000000 ] - [ -0.0007431900000000, -0.0000314000000000, 0.0001392600000000 ] - [ -0.0000254000000000, 0.0001549500000000, 0.0005102800000000 ] - [ -0.0009117600000000, 0.0001255600000000, 0.0001174800000000 ] - [ -0.0007096000000000, 0.0004606800000000, 0.0000475400000000 ] - [ -0.0000462200000000, 0.0003002500000000, -0.0000576000000000 ] - [ -0.0006200000000000, -0.0004632400000000, -0.0002404800000000 ] - [ -0.0005100400000000, -0.0003000300000000, -0.0002603600000000 ] - [ -0.0002148600000000, -0.0000656400000000, 0.0005513600000000 ] - [ 0.0007927700000000, 0.0000120100000000, 0.0002495200000000 ] - [ 0.0012490500000000, -0.0000730400000000, 0.0000551200000000 ] - [ 0.0000331900000000, -0.0000386800000000, 0.0002347300000000 ] - [ 0.0037732000000000, -0.0042013500000000, 0.0040361500000000 ] - [ -0.0003007900000000, 0.0001230300000000, 0.0003384500000000 ] - [ -0.0007156700000000, -0.0013145300000000, 0.0000479800000000 ] - [ -0.0000047900000000, -0.0000901800000000, 0.0003207400000000 ] - [ 0.0119212100000000, 0.0081367900000000, -0.0117145700000000 ] - [ -0.0000061400000000, 0.0001032500000000, -0.0002373200000000 ] - [ 0.0001922100000000, -0.0024990600000000, -0.0010888600000000 ] - [ 0.0000404000000000, -0.0000754000000000, -0.0003222600000000 ] - [ -0.0029651400000000, -0.0010168000000000, -0.0026822800000000 ] - [ -0.0008738800000000, 0.0002464700000000, -0.0000594800000000 ] - [ -0.0006690100000000, -0.0018708400000000, 0.0001323900000000 ] - [ -0.0010603100000000, 0.0000997800000000, -0.0000848100000000 ] - [ -0.0272014900000000, -0.0119618300000000, 0.0148836700000000 ] - [ 0.0009682400000000, 0.0003676600000000, 0.0000687700000000 ] - [ 0.0012065600000000, -0.0025304200000000, 0.0000068100000000 ] - [ 0.0008532500000000, 0.0000415100000000, 0.0001089200000000 ] - [ 0.0237038300000000, 0.0611133600000000, -0.0188302900000000 ] - [ 0.0000164500000000, -0.0004634400000000, -0.0000191200000000 ] - [ 0.0002809000000000, -0.0023253800000000, -0.0001808300000000 ] - [ -0.0000050900000000, -0.0006147100000000, 0.0000008200000000 ] - [ 0.0010360200000000, -0.0011601800000000, 0.0011048100000000 ] - [ -0.0002882100000000, -0.0005495200000000, 0.0000607200000000 ] - [ -0.0003507700000000, -0.0011634900000000, -0.0004694100000000 ] - [ -0.0000756900000000, -0.0005500400000000, 0.0000147700000000 ] - [ 0.0098464900000000, 0.0099672400000000, 0.0016270500000000 ] - [ -0.0000579400000000, 0.0005158800000000, 0.0001023800000000 ] - [ 0.0002156100000000, -0.0009075100000000, 0.0001403800000000 ] - [ 0.0000631000000000, 0.0002861600000000, 0.0001421400000000 ] - [ 0.0009258900000000, 0.0005158700000000, 0.0012761500000000 ] - [ -0.0003039900000000, 0.0004495700000000, -0.0001521500000000 ] - [ -0.0007589100000000, -0.0003890400000000, -0.0008670600000000 ] - [ 0.0000444800000000, 0.0003353000000000, -0.0000989000000000 ] - [ -0.0011060400000000, 0.0029252900000000, -0.0038616900000000 ] - [ 0.0004596700000000, 0.0005061900000000, -0.0001632000000000 ] - [ 0.0012591000000000, 0.0027189400000000, 0.0010248900000000 ] - [ 0.0000128800000000, 0.0003609900000000, -0.0001709700000000 ] - [ -0.0228007000000000, -0.0572953600000000, 0.0101504600000000 ] - [ 0.0000311000000000, 0.0000869800000000, 0.0001221300000000 ] - [ -0.0002738200000000, 0.0045358400000000, 0.0010934200000000 ] - [ -0.0000168600000000, 0.0006042100000000, 0.0000840700000000 ] - [ -0.0001033600000000, -0.0027980100000000, -0.0001377000000000 ] - [ -0.0006106900000000, -0.0005561200000000, 0.0007534400000000 ] - [ -0.0000901400000000, 0.0022883500000000, 0.0007867100000000 ] - [ -0.0000598900000000, 0.0003008500000000, 0.0008310000000000 ] - [ 0.0004660400000000, 0.0001568100000000, -0.0018808900000000 ] - [ -0.0001172000000000, -0.0002033400000000, -0.0006460100000000 ] - [ -0.0008421700000000, 0.0003735300000000, -0.0004792100000000 ] - [ 0.0006572600000000, -0.0000565400000000, -0.0007410300000000 ] - [ -0.0014502200000000, 0.0037594300000000, -0.0046845000000000 ] - [ 0.0000362000000000, -0.0005566900000000, 0.0002859600000000 ] - [ -0.0010160600000000, 0.0021778600000000, 0.0016572700000000 ] - [ 0.0000718500000000, -0.0005756000000000, 0.0001972300000000 ] - [ 0.0065549400000000, -0.0035227000000000, 0.0027267000000000 ] - [ 0.0000359200000000, -0.0008473400000000, -0.0001953900000000 ] - [ -0.0000757300000000, 0.0014818500000000, 0.0000086800000000 ] - [ 0.0001304900000000, -0.0003579400000000, -0.0002685400000000 ] - [ -0.0002514300000000, -0.0000708800000000, -0.0005640000000000 ] - [ 0.0006556600000000, -0.0001528100000000, -0.0000883200000000 ] - [ 0.0007842500000000, 0.0001188600000000, 0.0001251400000000 ] - [ -0.0002000800000000, 0.0001174900000000, -0.0001048800000000 ] - [ -0.0002858200000000, -0.0019628800000000, -0.0011396400000000 ] - [ -0.0000182900000000, -0.0001678900000000, 0.0001097600000000 ] - [ -0.0002234600000000, 0.0013242500000000, 0.0003108100000000 ] - [ -0.0001364400000000, 0.0001481600000000, 0.0001267400000000 ] - [ -0.0008945200000000, -0.0001984300000000, 0.0010371500000000 ] - [ -0.0000196900000000, 0.0000469700000000, -0.0000152900000000 ] - [ -0.0002779700000000, -0.0045119100000000, 0.0018413100000000 ] - [ -0.0000649700000000, 0.0000856500000000, -0.0000202800000000 ] - [ 0.0001682200000000, -0.0012145400000000, 0.0000955100000000 ] - [ 0.0001143200000000, -0.0000142000000000, 0.0000179200000000 ] - [ -0.0000002300000000, 0.0010414800000000, -0.0001160100000000 ] - [ 0.0001360300000000, 0.0001400900000000, 0.0000261900000000 ] - [ -0.0000717100000000, -0.0008921200000000, -0.0006460700000000 ] - [ 0.0002004700000000, -0.0004647900000000, -0.0004898700000000 ] - [ 0.0001609900000000, 0.0004458900000000, -0.0006094300000000 ] - [ 0.0000197200000000, 0.0002713200000000, -0.0005482700000000 ] - [ -0.0004686800000000, -0.0000963300000000, 0.0006991600000000 ] - [ 0.0010832500000000, 0.0000663600000000, 0.0010831300000000 ] - [ 0.0003426600000000, 0.0000381300000000, 0.0004274100000000 ] - [ -0.0005492300000000, 0.0002711500000000, 0.0004795100000000 ]- atom: 49 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ -0.0032492900000000, -0.0005334800000000, 0.0016779400000000 ] - [ 0.0001707300000000, -0.0000884700000000, 0.0000936800000000 ] - [ -0.0000532100000000, -0.0001309400000000, -0.0002882000000000 ] - [ -0.0000732600000000, -0.0002419100000000, 0.0000500800000000 ] - [ 0.0000518100000000, -0.0004542700000000, 0.0019257600000000 ] - [ -0.0001041200000000, -0.0001476600000000, 0.0000983700000000 ] - [ -0.0003755800000000, 0.0005957200000000, 0.0029075000000000 ] - [ -0.0000709600000000, -0.0001739500000000, 0.0001039400000000 ] - [ -0.0005638200000000, -0.0001377600000000, 0.0018753300000000 ] - [ 0.0002993800000000, 0.0003852500000000, 0.0006357400000000 ] - [ -0.0000008500000000, 0.0007065500000000, 0.0007765600000000 ] - [ 0.0002251100000000, 0.0004601300000000, 0.0005333400000000 ] - [ 0.0012614400000000, 0.0018529400000000, 0.0012582200000000 ] - [ -0.0004994900000000, 0.0005433900000000, -0.0004710100000000 ] - [ 0.0005777000000000, 0.0003414800000000, 0.0004776300000000 ] - [ -0.0004528100000000, 0.0004122400000000, -0.0005202000000000 ] - [ -0.0005737900000000, 0.0006623200000000, 0.0011967300000000 ] - [ 0.0007716300000000, 0.0000648500000000, -0.0001217800000000 ] - [ 0.0001425500000000, -0.0005153300000000, 0.0002030500000000 ] - [ 0.0006836600000000, -0.0000749100000000, -0.0001574600000000 ] - [ -0.0002542600000000, 0.0002260800000000, 0.0007485900000000 ] - [ -0.0009456700000000, 0.0000363300000000, 0.0002001500000000 ] - [ 0.0004247000000000, -0.0011440300000000, 0.0020069300000000 ] - [ -0.0009485100000000, -0.0001225500000000, 0.0002529900000000 ] - [ -0.0018267300000000, 0.0000272000000000, 0.0005095000000000 ] - [ 0.0001150100000000, -0.0000027800000000, 0.0001744200000000 ] - [ -0.0008607700000000, -0.0000586800000000, -0.0002294900000000 ] - [ -0.0003647300000000, -0.0000137100000000, -0.0002404500000000 ] - [ 0.0010138700000000, 0.0002347100000000, 0.0005190700000000 ] - [ -0.0000649600000000, 0.0001125400000000, 0.0004191200000000 ] - [ 0.0007016700000000, -0.0002509700000000, 0.0008285800000000 ] - [ 0.0000086000000000, -0.0001621900000000, 0.0004615700000000 ] - [ 0.0016418900000000, -0.0017665500000000, -0.0000146400000000 ] - [ -0.0002673300000000, 0.0000659400000000, 0.0002344800000000 ] - [ 0.0001337300000000, 0.0007823300000000, -0.0010450200000000 ] - [ -0.0001452800000000, 0.0001223000000000, 0.0001505900000000 ] - [ -0.0277436900000000, 0.0093369000000000, 0.0165120300000000 ] - [ -0.0000591900000000, 0.0000196900000000, -0.0003549600000000 ] - [ 0.0003510200000000, -0.0005171000000000, -0.0006428100000000 ] - [ -0.0000385100000000, 0.0000368300000000, -0.0002886000000000 ] - [ 0.0018436000000000, 0.0036231500000000, 0.0015918700000000 ] - [ -0.0012598100000000, 0.0002956800000000, -0.0002359500000000 ] - [ -0.0006961900000000, -0.0003005100000000, -0.0001086900000000 ] - [ -0.0010901800000000, 0.0000791800000000, -0.0001526700000000 ] - [ -0.0107148300000000, -0.0073625600000000, -0.0046969700000000 ] - [ 0.0007975400000000, 0.0001986100000000, 0.0000368700000000 ] - [ 0.0013158400000000, 0.0015906600000000, -0.0011297000000000 ] - [ 0.0008083600000000, 0.0001274600000000, 0.0000639500000000 ] - [ 0.0911043700000000, 0.0187777900000000, -0.1137760700000000 ] - [ -0.0001700200000000, -0.0005258200000000, -0.0000742300000000 ] - [ 0.0011424300000000, -0.0003549000000000, -0.0010907700000000 ] - [ -0.0000989100000000, -0.0005451200000000, -0.0000402200000000 ] - [ 0.0010217600000000, -0.0010163800000000, 0.0003997600000000 ] - [ -0.0005118200000000, -0.0005286400000000, 0.0000812800000000 ] - [ 0.0015238800000000, 0.0005540300000000, 0.0004047400000000 ] - [ -0.0004846200000000, -0.0004824100000000, 0.0000811500000000 ] - [ 0.0155106200000000, -0.0014886600000000, -0.0087837600000000 ] - [ -0.0003315700000000, 0.0004604700000000, -0.0001342400000000 ] - [ 0.0001792900000000, 0.0005332100000000, -0.0004341900000000 ] - [ -0.0001435800000000, 0.0004410600000000, 0.0000004800000000 ] - [ 0.0005289100000000, 0.0005198800000000, 0.0006121700000000 ] - [ -0.0003783200000000, 0.0001692600000000, -0.0001058100000000 ] - [ 0.0008251300000000, 0.0013764200000000, 0.0008944700000000 ] - [ -0.0003100500000000, 0.0004526400000000, -0.0001231500000000 ] - [ -0.0013686100000000, 0.0010758500000000, -0.0010886000000000 ] - [ 0.0006510700000000, 0.0004898100000000, -0.0000361900000000 ] - [ -0.0011716400000000, -0.0033133400000000, 0.0008325900000000 ] - [ 0.0005995100000000, 0.0001287300000000, -0.0000218600000000 ] - [ -0.0913825800000000, -0.0111583700000000, 0.0964273800000000 ] - [ 0.0003758100000000, 0.0002696400000000, 0.0003340900000000 ] - [ -0.0017043200000000, -0.0001933300000000, 0.0016023400000000 ] - [ 0.0002258500000000, 0.0003747500000000, 0.0001753600000000 ] - [ 0.0022733500000000, -0.0000263300000000, -0.0019343700000000 ] - [ -0.0004176100000000, -0.0001617700000000, 0.0005976400000000 ] - [ 0.0005323600000000, 0.0001225100000000, 0.0010671500000000 ] - [ -0.0000947500000000, -0.0000714300000000, 0.0008022000000000 ] - [ -0.0013628100000000, -0.0014040000000000, -0.0033237100000000 ] - [ 0.0006148100000000, -0.0002012400000000, -0.0010213600000000 ] - [ -0.0011973000000000, 0.0012016500000000, -0.0040985100000000 ] - [ 0.0005483900000000, 0.0000095100000000, -0.0010063400000000 ] - [ -0.0007000700000000, 0.0019987200000000, -0.0021011500000000 ] - [ 0.0002103700000000, -0.0005952100000000, 0.0002634800000000 ] - [ -0.0013252800000000, -0.0078520200000000, -0.0012318500000000 ] - [ 0.0001892300000000, -0.0005549600000000, 0.0002707300000000 ] - [ 0.0252934300000000, -0.0034333000000000, 0.0131533800000000 ] - [ 0.0002390000000000, -0.0006066600000000, -0.0000168100000000 ] - [ 0.0000354500000000, -0.0006038700000000, 0.0004892100000000 ] - [ 0.0002129300000000, -0.0005424000000000, -0.0001879500000000 ] - [ 0.0006366000000000, -0.0006933400000000, -0.0011251300000000 ] - [ 0.0001898400000000, 0.0000235300000000, -0.0003036600000000 ] - [ 0.0005904700000000, 0.0006311300000000, -0.0013120700000000 ] - [ 0.0002765200000000, -0.0000206600000000, -0.0003022200000000 ] - [ -0.0032910000000000, -0.0000015100000000, -0.0021948900000000 ] - [ 0.0005189500000000, 0.0000180300000000, 0.0001333100000000 ] - [ -0.0005283500000000, 0.0000276900000000, 0.0003584600000000 ] - [ 0.0000401500000000, -0.0000139400000000, 0.0001488900000000 ] - [ -0.0003639300000000, -0.0014989200000000, 0.0007652500000000 ] - [ 0.0000586000000000, 0.0000491300000000, 0.0000085200000000 ] - [ -0.0004693900000000, -0.0011217800000000, 0.0016343000000000 ] - [ 0.0000378100000000, 0.0000833300000000, -0.0000017900000000 ] - [ -0.0007642000000000, 0.0003215000000000, -0.0030725000000000 ] - [ 0.0002624100000000, 0.0000606600000000, -0.0000329300000000 ] - [ -0.0001002300000000, -0.0000355800000000, -0.0005115800000000 ] - [ 0.0002212100000000, 0.0000632600000000, -0.0000097200000000 ] - [ 0.0013593000000000, 0.0002251300000000, -0.0013312400000000 ] - [ -0.0001023800000000, 0.0000423700000000, -0.0007586100000000 ] - [ 0.0002031500000000, -0.0001041100000000, -0.0006316300000000 ] - [ -0.0000072300000000, -0.0001061400000000, -0.0005993500000000 ] - [ 0.0000789100000000, -0.0002322000000000, 0.0007545400000000 ] - [ 0.0003408000000000, -0.0000231100000000, 0.0009881200000000 ] - [ 0.0001361600000000, 0.0001455200000000, 0.0007783600000000 ] - [ -0.0000502400000000, 0.0001241100000000, 0.0009331600000000 ]- atom: 49 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ 0.0033042300000000, 0.0002449700000000, -0.0015936200000000 ] - [ -0.0001434200000000, -0.0002060500000000, -0.0000032800000000 ] - [ 0.0000743800000000, -0.0001620500000000, 0.0003737500000000 ] - [ 0.0000948800000000, -0.0000516500000000, 0.0000382300000000 ] - [ -0.0000723100000000, 0.0001608200000000, -0.0020296900000000 ] - [ 0.0000835000000000, -0.0001449000000000, -0.0001860400000000 ] - [ 0.0003497000000000, -0.0008829500000000, -0.0029849900000000 ] - [ 0.0000520400000000, -0.0001196200000000, -0.0001921000000000 ] - [ 0.0011266900000000, 0.0009626700000000, -0.0007260100000000 ] - [ 0.0002610600000000, 0.0004371400000000, 0.0005180800000000 ] - [ 0.0005608100000000, 0.0001111000000000, 0.0003764500000000 ] - [ 0.0003322900000000, 0.0003634700000000, 0.0006195400000000 ] - [ -0.0018378800000000, -0.0010363000000000, -0.0024158500000000 ] - [ -0.0000573100000000, 0.0002768600000000, -0.0006816000000000 ] - [ -0.0011433200000000, 0.0004848600000000, -0.0016266500000000 ] - [ -0.0001029700000000, 0.0004102400000000, -0.0006312700000000 ] - [ 0.0020843100000000, -0.0006276100000000, -0.0014601900000000 ] - [ 0.0007318400000000, -0.0000270300000000, -0.0001327400000000 ] - [ 0.0013568100000000, 0.0005543200000000, -0.0004595100000000 ] - [ 0.0008182500000000, 0.0001132900000000, -0.0000978800000000 ] - [ -0.0012541400000000, -0.0001889200000000, -0.0004938000000000 ] - [ -0.0005503600000000, 0.0000005800000000, 0.0000560600000000 ] - [ -0.0019353400000000, 0.0011814200000000, -0.0017457700000000 ] - [ -0.0005469500000000, 0.0001598200000000, 0.0000032000000000 ] - [ 0.0008791800000000, -0.0000387500000000, -0.0009606700000000 ] - [ -0.0010571900000000, -0.0000086700000000, -0.0006156000000000 ] - [ -0.0000941900000000, 0.0000468700000000, -0.0002179600000000 ] - [ -0.0005843400000000, 0.0000029300000000, -0.0002049300000000 ] - [ -0.0000632200000000, -0.0002477300000000, -0.0000705400000000 ] - [ 0.0010243200000000, -0.0001248500000000, 0.0000274100000000 ] - [ 0.0002466800000000, 0.0002370300000000, -0.0003749200000000 ] - [ 0.0009495700000000, 0.0001510800000000, -0.0000146100000000 ] - [ -0.0017608100000000, 0.0018062800000000, 0.0005573900000000 ] - [ 0.0001534600000000, -0.0000268000000000, 0.0003144800000000 ] - [ -0.0002511100000000, -0.0007420200000000, 0.0015926900000000 ] - [ 0.0000307800000000, -0.0000832500000000, 0.0003972900000000 ] - [ 0.0273558800000000, -0.0090731200000000, -0.0167378500000000 ] - [ 0.0001772700000000, 0.0000208800000000, -0.0001947500000000 ] - [ -0.0002381200000000, 0.0005647600000000, 0.0000971700000000 ] - [ 0.0001561400000000, 0.0000027300000000, -0.0002594300000000 ] - [ -0.0037100600000000, -0.0032321800000000, -0.0017638200000000 ] - [ -0.0006229700000000, 0.0000835500000000, 0.0000521100000000 ] - [ -0.0011871600000000, 0.0006823700000000, -0.0000734900000000 ] - [ -0.0007927200000000, 0.0003019700000000, -0.0000304700000000 ] - [ 0.0125766900000000, 0.0077152700000000, 0.0047448200000000 ] - [ 0.0010868300000000, 0.0001815200000000, 0.0001431100000000 ] - [ 0.0005637400000000, -0.0012029800000000, 0.0013039900000000 ] - [ 0.0010765800000000, 0.0002534400000000, 0.0001170300000000 ] - [ -0.0885293700000000, -0.0198181800000000, 0.1141615000000000 ] - [ 0.0003927400000000, -0.0005463000000000, 0.0000089000000000 ] - [ -0.0009289100000000, -0.0007171200000000, 0.0010298900000000 ] - [ 0.0003206900000000, -0.0005267700000000, -0.0000249300000000 ] - [ -0.0012472200000000, -0.0000583100000000, -0.0003397400000000 ] - [ 0.0002976500000000, -0.0005444900000000, -0.0000199600000000 ] - [ -0.0017364600000000, -0.0016249400000000, -0.0003395300000000 ] - [ 0.0002675800000000, -0.0005914400000000, -0.0000197800000000 ] - [ -0.0152926400000000, 0.0022991200000000, 0.0091229700000000 ] - [ 0.0004708600000000, 0.0003273000000000, 0.0004492200000000 ] - [ -0.0000437300000000, 0.0002552400000000, 0.0007464400000000 ] - [ 0.0002831200000000, 0.0003467500000000, 0.0003152200000000 ] - [ -0.0006688300000000, 0.0002681400000000, -0.0009310300000000 ] - [ 0.0002435500000000, 0.0006204300000000, -0.0002116600000000 ] - [ -0.0009631700000000, -0.0005870500000000, -0.0012090300000000 ] - [ 0.0001738000000000, 0.0003366100000000, -0.0001937200000000 ] - [ 0.0015915800000000, -0.0003447500000000, 0.0009009300000000 ] - [ -0.0004344900000000, 0.0002445400000000, -0.0001596400000000 ] - [ 0.0013900000000000, 0.0040464300000000, -0.0010296600000000 ] - [ -0.0003821100000000, 0.0006074500000000, -0.0001751800000000 ] - [ 0.0889134300000000, 0.0116127000000000, -0.0964804200000000 ] - [ -0.0005999900000000, 0.0004666700000000, -0.0001366000000000 ] - [ 0.0014951900000000, 0.0009220300000000, -0.0014125800000000 ] - [ -0.0004483100000000, 0.0003606800000000, 0.0000233800000000 ] - [ -0.0026424100000000, -0.0002379500000000, 0.0032764300000000 ] - [ 0.0000576700000000, -0.0000993600000000, 0.0007321300000000 ] - [ -0.0008862600000000, -0.0003859300000000, 0.0002662000000000 ] - [ -0.0002571700000000, -0.0001916500000000, 0.0005295000000000 ] - [ 0.0017201900000000, 0.0011448100000000, 0.0019984400000000 ] - [ -0.0002662000000000, -0.0000617000000000, -0.0003123500000000 ] - [ 0.0015548400000000, -0.0014682500000000, 0.0027536300000000 ] - [ -0.0001990400000000, -0.0002739500000000, -0.0003274300000000 ] - [ 0.0006892800000000, -0.0031544100000000, 0.0026328600000000 ] - [ -0.0002398800000000, -0.0005420100000000, 0.0002424400000000 ] - [ 0.0012865000000000, 0.0066931400000000, 0.0017423100000000 ] - [ -0.0002182300000000, -0.0005821200000000, 0.0002350100000000 ] - [ -0.0250035200000000, 0.0022772800000000, -0.0139947900000000 ] - [ -0.0002168200000000, -0.0005334700000000, -0.0004875800000000 ] - [ -0.0000072500000000, -0.0005389600000000, -0.0009971900000000 ] - [ -0.0001887600000000, -0.0005983200000000, -0.0003184800000000 ] - [ -0.0002664200000000, 0.0006707600000000, 0.0009461700000000 ] - [ 0.0001844500000000, -0.0000524900000000, 0.0001188200000000 ] - [ -0.0002208900000000, -0.0006622500000000, 0.0011303800000000 ] - [ 0.0000987500000000, -0.0000053600000000, 0.0001172800000000 ] - [ 0.0029444400000000, -0.0000291000000000, 0.0023309600000000 ] - [ -0.0008957200000000, -0.0000429700000000, 0.0000483800000000 ] - [ 0.0001570300000000, -0.0000548800000000, -0.0001770400000000 ] - [ -0.0004141900000000, -0.0000116700000000, 0.0000325500000000 ] - [ 0.0001953400000000, 0.0016067100000000, -0.0008385300000000 ] - [ -0.0002387100000000, 0.0000792800000000, -0.0000664600000000 ] - [ 0.0003055300000000, 0.0013231600000000, -0.0017085100000000 ] - [ -0.0002178600000000, 0.0000457900000000, -0.0000560400000000 ] - [ 0.0009410000000000, -0.0001901800000000, 0.0031319600000000 ] - [ -0.0000860200000000, 0.0000684900000000, 0.0000897400000000 ] - [ 0.0002799600000000, 0.0001629600000000, 0.0005700300000000 ] - [ -0.0000443900000000, 0.0000655100000000, 0.0000668300000000 ] - [ -0.0012430400000000, -0.0003448500000000, 0.0003299300000000 ] - [ 0.0002158800000000, -0.0001658700000000, -0.0002440400000000 ] - [ -0.0000882200000000, -0.0000213700000000, -0.0003712500000000 ] - [ 0.0001214100000000, -0.0000182300000000, -0.0004037400000000 ] - [ -0.0001947800000000, 0.0001091100000000, 0.0002470100000000 ] - [ -0.0004623500000000, -0.0001081400000000, 0.0000111200000000 ] - [ -0.0002528800000000, -0.0002705900000000, 0.0002238500000000 ] - [ -0.0000682400000000, -0.0002405700000000, 0.0000717200000000 ]- atom: 57 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ 0.0025285700000000, 0.0000331400000000, -0.0025799800000000 ] - [ 0.0043399600000000, 0.0002113800000000, 0.0009551400000000 ] - [ 0.0003626300000000, -0.0001769700000000, -0.0003131200000000 ] - [ 0.0002954600000000, -0.0003380900000000, 0.0002658800000000 ] - [ -0.0013053800000000, -0.0002263300000000, 0.0023915300000000 ] - [ 0.0007411000000000, -0.0002040700000000, -0.0002710700000000 ] - [ -0.0014763400000000, -0.0000025400000000, 0.0021238900000000 ] - [ 0.0007503500000000, -0.0001733100000000, -0.0002975600000000 ] - [ 0.0007176700000000, 0.0007687400000000, -0.0000926900000000 ] - [ 0.0021374300000000, -0.0012301900000000, 0.0017089100000000 ] - [ 0.0006146100000000, 0.0000607200000000, 0.0005888800000000 ] - [ 0.0003929800000000, 0.0005111600000000, 0.0008034600000000 ] - [ -0.0028217900000000, 0.0013536700000000, 0.0008967300000000 ] - [ 0.0006376200000000, 0.0004847100000000, -0.0005370600000000 ] - [ -0.0017956300000000, -0.0002749900000000, -0.0006497500000000 ] - [ 0.0005479600000000, 0.0004856000000000, -0.0004962300000000 ] - [ 0.0013410200000000, -0.0004063600000000, -0.0009041700000000 ] - [ 0.0026546700000000, 0.0020583300000000, 0.0006117400000000 ] - [ 0.0011643200000000, 0.0004304800000000, -0.0001901300000000 ] - [ 0.0009109700000000, -0.0004149400000000, 0.0000585000000000 ] - [ -0.0019676900000000, 0.0005129600000000, 0.0003305800000000 ] - [ 0.0000628100000000, -0.0001236300000000, 0.0001291900000000 ] - [ -0.0036340600000000, -0.0006333900000000, 0.0020346300000000 ] - [ 0.0001896600000000, -0.0000731100000000, 0.0000925900000000 ] - [ 0.0013223400000000, -0.0001248400000000, -0.0010967200000000 ] - [ 0.0076773400000000, 0.0007380600000000, 0.0050082100000000 ] - [ 0.0005397700000000, -0.0000063100000000, -0.0003276100000000 ] - [ -0.0013211600000000, -0.0002141300000000, 0.0000178000000000 ] - [ -0.0015165100000000, 0.0006358800000000, 0.0014304600000000 ] - [ 0.0020283400000000, -0.0000699900000000, -0.0000395000000000 ] - [ -0.0016286000000000, -0.0011383700000000, 0.0021496100000000 ] - [ 0.0020365400000000, 0.0001334600000000, -0.0000516700000000 ] - [ 0.0015744900000000, -0.0033890200000000, 0.0025934400000000 ] - [ 0.0006274900000000, 0.0007004600000000, -0.0004098300000000 ] - [ 0.0000790900000000, 0.0010083400000000, 0.0001027500000000 ] - [ 0.0008427300000000, -0.0003823900000000, -0.0001542600000000 ] - [ -0.0036880500000000, 0.0003249800000000, 0.0125098300000000 ] - [ 0.0009410000000000, -0.0000016000000000, -0.0003944400000000 ] - [ -0.0007397900000000, -0.0009364000000000, -0.0005748200000000 ] - [ 0.0007092600000000, -0.0000059600000000, -0.0003578300000000 ] - [ 0.0004850200000000, 0.0029900300000000, 0.0019844300000000 ] - [ -0.0001620800000000, -0.0003737600000000, -0.0007651900000000 ] - [ -0.0008428000000000, -0.0009992200000000, 0.0002945300000000 ] - [ -0.0007272700000000, 0.0004791600000000, -0.0002868600000000 ] - [ -0.0052082300000000, -0.0077336400000000, 0.0066625700000000 ] - [ 0.0018071500000000, 0.0004165500000000, 0.0000501200000000 ] - [ -0.0006825100000000, 0.0005408200000000, -0.0005791200000000 ] - [ 0.0016727800000000, 0.0002360100000000, 0.0001176100000000 ] - [ 0.0433236800000000, -0.0103993600000000, 0.0157552300000000 ] - [ 0.0022752700000000, -0.0004129200000000, -0.0003913400000000 ] - [ -0.0014613400000000, -0.0006937000000000, 0.0001098800000000 ] - [ 0.0014207000000000, -0.0005348300000000, -0.0002054200000000 ] - [ -0.0004318900000000, -0.0012306800000000, 0.0008908400000000 ] - [ 0.0010848800000000, -0.0004330500000000, -0.0002356400000000 ] - [ -0.0006028200000000, 0.0004555800000000, 0.0005950600000000 ] - [ 0.0013584000000000, -0.0007782700000000, -0.0003066500000000 ] - [ -0.2100515000000000, 0.0819021500000000, -0.1565517000000000 ] - [ 0.0014469400000000, 0.0001754800000000, 0.0007170900000000 ] - [ -0.0016421600000000, 0.0005858200000000, -0.0008643500000000 ] - [ 0.0010466500000000, 0.0001761200000000, 0.0005859700000000 ] - [ 0.0005917300000000, 0.0002032300000000, 0.0008503600000000 ] - [ 0.0000830000000000, 0.0007115800000000, -0.0000116600000000 ] - [ 0.0005922400000000, 0.0013535200000000, 0.0006417300000000 ] - [ 0.0000833900000000, 0.0000369100000000, -0.0001457200000000 ] - [ -0.0000505400000000, 0.0024333900000000, -0.0032964800000000 ] - [ -0.0010732500000000, -0.0002960400000000, 0.0008789000000000 ] - [ 0.0002493300000000, -0.0032029900000000, -0.0010963500000000 ] - [ -0.0014179800000000, 0.0012237500000000, 0.0009125100000000 ] - [ 0.1712034700000000, -0.0601191400000000, 0.1144613400000000 ] - [ -0.0027490100000000, 0.0003456100000000, 0.0002328500000000 ] - [ 0.0025896600000000, 0.0006368300000000, 0.0012527000000000 ] - [ -0.0019749100000000, 0.0004784100000000, 0.0001286700000000 ] - [ -0.0018046200000000, 0.0002213600000000, 0.0042486500000000 ] - [ -0.0072290700000000, -0.0003694200000000, -0.0008386700000000 ] - [ -0.0013473000000000, -0.0001310800000000, 0.0009814900000000 ] - [ 0.0003168000000000, 0.0002751200000000, -0.0001547600000000 ] - [ 0.0025365400000000, -0.0012974800000000, -0.0034364100000000 ] - [ -0.0017228100000000, -0.0001955300000000, -0.0003727800000000 ] - [ 0.0037447600000000, 0.0017444400000000, -0.0035503900000000 ] - [ -0.0017360300000000, -0.0002252700000000, -0.0003442600000000 ] - [ 0.0009199900000000, 0.0019843600000000, -0.0025278000000000 ] - [ -0.0011610900000000, -0.0005876100000000, 0.0003525000000000 ] - [ 0.0018875200000000, -0.0045601600000000, -0.0010101900000000 ] - [ -0.0012934900000000, -0.0005103600000000, 0.0003085700000000 ] - [ -0.0101780000000000, 0.0000841300000000, -0.0031218700000000 ] - [ -0.0025577300000000, -0.0011619900000000, 0.0011621200000000 ] - [ 0.0003622400000000, -0.0007485300000000, 0.0002550900000000 ] - [ -0.0009518200000000, -0.0001503600000000, -0.0002099500000000 ] - [ -0.0007578000000000, 0.0005450700000000, -0.0003114500000000 ] - [ 0.0005936300000000, -0.0013512300000000, -0.0008012200000000 ] - [ -0.0007535900000000, -0.0004563100000000, -0.0003948500000000 ] - [ 0.0002789000000000, 0.0011887700000000, -0.0007356700000000 ] - [ 0.0041424400000000, 0.0002815400000000, -0.0013482500000000 ] - [ -0.0017321600000000, -0.0000658000000000, -0.0001159300000000 ] - [ 0.0012642600000000, 0.0002997700000000, 0.0003406300000000 ] - [ -0.0011946100000000, -0.0000032100000000, -0.0000822600000000 ] - [ 0.0005155500000000, 0.0016631300000000, 0.0011571900000000 ] - [ -0.0009429600000000, -0.0001708600000000, -0.0000401300000000 ] - [ 0.0003639500000000, -0.0022266900000000, 0.0014203500000000 ] - [ -0.0010949600000000, 0.0003238400000000, -0.0000726200000000 ] - [ 0.0006631600000000, 0.0001168200000000, -0.0010044100000000 ] - [ -0.0008577800000000, -0.0000077900000000, -0.0001153200000000 ] - [ 0.0007183900000000, 0.0000954300000000, -0.0002164500000000 ] - [ -0.0005357400000000, 0.0001195900000000, 0.0000435300000000 ] - [ 0.0014957100000000, -0.0002827100000000, -0.0000365100000000 ] - [ -0.0009595500000000, -0.0000428200000000, -0.0005892700000000 ] - [ 0.0008147800000000, 0.0001038400000000, -0.0005794300000000 ] - [ -0.0006635300000000, -0.0000569800000000, -0.0005105400000000 ] - [ -0.0010460900000000, 0.0002056300000000, 0.0006139000000000 ] - [ 0.0003045300000000, -0.0028678700000000, 0.0008786900000000 ] - [ -0.0009726000000000, -0.0003389600000000, 0.0005567400000000 ] - [ 0.0014609700000000, 0.0004776500000000, 0.0007507200000000 ]- atom: 57 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ -0.0024970200000000, -0.0003374500000000, 0.0025049700000000 ] - [ -0.0043512000000000, -0.0005168100000000, -0.0010323700000000 ] - [ -0.0003497500000000, -0.0001299200000000, 0.0002567300000000 ] - [ -0.0002817300000000, 0.0000319700000000, -0.0003241200000000 ] - [ 0.0012985200000000, -0.0000711300000000, -0.0023300700000000 ] - [ -0.0007564100000000, -0.0001013700000000, 0.0003280100000000 ] - [ 0.0014664000000000, -0.0003119000000000, -0.0020597200000000 ] - [ -0.0007596700000000, -0.0001335400000000, 0.0003468300000000 ] - [ -0.0001380800000000, -0.0000289100000000, 0.0012949500000000 ] - [ -0.0015538000000000, 0.0019709600000000, -0.0005061600000000 ] - [ -0.0000310000000000, 0.0006800100000000, 0.0006167400000000 ] - [ 0.0001895100000000, 0.0002240300000000, 0.0004045400000000 ] - [ 0.0022391600000000, -0.0005494700000000, -0.0020554000000000 ] - [ -0.0012242100000000, 0.0002568400000000, -0.0006686100000000 ] - [ 0.0012119000000000, 0.0010101500000000, -0.0005576500000000 ] - [ -0.0011288800000000, 0.0002548300000000, -0.0007099600000000 ] - [ 0.0001814500000000, 0.0005341400000000, 0.0006659100000000 ] - [ -0.0011344500000000, -0.0019298700000000, -0.0008428000000000 ] - [ 0.0003535400000000, -0.0002969400000000, -0.0000379800000000 ] - [ 0.0006117000000000, 0.0005537600000000, -0.0002853500000000 ] - [ 0.0004451800000000, -0.0003643400000000, -0.0001041700000000 ] - [ -0.0015811900000000, 0.0002568200000000, 0.0000990600000000 ] - [ 0.0021226800000000, 0.0007266500000000, -0.0017760500000000 ] - [ -0.0017104500000000, 0.0002036500000000, 0.0001384400000000 ] - [ -0.0023752300000000, 0.0001222600000000, 0.0006844800000000 ] - [ -0.0087416900000000, -0.0007512900000000, -0.0054546100000000 ] - [ -0.0016030600000000, 0.0000029800000000, -0.0000786400000000 ] - [ 0.0002723100000000, 0.0002124200000000, -0.0004262700000000 ] - [ 0.0026028700000000, -0.0006339800000000, -0.0010271100000000 ] - [ -0.0009686900000000, 0.0000664900000000, 0.0004451100000000 ] - [ 0.0027072100000000, 0.0011327200000000, -0.0017470300000000 ] - [ -0.0009767800000000, -0.0001366000000000, 0.0004603700000000 ] - [ -0.0016999400000000, 0.0033452000000000, -0.0019656900000000 ] - [ -0.0007620500000000, -0.0007233200000000, 0.0010203700000000 ] - [ -0.0002191700000000, -0.0010150200000000, 0.0005026000000000 ] - [ -0.0009783500000000, 0.0003712300000000, 0.0007590600000000 ] - [ 0.0037104300000000, -0.0003471800000000, -0.0130368000000000 ] - [ -0.0008021200000000, -0.0000065900000000, -0.0002103200000000 ] - [ 0.0008744200000000, 0.0009266200000000, -0.0000301100000000 ] - [ -0.0005722100000000, -0.0000115900000000, -0.0002471100000000 ] - [ -0.0023879700000000, -0.0025026200000000, -0.0021197900000000 ] - [ -0.0017474600000000, 0.0008428000000000, 0.0006175900000000 ] - [ -0.0010736200000000, 0.0014535700000000, -0.0004417400000000 ] - [ -0.0011824900000000, -0.0000166100000000, 0.0001322900000000 ] - [ 0.0069628800000000, 0.0082893600000000, -0.0065860700000000 ] - [ 0.0001051300000000, 0.0000473400000000, 0.0001001900000000 ] - [ 0.0025911000000000, -0.0000802400000000, 0.0007277400000000 ] - [ 0.0002418900000000, 0.0002264900000000, 0.0000384400000000 ] - [ -0.0420522300000000, 0.0090765600000000, -0.0154873100000000 ] - [ -0.0021375600000000, -0.0006667400000000, 0.0003330500000000 ] - [ 0.0015926000000000, -0.0003880100000000, -0.0001612300000000 ] - [ -0.0012726400000000, -0.0005446300000000, 0.0001497200000000 ] - [ 0.0002621900000000, 0.0001521000000000, -0.0008301300000000 ] - [ -0.0012168700000000, -0.0006475100000000, 0.0002924500000000 ] - [ 0.0004506400000000, -0.0015328300000000, -0.0005324500000000 ] - [ -0.0015035000000000, -0.0003025000000000, 0.0003610600000000 ] - [ 0.2044972700000000, -0.0776614600000000, 0.1494261300000000 ] - [ -0.0012438900000000, 0.0005846400000000, -0.0003790400000000 ] - [ 0.0018458400000000, 0.0001736900000000, 0.0012067900000000 ] - [ -0.0008444100000000, 0.0005853800000000, -0.0002409200000000 ] - [ -0.0007962800000000, 0.0005556200000000, -0.0011843900000000 ] - [ -0.0002788200000000, 0.0000510900000000, -0.0003356300000000 ] - [ -0.0007954400000000, -0.0005836800000000, -0.0009828400000000 ] - [ -0.0002782400000000, 0.0007278200000000, -0.0002003500000000 ] - [ 0.0003116400000000, -0.0016872900000000, 0.0030615900000000 ] - [ 0.0013001400000000, 0.0010313600000000, -0.0010845900000000 ] - [ 0.0000015400000000, 0.0039064800000000, 0.0008836600000000 ] - [ 0.0016463900000000, -0.0004964100000000, -0.0011184500000000 ] - [ -0.1664560000000000, 0.0573125000000000, -0.1074726000000000 ] - [ 0.0025186900000000, 0.0003873600000000, -0.0000342700000000 ] - [ -0.0028097000000000, 0.0000989100000000, -0.0010667700000000 ] - [ 0.0017422900000000, 0.0002544500000000, 0.0000734100000000 ] - [ 0.0014527500000000, -0.0004779800000000, -0.0028720400000000 ] - [ 0.0068615200000000, 0.0001131100000000, 0.0022196000000000 ] - [ 0.0010003700000000, -0.0001324500000000, 0.0003671500000000 ] - [ -0.0006774700000000, -0.0005387300000000, 0.0015094700000000 ] - [ -0.0022263000000000, 0.0009928700000000, 0.0020795800000000 ] - [ 0.0020758300000000, -0.0000666200000000, -0.0009768600000000 ] - [ -0.0034252000000000, -0.0019749800000000, 0.0022020000000000 ] - [ 0.0020899400000000, -0.0000395400000000, -0.0010034400000000 ] - [ -0.0009390000000000, -0.0031472000000000, 0.0030566400000000 ] - [ 0.0011299300000000, -0.0005499800000000, 0.0001476700000000 ] - [ -0.0019040200000000, 0.0034332300000000, 0.0015177100000000 ] - [ 0.0012623700000000, -0.0006281900000000, 0.0001921000000000 ] - [ 0.0101354800000000, -0.0012204500000000, 0.0025907500000000 ] - [ 0.0025928800000000, 0.0000220400000000, -0.0016678000000000 ] - [ -0.0003231300000000, -0.0003948200000000, -0.0007540100000000 ] - [ 0.0009813900000000, -0.0009929400000000, -0.0002920300000000 ] - [ 0.0011265500000000, -0.0005693400000000, 0.0001197300000000 ] - [ -0.0002369200000000, 0.0013251700000000, 0.0006084100000000 ] - [ 0.0011219200000000, 0.0004256800000000, 0.0002018400000000 ] - [ 0.0000813400000000, -0.0012187600000000, 0.0005423700000000 ] - [ -0.0045125800000000, -0.0001849300000000, 0.0018688300000000 ] - [ 0.0013637200000000, 0.0000400400000000, 0.0003078700000000 ] - [ -0.0016373200000000, -0.0003292700000000, -0.0001450400000000 ] - [ 0.0008294000000000, -0.0000233500000000, 0.0002737800000000 ] - [ -0.0006811700000000, -0.0015256900000000, -0.0012148600000000 ] - [ 0.0007628600000000, 0.0003002200000000, -0.0000226900000000 ] - [ -0.0005217100000000, 0.0023481800000000, -0.0014776200000000 ] - [ 0.0009154400000000, -0.0001958400000000, 0.0000100900000000 ] - [ -0.0004693500000000, 0.0000142800000000, 0.0010643300000000 ] - [ 0.0010366000000000, 0.0001374800000000, 0.0001777800000000 ] - [ -0.0005317600000000, 0.0000321300000000, 0.0002790900000000 ] - [ 0.0007144100000000, 0.0000093200000000, 0.0000187800000000 ] - [ -0.0013915000000000, 0.0001573700000000, -0.0009719100000000 ] - [ 0.0010729400000000, -0.0000832400000000, -0.0004167200000000 ] - [ -0.0007041000000000, -0.0002311500000000, -0.0004265500000000 ] - [ 0.0007791400000000, -0.0000692200000000, -0.0004946200000000 ] - [ 0.0009301700000000, -0.0003293900000000, 0.0003909000000000 ] - [ -0.0004363200000000, 0.0027385800000000, 0.0001262600000000 ] - [ 0.0008572000000000, 0.0002102700000000, 0.0004484100000000 ] - [ -0.0016395300000000, -0.0005094300000000, 0.0002553800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003420200000000, -0.0003797100000000, 0.0004482600000000 ] - [ -0.0005198400000000, -0.0012411000000000, -0.0002213800000000 ] - [ -0.0000742100000000, 0.0000950300000000, 0.0000951700000000 ] - [ -0.0000286400000000, 0.0007681900000000, -0.0000668500000000 ] - [ 0.0011018200000000, 0.0004910300000000, -0.0020899700000000 ] - [ -0.0001667000000000, -0.0001475500000000, 0.0000504200000000 ] - [ -0.0000705000000000, 0.0006357500000000, -0.0009032700000000 ] - [ -0.0001460400000000, -0.0001436000000000, 0.0000802200000000 ] - [ 0.0005835200000000, -0.0001163800000000, 0.0007032000000000 ] - [ 0.0001760300000000, -0.0000592400000000, 0.0005618400000000 ] - [ -0.0000129200000000, 0.0008645600000000, 0.0005267100000000 ] - [ 0.0002827500000000, 0.0008916600000000, 0.0003773600000000 ] - [ -0.0005885500000000, 0.0027212800000000, 0.0024682300000000 ] - [ -0.0004580900000000, 0.0002883300000000, -0.0006325500000000 ] - [ -0.0000168100000000, 0.0020448800000000, -0.0007013200000000 ] - [ -0.0004383300000000, 0.0003923900000000, -0.0006203400000000 ] - [ 0.0004815900000000, -0.0003267800000000, 0.0000049000000000 ] - [ 0.0005771000000000, -0.0006949500000000, -0.0002883300000000 ] - [ 0.0010930900000000, 0.0005969700000000, -0.0002152500000000 ] - [ 0.0006206000000000, 0.0007079300000000, -0.0001445600000000 ] - [ -0.0005926000000000, 0.0017571000000000, -0.0004651500000000 ] - [ -0.0009313700000000, 0.0001736600000000, 0.0000921800000000 ] - [ 0.0000364800000000, 0.0022077600000000, -0.0040497300000000 ] - [ -0.0009171900000000, 0.0000423300000000, 0.0001138600000000 ] - [ -0.0007802900000000, -0.0001441000000000, -0.0000716600000000 ] - [ -0.0008602600000000, -0.0014501400000000, -0.0006084600000000 ] - [ -0.0006761900000000, 0.0001703900000000, -0.0001905800000000 ] - [ -0.0004171500000000, 0.0006797600000000, -0.0003030400000000 ] - [ 0.0019212300000000, 0.0003560200000000, -0.0001419900000000 ] - [ 0.0001559000000000, 0.0000105800000000, 0.0002183200000000 ] - [ -0.0000200400000000, 0.0004793900000000, -0.0008757800000000 ] - [ 0.0003691400000000, -0.0000285700000000, 0.0002619100000000 ] - [ -0.0007688700000000, -0.0001556000000000, 0.0004823500000000 ] - [ 0.0002842000000000, -0.0001780100000000, 0.0002192300000000 ] - [ 0.0002112900000000, 0.0000275800000000, 0.0004100100000000 ] - [ -0.0009111700000000, 0.0001274700000000, 0.0008399400000000 ] - [ 0.0047524200000000, -0.0101539500000000, 0.0093985700000000 ] - [ -0.0000998200000000, -0.0001018700000000, -0.0003353800000000 ] - [ 0.0001651500000000, 0.0039898400000000, 0.0008664000000000 ] - [ -0.0000562200000000, 0.0000919800000000, -0.0002328500000000 ] - [ -0.0010563500000000, -0.0006660900000000, -0.0006504100000000 ] - [ -0.0012533900000000, -0.0001073300000000, 0.0000538500000000 ] - [ -0.0014303100000000, 0.0010673900000000, 0.0002283200000000 ] - [ -0.0008672000000000, 0.0006018700000000, -0.0000010400000000 ] - [ -0.0158944300000000, 0.0256743000000000, -0.0276515800000000 ] - [ 0.0008150000000000, 0.0001051600000000, 0.0001020800000000 ] - [ 0.0021691900000000, 0.0043161500000000, 0.0009393000000000 ] - [ 0.0008029700000000, 0.0003254000000000, 0.0000606400000000 ] - [ -0.0041226200000000, -0.0100847300000000, -0.0019752800000000 ] - [ -0.0002727000000000, -0.0006647500000000, 0.0000346500000000 ] - [ 0.0005374100000000, 0.0007597500000000, 0.0001097400000000 ] - [ -0.0002446900000000, -0.0004349500000000, 0.0000167500000000 ] - [ -0.0031736800000000, 0.0002402800000000, -0.0009603400000000 ] - [ 0.0000290800000000, -0.0004830700000000, -0.0000292400000000 ] - [ 0.0008590700000000, -0.0006717300000000, -0.0000925800000000 ] - [ -0.0006767600000000, -0.0005982100000000, 0.0002530000000000 ] - [ 0.0794287600000000, -0.0950988400000000, 0.0586244400000000 ] - [ -0.0001084000000000, 0.0003640300000000, 0.0001035800000000 ] - [ 0.0003064900000000, 0.0021228400000000, 0.0004442100000000 ] - [ -0.0001106300000000, 0.0004793000000000, 0.0001027200000000 ] - [ -0.0010643900000000, 0.0002440400000000, -0.0005163200000000 ] - [ 0.0002484500000000, 0.0003986600000000, -0.0001783400000000 ] - [ 0.0000765500000000, 0.0002396400000000, -0.0002460100000000 ] - [ -0.0004263400000000, 0.0003977100000000, -0.0001746000000000 ] - [ 0.0029753400000000, -0.0004024400000000, -0.0008252000000000 ] - [ -0.0002043000000000, -0.0000665200000000, -0.0000671300000000 ] - [ -0.0008675400000000, 0.0013473500000000, 0.0002125500000000 ] - [ 0.0009050500000000, 0.0008400800000000, -0.0007970800000000 ] - [ -0.0597831000000000, 0.0847431200000000, -0.0536080400000000 ] - [ 0.0003088200000000, 0.0005345900000000, 0.0001056600000000 ] - [ -0.0008730600000000, -0.0054014000000000, -0.0014000400000000 ] - [ 0.0002963000000000, 0.0001854800000000, 0.0000364800000000 ] - [ -0.0000668000000000, 0.0006421900000000, 0.0000122200000000 ] - [ 0.0001289500000000, 0.0009895100000000, 0.0013200500000000 ] - [ -0.0000176000000000, -0.0010513400000000, 0.0005901700000000 ] - [ -0.0001270800000000, -0.0013591900000000, 0.0009258400000000 ] - [ -0.0016303800000000, -0.0028331100000000, 0.0004864900000000 ] - [ 0.0006291800000000, -0.0001342500000000, -0.0006854900000000 ] - [ 0.0008194000000000, -0.0033616900000000, 0.0007794200000000 ] - [ 0.0004306700000000, -0.0001053900000000, -0.0007190900000000 ] - [ 0.0011660600000000, -0.0064538700000000, 0.0067351200000000 ] - [ 0.0000852800000000, -0.0006098700000000, 0.0001849900000000 ] - [ -0.0016979900000000, -0.0012486500000000, -0.0011912400000000 ] - [ 0.0003656800000000, -0.0005338700000000, 0.0002799900000000 ] - [ 0.0015505300000000, -0.0003901700000000, -0.0000515100000000 ] - [ 0.0003137800000000, 0.0001129100000000, -0.0003875800000000 ] - [ -0.0001054700000000, -0.0012259900000000, -0.0005549700000000 ] - [ 0.0003214500000000, -0.0013065700000000, -0.0003227400000000 ] - [ 0.0005657200000000, -0.0000703800000000, 0.0002409700000000 ] - [ -0.0007192000000000, 0.0001120200000000, -0.0000524100000000 ] - [ 0.0001112200000000, 0.0000229300000000, -0.0000137400000000 ] - [ 0.0011148100000000, -0.0000732700000000, 0.0001729700000000 ] - [ 0.0003032900000000, 0.0062741800000000, 0.0148874900000000 ] - [ 0.0000605900000000, 0.0000764500000000, 0.0001285200000000 ] - [ -0.0005065300000000, -0.0020136100000000, 0.0001020500000000 ] - [ -0.0000007300000000, -0.0000974300000000, 0.0001355100000000 ] - [ 0.0010092700000000, -0.0007073800000000, -0.0008543300000000 ] - [ -0.0000467500000000, 0.0000607400000000, -0.0000478300000000 ] - [ -0.0026069300000000, -0.0008785400000000, 0.0004658100000000 ] - [ 0.0002269600000000, 0.0000756900000000, 0.0000149700000000 ] - [ -0.0001299400000000, 0.0010902900000000, 0.0003203900000000 ] - [ 0.0002312300000000, 0.0002006800000000, 0.0000383000000000 ] - [ -0.0000073800000000, -0.0006674400000000, 0.0002353300000000 ] - [ 0.0002249800000000, -0.0000737100000000, 0.0000356200000000 ] - [ -0.0001149500000000, 0.0012384200000000, -0.0004516200000000 ] - [ 0.0002485400000000, 0.0000582000000000, -0.0004767000000000 ] - [ -0.0002013200000000, -0.0009151000000000, -0.0004483000000000 ] - [ 0.0002306200000000, -0.0001871300000000, -0.0004819100000000 ] - [ 0.0002048400000000, -0.0001026400000000, 0.0004369000000000 ] - [ -0.0025186500000000, -0.0016106400000000, -0.0001555300000000 ] - [ 0.0000122300000000, -0.0000230300000000, 0.0004899000000000 ] - [ -0.0001047000000000, 0.0014827100000000, 0.0005605700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003394100000000, 0.0000705200000000, -0.0004785300000000 ] - [ 0.0005319900000000, 0.0009281000000000, 0.0001808200000000 ] - [ 0.0000857500000000, -0.0004030200000000, -0.0001373500000000 ] - [ 0.0000356100000000, -0.0010738000000000, 0.0000215400000000 ] - [ -0.0011183400000000, -0.0007956500000000, 0.0021533000000000 ] - [ 0.0001525200000000, -0.0001588300000000, -0.0000089600000000 ] - [ 0.0000649000000000, -0.0009511600000000, 0.0009299800000000 ] - [ 0.0001314700000000, -0.0001634500000000, -0.0000408300000000 ] - [ -0.0000086800000000, 0.0008458300000000, 0.0005070600000000 ] - [ 0.0003937100000000, 0.0007948400000000, 0.0006433000000000 ] - [ 0.0005842300000000, -0.0001238000000000, 0.0006777900000000 ] - [ 0.0002880900000000, -0.0001523500000000, 0.0008265900000000 ] - [ 0.0000241800000000, -0.0019663900000000, -0.0036733000000000 ] - [ -0.0001146900000000, 0.0004460400000000, -0.0005732800000000 ] - [ -0.0005519100000000, -0.0013074100000000, -0.0005121400000000 ] - [ -0.0001358500000000, 0.0003447700000000, -0.0005837200000000 ] - [ 0.0010345900000000, 0.0004674400000000, -0.0002240200000000 ] - [ 0.0009416200000000, 0.0008295000000000, 0.0000667900000000 ] - [ 0.0004306400000000, -0.0004603900000000, -0.0000091300000000 ] - [ 0.0008975600000000, -0.0005674600000000, -0.0000787300000000 ] - [ -0.0009237900000000, -0.0016144300000000, 0.0006871000000000 ] - [ -0.0005908500000000, -0.0000343600000000, 0.0001308600000000 ] - [ -0.0015420400000000, -0.0020826300000000, 0.0042453500000000 ] - [ -0.0006026200000000, 0.0000970000000000, 0.0001083900000000 ] - [ -0.0002892700000000, 0.0001391700000000, -0.0003445800000000 ] - [ -0.0002000200000000, 0.0014344500000000, 0.0001832600000000 ] - [ -0.0003839100000000, -0.0001772800000000, -0.0002299600000000 ] - [ -0.0006398100000000, -0.0006835600000000, -0.0001186200000000 ] - [ -0.0008559600000000, -0.0003611700000000, 0.0005618200000000 ] - [ 0.0008997900000000, -0.0000167000000000, 0.0002043600000000 ] - [ 0.0010834700000000, -0.0004859200000000, 0.0012841500000000 ] - [ 0.0006798600000000, 0.0000196300000000, 0.0001635900000000 ] - [ 0.0006271100000000, 0.0001714900000000, 0.0001046100000000 ] - [ -0.0004218100000000, 0.0001687900000000, 0.0003868400000000 ] - [ -0.0003471300000000, -0.0000459500000000, 0.0002008200000000 ] - [ 0.0007684200000000, -0.0001389500000000, -0.0002298700000000 ] - [ -0.0046834200000000, 0.0101255900000000, -0.0101007400000000 ] - [ 0.0002333800000000, 0.0000934400000000, -0.0002669600000000 ] - [ -0.0000271400000000, -0.0040070800000000, -0.0014685300000000 ] - [ 0.0001895600000000, -0.0001007600000000, -0.0003693300000000 ] - [ -0.0008663100000000, 0.0011132800000000, 0.0004822500000000 ] - [ -0.0006601300000000, 0.0005639400000000, -0.0002114400000000 ] - [ -0.0004789200000000, -0.0006017400000000, -0.0003881800000000 ] - [ -0.0010479300000000, -0.0001363700000000, -0.0001549400000000 ] - [ 0.0180816100000000, -0.0257042000000000, 0.0283180500000000 ] - [ 0.0010942500000000, 0.0003542900000000, 0.0000537500000000 ] - [ -0.0002466400000000, -0.0038436100000000, -0.0007711700000000 ] - [ 0.0011071800000000, 0.0001354400000000, 0.0000969300000000 ] - [ 0.0040915800000000, 0.0090979100000000, 0.0018595100000000 ] - [ 0.0004137300000000, -0.0004163600000000, -0.0000847200000000 ] - [ -0.0003833200000000, -0.0018399600000000, -0.0001601100000000 ] - [ 0.0003842400000000, -0.0006463600000000, -0.0000653100000000 ] - [ 0.0030544000000000, -0.0013211600000000, 0.0010178400000000 ] - [ -0.0001763600000000, -0.0005990700000000, 0.0000772800000000 ] - [ -0.0010028500000000, -0.0004217200000000, 0.0001399000000000 ] - [ 0.0005254600000000, -0.0004857500000000, -0.0002037600000000 ] - [ -0.0802006500000000, 0.0952716200000000, -0.0599281100000000 ] - [ 0.0002985000000000, 0.0004050500000000, 0.0002558000000000 ] - [ -0.0001076300000000, -0.0013544400000000, -0.0000881900000000 ] - [ 0.0002998600000000, 0.0002908200000000, 0.0002556800000000 ] - [ 0.0008728500000000, 0.0005281900000000, 0.0001542700000000 ] - [ -0.0004424100000000, 0.0003723700000000, -0.0001845100000000 ] - [ -0.0002752400000000, 0.0005240300000000, -0.0001164800000000 ] - [ 0.0002342500000000, 0.0003720800000000, -0.0001883900000000 ] - [ -0.0027592100000000, 0.0011234800000000, 0.0006534900000000 ] - [ 0.0004402900000000, 0.0007980300000000, -0.0001316900000000 ] - [ 0.0011012500000000, -0.0005904100000000, -0.0004114700000000 ] - [ -0.0006683700000000, -0.0000987800000000, 0.0005919900000000 ] - [ 0.0605933500000000, -0.0834918400000000, 0.0548519300000000 ] - [ -0.0005320500000000, 0.0001994400000000, 0.0000915300000000 ] - [ 0.0006294900000000, 0.0061285900000000, 0.0016047500000000 ] - [ -0.0005197400000000, 0.0005486800000000, 0.0001606100000000 ] - [ -0.0002861700000000, -0.0009035000000000, 0.0013081900000000 ] - [ -0.0004860300000000, -0.0012481600000000, 0.0000277900000000 ] - [ -0.0003372400000000, 0.0007849800000000, 0.0007504100000000 ] - [ -0.0002258500000000, 0.0010904400000000, 0.0004225200000000 ] - [ 0.0019668200000000, 0.0025566200000000, -0.0018366300000000 ] - [ -0.0002654300000000, -0.0001316800000000, -0.0006575800000000 ] - [ -0.0004772600000000, 0.0031002200000000, -0.0020896300000000 ] - [ -0.0000643300000000, -0.0001592300000000, -0.0006237200000000 ] - [ -0.0012013500000000, 0.0053230200000000, -0.0062539400000000 ] - [ -0.0001086700000000, -0.0005293200000000, 0.0003163800000000 ] - [ 0.0016598500000000, 0.0001675100000000, 0.0016852000000000 ] - [ -0.0003882300000000, -0.0006036700000000, 0.0002211500000000 ] - [ -0.0014637300000000, -0.0007555900000000, -0.0004324000000000 ] - [ -0.0002847100000000, -0.0012538600000000, -0.0001146200000000 ] - [ 0.0001262400000000, 0.0000862700000000, 0.0000508300000000 ] - [ -0.0002881200000000, 0.0001617900000000, -0.0001809900000000 ] - [ -0.0001982900000000, 0.0000375200000000, -0.0004340600000000 ] - [ 0.0010863500000000, -0.0001429300000000, -0.0001380800000000 ] - [ 0.0002566700000000, -0.0000479700000000, -0.0001748300000000 ] - [ -0.0007445400000000, 0.0000460200000000, -0.0003620300000000 ] - [ -0.0006874100000000, -0.0060038700000000, -0.0144228000000000 ] - [ -0.0004189700000000, -0.0001032400000000, 0.0000628800000000 ] - [ 0.0001369900000000, 0.0019811700000000, 0.0000951200000000 ] - [ -0.0003620700000000, 0.0000698000000000, 0.0000563000000000 ] - [ -0.0011975700000000, 0.0008283000000000, 0.0007897700000000 ] - [ -0.0001302000000000, 0.0000668600000000, -0.0000173800000000 ] - [ 0.0024131000000000, 0.0010166700000000, -0.0005332500000000 ] - [ -0.0004028200000000, 0.0000536900000000, -0.0000797500000000 ] - [ 0.0003104000000000, -0.0009642500000000, -0.0002475600000000 ] - [ -0.0000503300000000, -0.0000714100000000, 0.0000266300000000 ] - [ 0.0001831600000000, 0.0007970000000000, -0.0001698200000000 ] - [ -0.0000432900000000, 0.0002020600000000, 0.0000295400000000 ] - [ 0.0002192100000000, -0.0013667200000000, -0.0005458900000000 ] - [ -0.0001305100000000, -0.0001850300000000, -0.0005258500000000 ] - [ 0.0003158900000000, 0.0007890900000000, -0.0005565400000000 ] - [ -0.0001141000000000, 0.0000616000000000, -0.0005211100000000 ] - [ -0.0003164600000000, -0.0000253500000000, 0.0005653300000000 ] - [ 0.0024060000000000, 0.0014741200000000, 0.0011600800000000 ] - [ -0.0001243200000000, -0.0001010300000000, 0.0005131000000000 ] - [ -0.0001178200000000, -0.0014775100000000, 0.0004404200000000 ]- atom: 57 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0007164600000000, -0.0000229500000000, -0.0008828200000000 ] - [ 0.0017232500000000, -0.0002651300000000, -0.0024556000000000 ] - [ 0.0002290600000000, -0.0001887500000000, -0.0003490400000000 ] - [ -0.0000081500000000, -0.0002782600000000, -0.0004007800000000 ] - [ -0.0001024000000000, 0.0000671800000000, 0.0057406100000000 ] - [ 0.0003471500000000, -0.0001633400000000, -0.0000540200000000 ] - [ -0.0002423700000000, -0.0012077800000000, 0.0064275600000000 ] - [ 0.0003467600000000, -0.0001830000000000, -0.0000527400000000 ] - [ 0.0002854100000000, 0.0005964000000000, 0.0006056700000000 ] - [ 0.0025823600000000, -0.0011153400000000, 0.0006829200000000 ] - [ 0.0004192800000000, 0.0001693200000000, 0.0006279300000000 ] - [ 0.0004909400000000, 0.0006043700000000, 0.0005488600000000 ] - [ -0.0009116000000000, 0.0104357000000000, 0.0087930700000000 ] - [ 0.0001634900000000, 0.0004712200000000, -0.0005387100000000 ] - [ -0.0007128500000000, -0.0020872300000000, -0.0005002300000000 ] - [ 0.0001028000000000, 0.0004042600000000, -0.0005369900000000 ] - [ 0.0009530100000000, 0.0000204200000000, -0.0002203400000000 ] - [ 0.0030831600000000, 0.0016055800000000, -0.0004648100000000 ] - [ 0.0006890400000000, -0.0000194000000000, -0.0000402000000000 ] - [ 0.0009753700000000, -0.0003399600000000, -0.0002887600000000 ] - [ -0.0010987600000000, 0.0023693600000000, 0.0006161700000000 ] - [ -0.0003716900000000, -0.0000040500000000, 0.0001406400000000 ] - [ -0.0019577100000000, -0.0100260600000000, 0.0122330000000000 ] - [ -0.0003014100000000, -0.0000500700000000, 0.0001372100000000 ] - [ 0.0000985100000000, -0.0000101500000000, -0.0004619400000000 ] - [ 0.0113897800000000, 0.0007697600000000, 0.0053886900000000 ] - [ -0.0001173900000000, -0.0000548900000000, -0.0002822600000000 ] - [ -0.0004658800000000, -0.0001692300000000, -0.0004376000000000 ] - [ 0.0009796800000000, 0.0013731400000000, 0.0013103500000000 ] - [ 0.0012271500000000, -0.0000054200000000, 0.0001373100000000 ] - [ 0.0012793500000000, -0.0020595800000000, 0.0017924600000000 ] - [ 0.0012004500000000, 0.0000227700000000, 0.0001431000000000 ] - [ 0.0006210300000000, -0.0005507600000000, 0.0005532500000000 ] - [ -0.0000150900000000, 0.0001754300000000, 0.0001454800000000 ] - [ 0.0003148200000000, 0.0003982400000000, -0.0003029600000000 ] - [ 0.0001798400000000, -0.0000234900000000, 0.0002157400000000 ] - [ 0.0247408500000000, 0.0039310200000000, 0.0398595700000000 ] - [ 0.0004451800000000, -0.0000290700000000, -0.0003617300000000 ] - [ -0.0003499300000000, -0.0013745800000000, -0.0004427400000000 ] - [ 0.0003542400000000, -0.0000092100000000, -0.0003381900000000 ] - [ -0.0002076800000000, 0.0005273000000000, -0.0000082800000000 ] - [ -0.0011434600000000, 0.0002992600000000, -0.0002635100000000 ] - [ -0.0005802600000000, -0.0003360100000000, -0.0001241500000000 ] - [ -0.0009063700000000, 0.0003191800000000, -0.0000961300000000 ] - [ 0.0116653000000000, -0.0213902400000000, 0.0066004100000000 ] - [ 0.0013233100000000, 0.0003232900000000, 0.0000384300000000 ] - [ 0.0004861100000000, 0.0021080600000000, -0.0012045000000000 ] - [ 0.0012671900000000, 0.0002291200000000, 0.0000694100000000 ] - [ 0.0036176900000000, -0.0019447500000000, -0.0090767300000000 ] - [ 0.0009719500000000, -0.0004810700000000, -0.0002885000000000 ] - [ 0.0000717000000000, -0.0005176500000000, -0.0005944300000000 ] - [ 0.0006153600000000, -0.0005199900000000, -0.0001552900000000 ] - [ 0.0016202300000000, -0.0012422900000000, 0.0010517000000000 ] - [ 0.0003075900000000, -0.0004789900000000, 0.0000389100000000 ] - [ 0.0023067800000000, 0.0008963100000000, 0.0007767100000000 ] - [ 0.0003668500000000, -0.0005308400000000, 0.0000555000000000 ] - [ -0.1554180900000000, 0.0615018800000000, -0.2864289700000000 ] - [ 0.0006423300000000, 0.0002999600000000, 0.0003612600000000 ] - [ -0.0009233300000000, 0.0006421000000000, -0.0014863700000000 ] - [ 0.0005071100000000, 0.0003029100000000, 0.0003329700000000 ] - [ 0.0007095400000000, 0.0004441700000000, 0.0003078200000000 ] - [ -0.0000760100000000, 0.0003692700000000, 0.0004173900000000 ] - [ 0.0009168100000000, 0.0007069500000000, 0.0003103000000000 ] - [ 0.0000616000000000, 0.0003774300000000, 0.0004185700000000 ] - [ -0.0018312600000000, 0.0011123900000000, -0.0002798300000000 ] - [ -0.0002428200000000, 0.0001904500000000, -0.0000730000000000 ] - [ -0.0023961600000000, -0.0005034500000000, 0.0005856900000000 ] - [ -0.0003183000000000, 0.0000500700000000, -0.0001646700000000 ] - [ 0.1117527100000000, -0.0539114200000000, 0.1643992400000000 ] - [ -0.0012080800000000, 0.0003387600000000, 0.0002091500000000 ] - [ 0.0005421100000000, -0.0002693500000000, 0.0023652400000000 ] - [ -0.0009131500000000, 0.0004159400000000, 0.0001389400000000 ] - [ -0.0007019100000000, -0.0001973200000000, 0.0017729700000000 ] - [ -0.0097234500000000, 0.0005950100000000, 0.0053332500000000 ] - [ -0.0005692900000000, 0.0001519600000000, 0.0010232600000000 ] - [ -0.0001348200000000, 0.0000867900000000, 0.0012287700000000 ] - [ -0.0038364600000000, -0.0069346800000000, -0.0073482400000000 ] - [ -0.0007299600000000, -0.0002152100000000, -0.0006362600000000 ] - [ -0.0036519800000000, 0.0103270300000000, -0.0064989900000000 ] - [ -0.0007138000000000, -0.0001028000000000, -0.0006357700000000 ] - [ 0.0003223600000000, 0.0037585900000000, -0.0061286800000000 ] - [ -0.0004868300000000, -0.0005917100000000, 0.0002976200000000 ] - [ -0.0001649000000000, -0.0112771800000000, -0.0036871700000000 ] - [ -0.0005148000000000, -0.0005226700000000, 0.0002857500000000 ] - [ -0.0027367800000000, -0.0005794300000000, -0.0005536200000000 ] - [ -0.0006005000000000, -0.0007733700000000, 0.0007752100000000 ] - [ -0.0001367800000000, -0.0006052900000000, 0.0001868000000000 ] - [ -0.0002785600000000, -0.0004670700000000, -0.0001640600000000 ] - [ -0.0002602100000000, 0.0001524000000000, -0.0004745100000000 ] - [ -0.0002753100000000, -0.0011817700000000, -0.0010471000000000 ] - [ -0.0001624900000000, -0.0001021500000000, -0.0006079300000000 ] - [ -0.0005930100000000, 0.0010819700000000, -0.0009638800000000 ] - [ 0.0012623000000000, 0.0130053700000000, 0.0623039500000000 ] - [ -0.0008099600000000, -0.0000286800000000, 0.0000214800000000 ] - [ -0.0000004400000000, 0.0003835900000000, 0.0014920400000000 ] - [ -0.0006433900000000, -0.0000092100000000, 0.0000343400000000 ] - [ 0.0004726300000000, 0.0000381100000000, 0.0014883000000000 ] - [ -0.0005202700000000, -0.0001006800000000, 0.0000745600000000 ] - [ 0.0015463700000000, 0.0006690300000000, 0.0013126900000000 ] - [ -0.0005748400000000, 0.0002288500000000, 0.0000688100000000 ] - [ 0.0002947300000000, 0.0001887100000000, -0.0027053200000000 ] - [ -0.0004256000000000, 0.0000340000000000, -0.0002309900000000 ] - [ 0.0005393000000000, 0.0000934900000000, -0.0005901100000000 ] - [ -0.0002127200000000, 0.0000829200000000, -0.0000333600000000 ] - [ 0.0025605000000000, 0.0002669400000000, -0.0040157400000000 ] - [ -0.0004335100000000, -0.0000569900000000, -0.0005655100000000 ] - [ 0.0004874800000000, 0.0000249600000000, -0.0009787200000000 ] - [ -0.0003316900000000, -0.0000658800000000, -0.0005399500000000 ] - [ -0.0004906600000000, 0.0000023400000000, 0.0005879300000000 ] - [ 0.0008275500000000, -0.0005281300000000, 0.0022524300000000 ] - [ -0.0004415200000000, -0.0001249100000000, 0.0005892900000000 ] - [ -0.0000272400000000, 0.0007878300000000, 0.0023560300000000 ]- atom: 57 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0007188500000000, -0.0002820000000000, 0.0008671100000000 ] - [ -0.0017083800000000, -0.0000396900000000, 0.0024341500000000 ] - [ -0.0002146600000000, -0.0001146100000000, 0.0003146100000000 ] - [ 0.0000211100000000, -0.0000248900000000, 0.0003683700000000 ] - [ 0.0000850300000000, -0.0003729800000000, -0.0057311500000000 ] - [ -0.0003651300000000, -0.0001395100000000, 0.0000896200000000 ] - [ 0.0002162700000000, 0.0009211300000000, -0.0064019400000000 ] - [ -0.0003610200000000, -0.0001212800000000, 0.0000842100000000 ] - [ 0.0002799800000000, 0.0001455300000000, 0.0006024800000000 ] - [ -0.0020313100000000, 0.0018684500000000, 0.0005195800000000 ] - [ 0.0001414400000000, 0.0005796200000000, 0.0005711700000000 ] - [ 0.0000678700000000, 0.0001409600000000, 0.0006514700000000 ] - [ 0.0003789900000000, -0.0097786900000000, -0.0100945700000000 ] - [ -0.0007354300000000, 0.0002833800000000, -0.0006561600000000 ] - [ 0.0001548800000000, 0.0028501900000000, -0.0006883700000000 ] - [ -0.0006661700000000, 0.0003439600000000, -0.0006605500000000 ] - [ 0.0005517000000000, 0.0001047400000000, -0.0000003600000000 ] - [ -0.0015916800000000, -0.0014928300000000, 0.0002418600000000 ] - [ 0.0008132300000000, 0.0001405800000000, -0.0001862300000000 ] - [ 0.0005253600000000, 0.0004656400000000, 0.0000634700000000 ] - [ -0.0004042700000000, -0.0022611900000000, -0.0003873100000000 ] - [ -0.0011334900000000, 0.0001271300000000, 0.0000874100000000 ] - [ 0.0004991600000000, 0.0102382600000000, -0.0121358300000000 ] - [ -0.0012093700000000, 0.0001655700000000, 0.0000964900000000 ] - [ -0.0011469300000000, 0.0000062500000000, 0.0000500900000000 ] - [ -0.0125466900000000, -0.0007921600000000, -0.0058915700000000 ] - [ -0.0009373800000000, 0.0000486000000000, -0.0001374100000000 ] - [ -0.0005917000000000, 0.0001650800000000, 0.0000214900000000 ] - [ 0.0000720300000000, -0.0013826600000000, -0.0008957300000000 ] - [ -0.0001774000000000, -0.0000004400000000, 0.0002845800000000 ] - [ -0.0002366800000000, 0.0020623700000000, -0.0013769500000000 ] - [ -0.0001537700000000, -0.0000308200000000, 0.0002809500000000 ] - [ -0.0007683800000000, 0.0005696400000000, 0.0000243600000000 ] - [ -0.0001216400000000, -0.0001853000000000, 0.0004474900000000 ] - [ -0.0004472200000000, -0.0004115500000000, 0.0008949500000000 ] - [ -0.0003176000000000, 0.0000176300000000, 0.0003736700000000 ] - [ -0.0240485500000000, -0.0037981900000000, -0.0395343900000000 ] - [ -0.0003110300000000, 0.0000231400000000, -0.0002331700000000 ] - [ 0.0004878000000000, 0.0013676600000000, -0.0001530500000000 ] - [ -0.0002205700000000, 0.0000000700000000, -0.0002551100000000 ] - [ -0.0017073800000000, -0.0000984400000000, -0.0001683200000000 ] - [ -0.0007681700000000, 0.0001502200000000, 0.0001065000000000 ] - [ -0.0013284500000000, 0.0007949900000000, -0.0000330400000000 ] - [ -0.0010054400000000, 0.0001300000000000, -0.0000611300000000 ] - [ -0.0096630900000000, 0.0216899400000000, -0.0065534400000000 ] - [ 0.0005834700000000, 0.0001262300000000, 0.0001146200000000 ] - [ 0.0014242100000000, -0.0016518200000000, 0.0013499000000000 ] - [ 0.0006412000000000, 0.0002210400000000, 0.0000864200000000 ] - [ -0.0037587300000000, 0.0009193900000000, 0.0088692400000000 ] - [ -0.0008232800000000, -0.0005971900000000, 0.0002259900000000 ] - [ 0.0000835600000000, -0.0005600600000000, 0.0005332600000000 ] - [ -0.0004624800000000, -0.0005581500000000, 0.0000935000000000 ] - [ -0.0017744300000000, 0.0001675800000000, -0.0009969500000000 ] - [ -0.0004621000000000, -0.0005993800000000, 0.0000240000000000 ] - [ -0.0024247800000000, -0.0019668100000000, -0.0007172100000000 ] - [ -0.0005281500000000, -0.0005477100000000, 0.0000063500000000 ] - [ 0.1493575100000000, -0.0563734300000000, 0.2872348500000000 ] - [ -0.0004556800000000, 0.0004678800000000, -0.0000264800000000 ] - [ 0.0011180200000000, 0.0001281000000000, 0.0018381800000000 ] - [ -0.0003184600000000, 0.0004678300000000, 0.0000147200000000 ] - [ -0.0009030600000000, 0.0003272900000000, -0.0006632000000000 ] - [ -0.0001201600000000, 0.0003981400000000, -0.0007690800000000 ] - [ -0.0011033500000000, 0.0000587800000000, -0.0006621600000000 ] - [ -0.0002574800000000, 0.0003930300000000, -0.0007707100000000 ] - [ 0.0020636200000000, -0.0003925600000000, 0.0001020900000000 ] - [ 0.0004799600000000, 0.0005439500000000, -0.0001239800000000 ] - [ 0.0025997000000000, 0.0012608900000000, -0.0007706800000000 ] - [ 0.0005562900000000, 0.0006830600000000, -0.0000333500000000 ] - [ -0.1056901600000000, 0.0513573800000000, -0.1600581900000000 ] - [ 0.0009843600000000, 0.0003943100000000, -0.0000076200000000 ] - [ -0.0007813100000000, 0.0010014200000000, -0.0021705300000000 ] - [ 0.0006856100000000, 0.0003175300000000, 0.0000623000000000 ] - [ 0.0003455600000000, -0.0000634200000000, -0.0004541300000000 ] - [ 0.0094019600000000, -0.0008552400000000, -0.0040090800000000 ] - [ 0.0002182700000000, -0.0004157400000000, 0.0003215200000000 ] - [ -0.0002152900000000, -0.0003507900000000, 0.0001119300000000 ] - [ 0.0042051700000000, 0.0066855700000000, 0.0060140300000000 ] - [ 0.0010880500000000, -0.0000493500000000, -0.0007126000000000 ] - [ 0.0040187000000000, -0.0106222500000000, 0.0051441700000000 ] - [ 0.0010726100000000, -0.0001595600000000, -0.0007120000000000 ] - [ -0.0003514900000000, -0.0049208800000000, 0.0066507900000000 ] - [ 0.0004612700000000, -0.0005469300000000, 0.0002026600000000 ] - [ 0.0001321300000000, 0.0100834200000000, 0.0042059800000000 ] - [ 0.0004892800000000, -0.0006151000000000, 0.0002148400000000 ] - [ 0.0028367100000000, -0.0005641600000000, 0.0000767900000000 ] - [ 0.0006301600000000, -0.0003672800000000, -0.0012772000000000 ] - [ 0.0001635900000000, -0.0005386600000000, -0.0006886200000000 ] - [ 0.0003089400000000, -0.0006753200000000, -0.0003363100000000 ] - [ 0.0006264900000000, -0.0001832700000000, 0.0002833000000000 ] - [ 0.0006436500000000, 0.0011572400000000, 0.0008560700000000 ] - [ 0.0005283300000000, 0.0000749700000000, 0.0004146700000000 ] - [ 0.0009675800000000, -0.0011151600000000, 0.0007726900000000 ] - [ -0.0020452400000000, -0.0140516800000000, -0.0670104000000000 ] - [ 0.0004492900000000, 0.0000024100000000, 0.0001703800000000 ] - [ -0.0003642400000000, -0.0004152800000000, -0.0013066400000000 ] - [ 0.0002805700000000, -0.0000185300000000, 0.0001575500000000 ] - [ -0.0006573300000000, 0.0000830200000000, -0.0015614000000000 ] - [ 0.0003425900000000, 0.0002289300000000, -0.0001388700000000 ] - [ -0.0017261200000000, -0.0005290100000000, -0.0013913900000000 ] - [ 0.0003974500000000, -0.0001008700000000, -0.0001330500000000 ] - [ -0.0001296000000000, -0.0000533200000000, 0.0027701500000000 ] - [ 0.0006079500000000, 0.0000950800000000, 0.0002950800000000 ] - [ -0.0003639200000000, 0.0000316000000000, 0.0006545100000000 ] - [ 0.0003941700000000, 0.0000453000000000, 0.0000969700000000 ] - [ -0.0024331200000000, -0.0003885400000000, 0.0030115600000000 ] - [ 0.0005505200000000, -0.0000689600000000, -0.0004377600000000 ] - [ -0.0003724400000000, -0.0001533600000000, -0.0000233500000000 ] - [ 0.0004478400000000, -0.0000607300000000, -0.0004639900000000 ] - [ 0.0003796400000000, -0.0001302400000000, 0.0004145400000000 ] - [ -0.0009490400000000, 0.0003953500000000, -0.0012574400000000 ] - [ 0.0003293000000000, 0.0000005400000000, 0.0004147100000000 ] - [ -0.0000808500000000, -0.0009300000000000, -0.0013662200000000 ]- atom: 65 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ 0.0012640200000000, -0.0013674900000000, -0.0021323400000000 ] - [ -0.0014337200000000, -0.0000849600000000, 0.0007733000000000 ] - [ 0.0008842900000000, 0.0013792000000000, 0.0006376100000000 ] - [ -0.0014488000000000, -0.0003382600000000, 0.0007456900000000 ] - [ -0.0057964500000000, 0.0001580900000000, 0.0059819000000000 ] - [ -0.0038932200000000, -0.0000106600000000, -0.0005768100000000 ] - [ -0.0003574600000000, -0.0002075400000000, 0.0002820600000000 ] - [ -0.0009076600000000, 0.0000001100000000, -0.0002678700000000 ] - [ 0.0031578900000000, -0.0013651500000000, 0.0014785500000000 ] - [ -0.0013344300000000, 0.0008073700000000, 0.0003586200000000 ] - [ 0.0046390800000000, 0.0056949200000000, -0.0035974900000000 ] - [ -0.0014836300000000, 0.0004756900000000, 0.0005206200000000 ] - [ -0.0009924900000000, 0.0017491700000000, 0.0019683700000000 ] - [ -0.0027341400000000, -0.0011079600000000, -0.0016282800000000 ] - [ -0.0005080300000000, -0.0002651800000000, -0.0003141500000000 ] - [ -0.0010768600000000, 0.0006567500000000, -0.0007654600000000 ] - [ 0.0047732200000000, -0.0052552900000000, -0.0059304500000000 ] - [ -0.0010304800000000, -0.0001255300000000, -0.0000353900000000 ] - [ 0.0032126200000000, 0.0023896100000000, 0.0006701100000000 ] - [ -0.0008651600000000, -0.0004930300000000, -0.0001563000000000 ] - [ -0.0020860200000000, -0.0017569600000000, 0.0030203400000000 ] - [ -0.0032539500000000, 0.0017547600000000, -0.0005460400000000 ] - [ -0.0013435700000000, 0.0009835000000000, 0.0003994600000000 ] - [ -0.0016024000000000, -0.0003017000000000, -0.0000399100000000 ] - [ 0.0008744700000000, -0.0016904100000000, -0.0021007200000000 ] - [ -0.0033146100000000, 0.0004025200000000, 0.0003299700000000 ] - [ 0.0006952800000000, 0.0010868000000000, -0.0010567000000000 ] - [ -0.0033030500000000, -0.0002901800000000, 0.0003355700000000 ] - [ -0.0036044100000000, -0.0002663700000000, 0.0023842700000000 ] - [ -0.0057169700000000, 0.0001866800000000, -0.0022590500000000 ] - [ -0.0013334500000000, 0.0000581800000000, 0.0003846800000000 ] - [ 0.0004555700000000, -0.0001494500000000, 0.0002021400000000 ] - [ 0.0583745200000000, 0.0097531500000000, -0.0186262500000000 ] - [ -0.0017160900000000, 0.0001180600000000, 0.0003060700000000 ] - [ 0.0018764500000000, 0.0019307800000000, -0.0000126600000000 ] - [ -0.0013402100000000, 0.0000862600000000, 0.0003046000000000 ] - [ 0.0005010500000000, 0.0033131100000000, -0.0004707900000000 ] - [ -0.0014993300000000, -0.0004745700000000, 0.0001129500000000 ] - [ -0.0037195500000000, -0.0102736800000000, -0.0076043500000000 ] - [ -0.0016830600000000, 0.0007264100000000, 0.0005221600000000 ] - [ 0.0023581300000000, -0.0009635900000000, -0.0002169700000000 ] - [ -0.0023531300000000, 0.0003137800000000, -0.0001994600000000 ] - [ 0.0648797700000000, -0.0424529000000000, -0.0054958300000000 ] - [ -0.0025776300000000, 0.0002811600000000, -0.0001995400000000 ] - [ -0.0026463800000000, 0.0093452400000000, -0.0069044200000000 ] - [ -0.0008997300000000, -0.0008003800000000, 0.0006432700000000 ] - [ 0.0018249800000000, -0.0027752800000000, -0.0014616800000000 ] - [ -0.0000278300000000, 0.0005878600000000, 0.0002477300000000 ] - [ 0.0072750400000000, 0.0006764200000000, -0.0014676800000000 ] - [ -0.0028720200000000, -0.0008979300000000, 0.0005143800000000 ] - [ 0.0077394700000000, -0.0016917200000000, -0.0012687600000000 ] - [ -0.0027595500000000, -0.0004503300000000, 0.0004628100000000 ] - [ 0.2593075100000000, -0.0226672400000000, -0.0850498900000000 ] - [ -0.0039646600000000, -0.0003980100000000, 0.0004887700000000 ] - [ 0.0051786900000000, -0.0007202500000000, -0.0015603700000000 ] - [ -0.0029206300000000, -0.0004467000000000, 0.0003420900000000 ] - [ -0.0001339600000000, 0.0032611600000000, -0.0018119100000000 ] - [ -0.0011371300000000, 0.0000718700000000, -0.0002303100000000 ] - [ 0.0001696000000000, -0.0005861000000000, -0.0023593800000000 ] - [ -0.0014841100000000, 0.0011864200000000, -0.0003075900000000 ] - [ 0.1713604700000000, 0.0623442500000000, 0.1125485000000000 ] - [ -0.0026870100000000, -0.0000237800000000, -0.0012446500000000 ] - [ 0.0026553100000000, 0.0011500400000000, 0.0005419400000000 ] - [ -0.0019103200000000, -0.0000115400000000, -0.0009430100000000 ] - [ -0.5825902400000000, -0.0042282500000000, -0.0089712000000000 ] - [ 0.0050015900000000, 0.0005615500000000, -0.0000596500000000 ] - [ -0.0072717800000000, 0.0000329300000000, 0.0022973600000000 ] - [ 0.0038350700000000, 0.0004025500000000, -0.0001192400000000 ] - [ -0.0050960700000000, -0.0115775200000000, 0.0054395800000000 ] - [ 0.0035034100000000, 0.0016666400000000, -0.0009319900000000 ] - [ -0.0050948500000000, 0.0068227700000000, 0.0121313300000000 ] - [ 0.0035046000000000, -0.0007714400000000, -0.0009303700000000 ] - [ -0.0023383400000000, 0.0062427200000000, 0.0025804700000000 ] - [ 0.0034907000000000, -0.0005768400000000, -0.0000542600000000 ] - [ -0.0019290700000000, -0.0046472600000000, 0.0010439200000000 ] - [ 0.0034610000000000, 0.0000029300000000, -0.0000660700000000 ] - [ 0.0045239300000000, 0.0005566900000000, -0.0101052000000000 ] - [ 0.0080679100000000, -0.0001749700000000, 0.0007563200000000 ] - [ 0.0020065000000000, -0.0003882100000000, -0.0011532600000000 ] - [ 0.0009226400000000, 0.0000755700000000, 0.0001573300000000 ] - [ 0.0364928500000000, 0.0017659000000000, 0.0066199100000000 ] - [ 0.0039090000000000, -0.0009603000000000, -0.0007116000000000 ] - [ -0.0021451600000000, -0.0013666100000000, -0.0007053800000000 ] - [ 0.0021092600000000, -0.0002627800000000, 0.0002707200000000 ] - [ -0.0064251800000000, 0.0003304000000000, 0.0003460600000000 ] - [ 0.0025506000000000, -0.0006009300000000, -0.0003219700000000 ] - [ -0.0060718600000000, -0.0031020300000000, -0.0046968700000000 ] - [ 0.0024766300000000, -0.0004782200000000, -0.0003325200000000 ] - [ -0.0010982900000000, -0.0020536900000000, 0.0254213300000000 ] - [ 0.0033944400000000, -0.0000939400000000, 0.0002400600000000 ] - [ -0.0014889400000000, -0.0000210000000000, -0.0003188600000000 ] - [ 0.0020199400000000, -0.0000116100000000, 0.0002383500000000 ] - [ 0.0014081300000000, -0.0014185100000000, 0.0003997600000000 ] - [ 0.0007819300000000, 0.0012163100000000, 0.0006895500000000 ] - [ 0.0013302800000000, 0.0016848800000000, -0.0000906700000000 ] - [ 0.0006934000000000, -0.0013111300000000, 0.0006858200000000 ] - [ -0.0035265000000000, 0.0000518800000000, 0.0017380600000000 ] - [ 0.0017060800000000, 0.0000241400000000, 0.0000543200000000 ] - [ -0.0022760100000000, -0.0000807800000000, -0.0000590100000000 ] - [ 0.0012999200000000, 0.0000954800000000, -0.0000658500000000 ] - [ -0.0038244400000000, -0.0058986600000000, -0.0036733900000000 ] - [ 0.0018492100000000, 0.0002725800000000, 0.0000927800000000 ] - [ -0.0029598200000000, 0.0066656000000000, -0.0032389000000000 ] - [ 0.0017629800000000, -0.0001336300000000, 0.0000811800000000 ] - [ 0.0019476700000000, -0.0009060400000000, -0.0006194200000000 ] - [ 0.0031315400000000, 0.0050753600000000, -0.0004084100000000 ] - [ 0.0021304500000000, 0.0007644700000000, -0.0007493800000000 ] - [ 0.0035181900000000, -0.0056123600000000, 0.0005775800000000 ] - [ 0.0027503300000000, 0.0002932900000000, -0.0039184700000000 ] - [ 0.0020244800000000, 0.0000663100000000, 0.0007849900000000 ] - [ -0.0003442900000000, -0.0001239500000000, 0.0004827300000000 ] - [ 0.0011720500000000, -0.0000895300000000, 0.0005063500000000 ]- atom: 65 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ -0.0012296400000000, 0.0010856100000000, 0.0022056000000000 ] - [ 0.0014454500000000, -0.0002138800000000, -0.0006876200000000 ] - [ -0.0008509200000000, -0.0016800700000000, -0.0005738800000000 ] - [ 0.0014611800000000, 0.0000407900000000, -0.0006604500000000 ] - [ 0.0057552700000000, -0.0004546000000000, -0.0060700800000000 ] - [ 0.0038538800000000, -0.0002862600000000, 0.0004695000000000 ] - [ 0.0003403200000000, -0.0000894100000000, -0.0003672800000000 ] - [ 0.0008937300000000, -0.0002943400000000, 0.0001791900000000 ] - [ -0.0025797700000000, 0.0021784300000000, -0.0003195000000000 ] - [ 0.0019017900000000, 0.0000031100000000, 0.0007995600000000 ] - [ -0.0040656500000000, -0.0048975100000000, 0.0047653200000000 ] - [ 0.0020517700000000, 0.0003339300000000, 0.0006381700000000 ] - [ 0.0004113700000000, -0.0009406400000000, -0.0031262700000000 ] - [ 0.0021646600000000, 0.0019103700000000, 0.0004606500000000 ] - [ -0.0000659600000000, 0.0010745000000000, -0.0008430600000000 ] - [ 0.0005083300000000, 0.0001542800000000, -0.0003936200000000 ] - [ -0.0032573000000000, 0.0053400800000000, 0.0057123400000000 ] - [ 0.0025469200000000, 0.0001812100000000, -0.0002230600000000 ] - [ -0.0016891200000000, -0.0023317600000000, -0.0009295800000000 ] - [ 0.0023829000000000, 0.0005522400000000, -0.0001017400000000 ] - [ 0.0005591900000000, 0.0018128400000000, -0.0027622000000000 ] - [ 0.0017371500000000, -0.0016890100000000, 0.0007951700000000 ] - [ -0.0001830200000000, -0.0009197600000000, -0.0001405200000000 ] - [ 0.0000827600000000, 0.0003623500000000, 0.0002968000000000 ] - [ -0.0018100800000000, 0.0016815300000000, 0.0016565000000000 ] - [ 0.0023506800000000, -0.0004135500000000, -0.0007699000000000 ] - [ -0.0016358100000000, -0.0010988900000000, 0.0006060300000000 ] - [ 0.0023396400000000, 0.0002794200000000, -0.0007756100000000 ] - [ 0.0045519400000000, 0.0002544600000000, -0.0019417300000000 ] - [ 0.0067083200000000, -0.0002043700000000, 0.0027054700000000 ] - [ 0.0022824000000000, -0.0000696000000000, 0.0000583100000000 ] - [ 0.0005117600000000, 0.0001395200000000, 0.0002374200000000 ] - [ -0.0589130000000000, -0.0105211700000000, 0.0205566900000000 ] - [ 0.0015958700000000, -0.0000789100000000, 0.0002507600000000 ] - [ -0.0019912600000000, -0.0019155000000000, 0.0005656600000000 ] - [ 0.0012207800000000, -0.0000459100000000, 0.0002512300000000 ] - [ -0.0003910300000000, -0.0032813600000000, -0.0000882600000000 ] - [ 0.0016167300000000, 0.0005114100000000, -0.0006692600000000 ] - [ 0.0038440200000000, 0.0103368400000000, 0.0070819300000000 ] - [ 0.0017944800000000, -0.0006810100000000, -0.0010721800000000 ] - [ -0.0042359800000000, 0.0013721400000000, 0.0000414900000000 ] - [ 0.0004662200000000, 0.0000706100000000, 0.0000153600000000 ] - [ -0.0674159600000000, 0.0436593400000000, 0.0055866000000000 ] - [ 0.0006900300000000, 0.0001043100000000, 0.0000159700000000 ] - [ 0.0045262000000000, -0.0089945000000000, 0.0070915400000000 ] - [ 0.0027768900000000, 0.0011751100000000, -0.0004568200000000 ] - [ 0.0000539100000000, 0.0031650100000000, 0.0016476700000000 ] - [ 0.0019135000000000, -0.0001979700000000, -0.0000630300000000 ] - [ -0.0070974800000000, -0.0017498800000000, 0.0014125000000000 ] - [ 0.0030716400000000, -0.0001814200000000, -0.0005632100000000 ] - [ -0.0075613100000000, 0.0006154200000000, 0.0012141800000000 ] - [ 0.0029587900000000, -0.0006244400000000, -0.0005109100000000 ] - [ -0.2757929700000000, 0.0238600600000000, 0.0933713500000000 ] - [ 0.0037537100000000, -0.0006785300000000, -0.0004371900000000 ] - [ -0.0053875100000000, -0.0003545300000000, 0.0016148300000000 ] - [ 0.0027129300000000, -0.0006302600000000, -0.0002917700000000 ] - [ 0.0002693300000000, -0.0024843500000000, 0.0021292600000000 ] - [ 0.0012851300000000, 0.0007051600000000, 0.0005475300000000 ] - [ -0.0000302400000000, 0.0013722600000000, 0.0026818900000000 ] - [ 0.0016280800000000, -0.0003992800000000, 0.0006253300000000 ] - [ -0.1663452300000000, -0.0579972000000000, -0.1060773400000000 ] - [ 0.0025380400000000, 0.0008059100000000, 0.0009283700000000 ] - [ -0.0027871800000000, -0.0003603800000000, -0.0008451700000000 ] - [ 0.0017641500000000, 0.0007951900000000, 0.0006273800000000 ] - [ 0.5952745400000000, -0.0009289600000000, -0.0080610500000000 ] - [ -0.0047765700000000, 0.0001745200000000, -0.0001369600000000 ] - [ 0.0074863300000000, 0.0006973400000000, -0.0025134500000000 ] - [ -0.0036143600000000, 0.0003334200000000, -0.0000770500000000 ] - [ 0.0049105200000000, 0.0123656700000000, -0.0052484300000000 ] - [ -0.0037162800000000, -0.0009145500000000, 0.0011223200000000 ] - [ 0.0048988600000000, -0.0061154500000000, -0.0119874600000000 ] - [ -0.0037152300000000, 0.0014981900000000, 0.0011180800000000 ] - [ 0.0019526100000000, -0.0065216800000000, -0.0012529300000000 ] - [ -0.0038396000000000, 0.0003126000000000, 0.0013807900000000 ] - [ 0.0015548200000000, 0.0043817400000000, 0.0002950700000000 ] - [ -0.0038123500000000, -0.0002694800000000, 0.0013915300000000 ] - [ -0.0041424500000000, -0.0008183000000000, 0.0087786700000000 ] - [ -0.0077121700000000, -0.0000960000000000, -0.0020388800000000 ] - [ -0.0016383100000000, 0.0001167500000000, -0.0001752600000000 ] - [ -0.0005740100000000, -0.0003456500000000, -0.0014757700000000 ] - [ -0.0368371500000000, -0.0028870500000000, -0.0060721900000000 ] - [ -0.0039239900000000, -0.0001781600000000, 0.0012118700000000 ] - [ 0.0021242900000000, 0.0002278300000000, 0.0012148600000000 ] - [ -0.0021380000000000, -0.0008737800000000, 0.0002349900000000 ] - [ 0.0064546800000000, -0.0014782100000000, -0.0008149200000000 ] - [ -0.0025163900000000, -0.0005383100000000, -0.0001839800000000 ] - [ 0.0060989800000000, 0.0019639700000000, 0.0041874500000000 ] - [ -0.0024426000000000, -0.0006631400000000, -0.0001733800000000 ] - [ 0.0014261900000000, 0.0020765800000000, -0.0255290900000000 ] - [ -0.0030176800000000, 0.0000683100000000, -0.0004230300000000 ] - [ 0.0018485800000000, -0.0000085800000000, 0.0001327700000000 ] - [ -0.0016441200000000, -0.0000146400000000, -0.0004217800000000 ] - [ -0.0017718000000000, 0.0013927900000000, -0.0002201000000000 ] - [ -0.0011645400000000, -0.0012359600000000, -0.0005069500000000 ] - [ -0.0016947600000000, -0.0017083500000000, 0.0002709700000000 ] - [ -0.0010715800000000, 0.0012821600000000, -0.0005027200000000 ] - [ 0.0033568500000000, 0.0000758500000000, -0.0018147600000000 ] - [ -0.0018820200000000, 0.0001037900000000, -0.0001152500000000 ] - [ 0.0021018000000000, 0.0002075700000000, -0.0000015200000000 ] - [ -0.0014773300000000, 0.0000326000000000, 0.0000051800000000 ] - [ 0.0040164300000000, 0.0060296800000000, 0.0037400200000000 ] - [ -0.0016683700000000, -0.0001424100000000, -0.0000319600000000 ] - [ 0.0031492500000000, -0.0065493500000000, 0.0033153700000000 ] - [ -0.0015817700000000, 0.0002606600000000, -0.0000202100000000 ] - [ -0.0018298300000000, 0.0007819500000000, -0.0003827100000000 ] - [ -0.0030181400000000, -0.0051688900000000, -0.0005829200000000 ] - [ -0.0020150700000000, -0.0008898700000000, -0.0002519500000000 ] - [ -0.0033816700000000, 0.0054362300000000, -0.0015583800000000 ] - [ -0.0028399300000000, -0.0004187700000000, 0.0048598700000000 ] - [ -0.0021390600000000, -0.0001909600000000, 0.0002156000000000 ] - [ 0.0002217400000000, -0.0000015800000000, 0.0005209200000000 ] - [ -0.0012847700000000, -0.0000352600000000, 0.0004963700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012806200000000, -0.0030855700000000, 0.0028354700000000 ] - [ 0.0000772000000000, -0.0002526800000000, 0.0000665000000000 ] - [ 0.0030828500000000, -0.0005104600000000, -0.0134763300000000 ] - [ -0.0001733900000000, -0.0000519300000000, 0.0000338400000000 ] - [ 0.0008864900000000, 0.0003234500000000, -0.0006889500000000 ] - [ -0.0016776200000000, 0.0009557800000000, 0.0002476000000000 ] - [ -0.0003644400000000, -0.0010577700000000, 0.0001971900000000 ] - [ 0.0006192800000000, -0.0016381200000000, 0.0003113600000000 ] - [ 0.0006460700000000, -0.0033621000000000, 0.0021006900000000 ] - [ 0.0003316300000000, 0.0001344400000000, 0.0006339600000000 ] - [ 0.0006354100000000, 0.0075278500000000, -0.0030107400000000 ] - [ 0.0001283400000000, 0.0007504600000000, 0.0004783000000000 ] - [ 0.0007179300000000, 0.0012657300000000, -0.0003578300000000 ] - [ -0.0013615500000000, 0.0003435600000000, -0.0005364100000000 ] - [ -0.0015234700000000, -0.0010508900000000, -0.0006480100000000 ] - [ 0.0000124000000000, -0.0001507900000000, -0.0005977500000000 ] - [ 0.0002110400000000, -0.0023409900000000, -0.0015175300000000 ] - [ 0.0007740300000000, 0.0000524300000000, -0.0001320500000000 ] - [ 0.0007129300000000, -0.0014747700000000, -0.0017353900000000 ] - [ 0.0006488000000000, -0.0000674500000000, -0.0001608300000000 ] - [ -0.0011918700000000, 0.0022140500000000, 0.0000089600000000 ] - [ -0.0016452900000000, 0.0021200600000000, -0.0000322500000000 ] - [ -0.0001613500000000, -0.0017719700000000, 0.0002125700000000 ] - [ -0.0006354900000000, -0.0014030000000000, 0.0005473800000000 ] - [ -0.0022373700000000, -0.0010373200000000, 0.0001284700000000 ] - [ -0.0000811300000000, -0.0001230100000000, -0.0001643300000000 ] - [ 0.0017897900000000, 0.0003493700000000, -0.0021817900000000 ] - [ -0.0010275000000000, 0.0001089300000000, -0.0003236400000000 ] - [ 0.0007569500000000, 0.0005604500000000, -0.0000514100000000 ] - [ -0.0041868600000000, 0.0012144300000000, -0.0015716200000000 ] - [ 0.0000673800000000, -0.0005895600000000, 0.0003382000000000 ] - [ 0.0009278000000000, -0.0011805100000000, 0.0004346000000000 ] - [ 0.0093107000000000, 0.1253940000000000, -0.1097865700000000 ] - [ -0.0001240000000000, 0.0002122600000000, 0.0001971800000000 ] - [ -0.0002282300000000, -0.0118214600000000, 0.0031916700000000 ] - [ -0.0000674700000000, -0.0001725600000000, 0.0003674000000000 ] - [ 0.0012626500000000, -0.0019537400000000, -0.0014780900000000 ] - [ -0.0005168500000000, -0.0006311400000000, -0.0003352400000000 ] - [ -0.0022028600000000, 0.0037642700000000, 0.0020755900000000 ] - [ 0.0011473900000000, 0.0007069000000000, -0.0005752600000000 ] - [ -0.0001041000000000, -0.0131299000000000, -0.0014001600000000 ] - [ -0.0009257700000000, -0.0001980000000000, -0.0001712400000000 ] - [ -0.0411454300000000, 0.2654262300000000, 0.0404866300000000 ] - [ -0.0010273900000000, 0.0005910300000000, 0.0000043000000000 ] - [ 0.0030264000000000, 0.0005671100000000, -0.0003109000000000 ] - [ 0.0001796400000000, 0.0001625400000000, 0.0000858600000000 ] - [ -0.0010980100000000, -0.0020479800000000, 0.0013950200000000 ] - [ 0.0014471600000000, -0.0001623000000000, 0.0000217500000000 ] - [ 0.0056411700000000, -0.0030895200000000, 0.0007123900000000 ] - [ -0.0005493400000000, -0.0006778100000000, 0.0001000900000000 ] - [ -0.0123894800000000, -0.0028900500000000, -0.0037545500000000 ] - [ 0.0008101900000000, -0.0005308500000000, -0.0002553700000000 ] - [ -0.0218829600000000, 0.0570923800000000, 0.0110168000000000 ] - [ -0.0003985300000000, -0.0002581700000000, 0.0001162700000000 ] - [ -0.0004881600000000, -0.0047114700000000, 0.0005759900000000 ] - [ -0.0000311800000000, -0.0007758600000000, 0.0000129000000000 ] - [ 0.0021145300000000, -0.0003604300000000, 0.0009032100000000 ] - [ -0.0006144700000000, -0.0000313600000000, -0.0000381000000000 ] - [ -0.0035031300000000, 0.0013671500000000, -0.0007551500000000 ] - [ 0.0009116700000000, 0.0008664000000000, -0.0001704800000000 ] - [ 0.0591651900000000, 0.0842598100000000, 0.0531207900000000 ] - [ -0.0000307900000000, 0.0005661500000000, -0.0001141200000000 ] - [ -0.0003225600000000, -0.0053698900000000, 0.0004892200000000 ] - [ -0.0001613600000000, 0.0002180300000000, -0.0001907400000000 ] - [ -0.0050414800000000, -0.5665307400000000, 0.0032713900000000 ] - [ 0.0002890200000000, -0.0002225400000000, -0.0001792600000000 ] - [ -0.0002484300000000, 0.0181616400000000, -0.0046170600000000 ] - [ 0.0001301900000000, 0.0009221600000000, -0.0000844000000000 ] - [ -0.0065798700000000, 0.0017535000000000, 0.0020402900000000 ] - [ 0.0010386200000000, 0.0007689800000000, 0.0001219800000000 ] - [ 0.0118555100000000, 0.0017737300000000, -0.0043112000000000 ] - [ -0.0013893100000000, 0.0007778100000000, 0.0005732100000000 ] - [ 0.0010764100000000, 0.0050169700000000, -0.0029353500000000 ] - [ -0.0005315200000000, 0.0000924400000000, 0.0006576000000000 ] - [ 0.0018806800000000, -0.0017459300000000, 0.0100997400000000 ] - [ 0.0004458400000000, -0.0003590900000000, 0.0007216300000000 ] - [ -0.0004098900000000, -0.0027918200000000, 0.0001853500000000 ] - [ 0.0045391600000000, -0.0020125100000000, -0.0013903300000000 ] - [ 0.0007069700000000, 0.0028311100000000, -0.0007823600000000 ] - [ -0.0006429100000000, 0.0019155600000000, -0.0014336600000000 ] - [ -0.0035699400000000, -0.0045322100000000, -0.0009304100000000 ] - [ 0.0005150300000000, -0.0021148800000000, -0.0002157500000000 ] - [ 0.0008788900000000, 0.0024819300000000, 0.0000771200000000 ] - [ -0.0003309600000000, 0.0005949100000000, 0.0004044600000000 ] - [ -0.0022843500000000, 0.0220677700000000, -0.0111440300000000 ] - [ 0.0002632800000000, -0.0005289000000000, -0.0001269100000000 ] - [ 0.0058559300000000, 0.0269397300000000, 0.0274115800000000 ] - [ -0.0001476600000000, -0.0005957300000000, -0.0003956100000000 ] - [ 0.0011563500000000, -0.0060721200000000, 0.0118775400000000 ] - [ 0.0000665900000000, -0.0002792900000000, -0.0000693200000000 ] - [ -0.0001376300000000, 0.0039231200000000, -0.0014655400000000 ] - [ 0.0003916900000000, 0.0002468900000000, -0.0000946800000000 ] - [ -0.0008296300000000, 0.0005173500000000, -0.0006327900000000 ] - [ 0.0013280100000000, 0.0009784300000000, 0.0001759800000000 ] - [ 0.0007249200000000, -0.0006528600000000, 0.0012731900000000 ] - [ -0.0019756000000000, -0.0010719500000000, 0.0002249800000000 ] - [ -0.0016047200000000, -0.0038928000000000, -0.0008187200000000 ] - [ 0.0001127700000000, -0.0002439900000000, 0.0000530600000000 ] - [ 0.0001595500000000, 0.0026646600000000, 0.0003687000000000 ] - [ -0.0001148300000000, 0.0003531400000000, -0.0000280000000000 ] - [ -0.0038465100000000, 0.0049035900000000, 0.0034858200000000 ] - [ 0.0003396800000000, 0.0002346500000000, 0.0000237300000000 ] - [ 0.0060069400000000, 0.0028023000000000, -0.0060812800000000 ] - [ -0.0000975200000000, -0.0000878300000000, -0.0000606500000000 ] - [ -0.0002552000000000, 0.0001543500000000, -0.0003863500000000 ] - [ 0.0036710000000000, 0.0036554700000000, 0.0004743000000000 ] - [ 0.0004952900000000, -0.0002562900000000, -0.0006826000000000 ] - [ -0.0071748500000000, 0.0011159700000000, -0.0041233100000000 ] - [ 0.0013880500000000, -0.0049111800000000, 0.0004610900000000 ] - [ -0.0001681500000000, -0.0006482700000000, 0.0004604700000000 ] - [ -0.0007700200000000, 0.0022637300000000, 0.0010648900000000 ] - [ 0.0001516200000000, 0.0004851700000000, 0.0005561100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012956000000000, 0.0028042700000000, -0.0026925500000000 ] - [ -0.0000565200000000, -0.0000439300000000, 0.0000465500000000 ] - [ -0.0030518900000000, 0.0002070800000000, 0.0135941400000000 ] - [ 0.0001938100000000, -0.0002448300000000, 0.0000799200000000 ] - [ -0.0009254200000000, -0.0006154500000000, 0.0005898500000000 ] - [ 0.0016669600000000, -0.0012472000000000, -0.0003680000000000 ] - [ 0.0003502200000000, 0.0007597700000000, -0.0003140700000000 ] - [ -0.0006426400000000, 0.0013402500000000, -0.0004305700000000 ] - [ -0.0000689300000000, 0.0042057800000000, -0.0009595100000000 ] - [ 0.0002478000000000, 0.0007026500000000, 0.0005124200000000 ] - [ -0.0000697300000000, -0.0067102000000000, 0.0041594000000000 ] - [ 0.0004536500000000, 0.0000826500000000, 0.0006700700000000 ] - [ -0.0012981700000000, -0.0004212700000000, -0.0007885500000000 ] - [ 0.0007886500000000, 0.0005026100000000, -0.0006066000000000 ] - [ 0.0009511900000000, 0.0018862900000000, -0.0005007700000000 ] - [ -0.0005935400000000, 0.0009827100000000, -0.0005494200000000 ] - [ 0.0013195300000000, 0.0024027500000000, 0.0012554600000000 ] - [ 0.0007612500000000, -0.0000179100000000, -0.0001353100000000 ] - [ 0.0008148700000000, 0.0014948100000000, 0.0014604000000000 ] - [ 0.0008859200000000, 0.0001025100000000, -0.0001062600000000 ] - [ -0.0003427100000000, -0.0021877300000000, 0.0002601700000000 ] - [ 0.0001174300000000, -0.0020911200000000, 0.0003001400000000 ] - [ -0.0013692000000000, 0.0018070000000000, 0.0000523900000000 ] - [ -0.0009012600000000, 0.0014379100000000, -0.0002805500000000 ] - [ 0.0013161200000000, 0.0010327000000000, -0.0005775300000000 ] - [ -0.0008342700000000, 0.0001097600000000, -0.0002845800000000 ] - [ -0.0027091600000000, -0.0003714100000000, 0.0017294900000000 ] - [ 0.0001112700000000, -0.0001243100000000, -0.0001258500000000 ] - [ 0.0001603100000000, -0.0005753400000000, 0.0005042500000000 ] - [ 0.0051405100000000, -0.0012303400000000, 0.0020407900000000 ] - [ 0.0008584400000000, 0.0005735100000000, 0.0001114400000000 ] - [ -0.0000197400000000, 0.0011638700000000, 0.0000165300000000 ] - [ -0.0088916700000000, -0.1241725500000000, 0.1057347900000000 ] - [ 0.0000192500000000, -0.0001617700000000, 0.0003456400000000 ] - [ 0.0001193300000000, 0.0118133500000000, -0.0026435000000000 ] - [ -0.0000381700000000, 0.0002230000000000, 0.0001763000000000 ] - [ -0.0011485700000000, 0.0020127900000000, 0.0009373100000000 ] - [ 0.0006192300000000, 0.0006874900000000, -0.0002024800000000 ] - [ 0.0023055100000000, -0.0037379100000000, -0.0026287900000000 ] - [ -0.0010397500000000, -0.0006577300000000, 0.0000308100000000 ] - [ -0.0017543400000000, 0.0134291700000000, 0.0012185600000000 ] - [ -0.0009461000000000, 0.0005672500000000, -0.0000184900000000 ] - [ 0.0434895700000000, -0.2843896800000000, -0.0446259100000000 ] - [ -0.0008442600000000, -0.0002236300000000, -0.0001952900000000 ] - [ -0.0011650400000000, -0.0001697400000000, 0.0004868500000000 ] - [ 0.0016954500000000, 0.0002104900000000, 0.0001045800000000 ] - [ 0.0029754000000000, 0.0024090300000000, -0.0012047000000000 ] - [ 0.0004251600000000, 0.0005260500000000, 0.0001694500000000 ] - [ -0.0054077800000000, 0.0020225500000000, -0.0007552700000000 ] - [ 0.0007652600000000, -0.0003984600000000, -0.0001417600000000 ] - [ 0.0126226100000000, 0.0018089800000000, 0.0037073500000000 ] - [ -0.0005928200000000, -0.0005490100000000, 0.0002150800000000 ] - [ 0.0230713800000000, -0.0587107600000000, -0.0115587900000000 ] - [ 0.0001870800000000, -0.0008210400000000, -0.0000761400000000 ] - [ 0.0002829800000000, 0.0036233700000000, -0.0005344700000000 ] - [ -0.0001839200000000, -0.0003037700000000, 0.0000279900000000 ] - [ -0.0019903000000000, 0.0011571300000000, -0.0006023000000000 ] - [ 0.0007312600000000, 0.0008246700000000, 0.0003391100000000 ] - [ 0.0036260900000000, -0.0005800200000000, 0.0010576500000000 ] - [ -0.0007889400000000, -0.0000812500000000, 0.0004731400000000 ] - [ -0.0583296900000000, -0.0839789600000000, -0.0526162100000000 ] - [ -0.0000886300000000, 0.0002238700000000, -0.0001867600000000 ] - [ 0.0001984600000000, 0.0061533200000000, -0.0007978800000000 ] - [ 0.0000439900000000, 0.0005728900000000, -0.0001108600000000 ] - [ -0.0018439000000000, 0.5866529700000001, 0.0050386000000000 ] - [ -0.0000927500000000, 0.0009597600000000, -0.0000114100000000 ] - [ 0.0004304200000000, -0.0173509400000000, 0.0044244400000000 ] - [ 0.0000660800000000, -0.0001877700000000, -0.0001101300000000 ] - [ 0.0063502400000000, -0.0010504700000000, -0.0018408200000000 ] - [ -0.0012371000000000, -0.0000436800000000, 0.0000675000000000 ] - [ -0.0120839800000000, -0.0010309800000000, 0.0045218500000000 ] - [ 0.0011857700000000, -0.0000347600000000, -0.0003809400000000 ] - [ -0.0014400300000000, -0.0053197500000000, 0.0042420600000000 ] - [ 0.0001693900000000, -0.0003613000000000, 0.0006658200000000 ] - [ -0.0022335200000000, 0.0014944100000000, -0.0087929300000000 ] - [ -0.0008106000000000, 0.0000947600000000, 0.0005995600000000 ] - [ 0.0007715600000000, 0.0025267700000000, -0.0015237900000000 ] - [ -0.0042017400000000, 0.0017398500000000, 0.0000759400000000 ] - [ -0.0003525500000000, -0.0031028000000000, -0.0005385000000000 ] - [ 0.0010166800000000, -0.0021814400000000, 0.0001158400000000 ] - [ 0.0035640000000000, 0.0033945100000000, 0.0014129800000000 ] - [ -0.0005477000000000, 0.0009786100000000, 0.0007195000000000 ] - [ -0.0009164300000000, -0.0036186500000000, 0.0004209400000000 ] - [ 0.0003064100000000, -0.0017311200000000, 0.0000951600000000 ] - [ 0.0022720200000000, -0.0230577800000000, 0.0104744500000000 ] - [ -0.0002377900000000, -0.0006130000000000, -0.0003755100000000 ] - [ -0.0057916900000000, -0.0282788100000000, -0.0280529600000000 ] - [ 0.0001722700000000, -0.0005435500000000, -0.0001067300000000 ] - [ -0.0007842000000000, 0.0060229700000000, -0.0120633900000000 ] - [ 0.0003067500000000, 0.0002514700000000, -0.0001134200000000 ] - [ 0.0005164600000000, -0.0039487400000000, 0.0012963400000000 ] - [ -0.0000223800000000, -0.0002753900000000, -0.0000875400000000 ] - [ 0.0004534100000000, -0.0005505000000000, 0.0008150400000000 ] - [ -0.0016973500000000, -0.0010124200000000, 0.0000067100000000 ] - [ -0.0011000900000000, 0.0006327000000000, -0.0010928100000000 ] - [ 0.0016028500000000, 0.0010527800000000, -0.0000430000000000 ] - [ 0.0014348500000000, 0.0040196300000000, 0.0007682700000000 ] - [ -0.0002926700000000, 0.0003732700000000, -0.0001116800000000 ] - [ -0.0003379600000000, -0.0025342400000000, -0.0004286000000000 ] - [ -0.0000631900000000, -0.0002233000000000, -0.0000300200000000 ] - [ 0.0039866600000000, -0.0047428200000000, -0.0033812400000000 ] - [ -0.0001628300000000, -0.0001063100000000, 0.0000345400000000 ] - [ -0.0058697100000000, -0.0027028900000000, 0.0061877100000000 ] - [ 0.0002736700000000, 0.0002190900000000, 0.0001190300000000 ] - [ 0.0003683400000000, -0.0002814400000000, -0.0006213000000000 ] - [ -0.0035241100000000, -0.0037757400000000, -0.0014738800000000 ] - [ -0.0003818900000000, 0.0001340200000000, -0.0003250100000000 ] - [ 0.0073250100000000, -0.0012469600000000, 0.0031214800000000 ] - [ -0.0015100000000000, 0.0047820100000000, 0.0005535200000000 ] - [ 0.0000537600000000, 0.0005243900000000, 0.0005469400000000 ] - [ 0.0006596600000000, -0.0023835900000000, -0.0000583500000000 ] - [ -0.0002684500000000, -0.0006098100000000, 0.0004514300000000 ]- atom: 65 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0022987100000000, 0.0025488800000000, -0.0120567000000000 ] - [ -0.0001002700000000, -0.0002263500000000, -0.0000636700000000 ] - [ -0.0001067200000000, -0.0016905800000000, -0.0057568400000000 ] - [ 0.0000193100000000, -0.0000953500000000, -0.0000475200000000 ] - [ 0.0027110400000000, -0.0002899500000000, -0.0029897900000000 ] - [ -0.0027218100000000, 0.0000694400000000, -0.0004345200000000 ] - [ -0.0002491500000000, 0.0000551700000000, 0.0002877500000000 ] - [ 0.0000124100000000, -0.0003177500000000, -0.0002242100000000 ] - [ -0.0005858500000000, -0.0001368300000000, -0.0023082800000000 ] - [ 0.0002434300000000, 0.0003927100000000, 0.0005072900000000 ] - [ -0.0004056100000000, 0.0071753000000000, -0.0076469200000000 ] - [ 0.0003069900000000, 0.0005516500000000, 0.0004646600000000 ] - [ -0.0007688000000000, -0.0000923700000000, -0.0025939000000000 ] - [ -0.0013694800000000, -0.0007979600000000, -0.0016091700000000 ] - [ -0.0003388800000000, 0.0007046400000000, -0.0008406100000000 ] - [ -0.0001580000000000, 0.0005832500000000, -0.0007030100000000 ] - [ 0.0006336300000000, -0.0054520000000000, -0.0089962100000000 ] - [ 0.0007213200000000, -0.0001811000000000, -0.0002531800000000 ] - [ 0.0004257300000000, 0.0018135400000000, -0.0015350600000000 ] - [ 0.0008107200000000, 0.0001240100000000, -0.0001789600000000 ] - [ -0.0008201400000000, 0.0004367300000000, -0.0015847000000000 ] - [ -0.0018746600000000, 0.0012574000000000, -0.0004762700000000 ] - [ -0.0005097700000000, -0.0003176700000000, -0.0003688100000000 ] - [ -0.0006184400000000, -0.0002245500000000, -0.0000714700000000 ] - [ 0.0006519000000000, -0.0015879300000000, -0.0038424500000000 ] - [ -0.0006186400000000, -0.0001508900000000, -0.0004095300000000 ] - [ -0.0008462400000000, 0.0011818800000000, -0.0019195400000000 ] - [ -0.0003732500000000, 0.0001302100000000, -0.0003507200000000 ] - [ 0.0011210400000000, 0.0000135700000000, -0.0007609000000000 ] - [ -0.0041698100000000, -0.0000592000000000, -0.0035181400000000 ] - [ 0.0004442900000000, -0.0000301100000000, 0.0002687000000000 ] - [ 0.0010638400000000, -0.0000030000000000, 0.0000028300000000 ] - [ -0.0178236500000000, -0.0991619000000000, 0.2244124300000000 ] - [ -0.0000524500000000, -0.0000938600000000, 0.0004553400000000 ] - [ -0.0001728300000000, 0.0005618800000000, 0.0004453100000000 ] - [ -0.0000474500000000, 0.0000313500000000, 0.0003355600000000 ] - [ -0.0015980900000000, -0.0001515600000000, 0.0020160800000000 ] - [ -0.0001594900000000, 0.0001690900000000, 0.0004661400000000 ] - [ 0.0015142500000000, 0.0052232700000000, 0.0040475700000000 ] - [ 0.0001680600000000, 0.0003901400000000, 0.0003427600000000 ] - [ -0.0007270700000000, 0.0089020100000000, 0.0052040800000000 ] - [ -0.0009272600000000, 0.0001565700000000, -0.0000231400000000 ] - [ -0.0072050700000000, 0.0449727400000000, 0.0639317300000000 ] - [ -0.0008962100000000, 0.0002919800000000, 0.0000405000000000 ] - [ 0.0006564900000000, -0.0051346900000000, 0.0054285100000000 ] - [ 0.0017714900000000, 0.0003707100000000, 0.0009919200000000 ] - [ -0.0001227300000000, 0.0011943000000000, 0.0010720900000000 ] - [ 0.0012779600000000, 0.0001384900000000, 0.0004297900000000 ] - [ -0.0119930400000000, 0.0032219500000000, -0.0010687100000000 ] - [ 0.0005437600000000, -0.0004700000000000, 0.0000436800000000 ] - [ -0.0038715700000000, -0.0016649900000000, 0.0008919000000000 ] - [ 0.0006004200000000, -0.0004644100000000, 0.0000595900000000 ] - [ -0.0885364900000000, 0.0100340600000000, 0.0964198300000000 ] - [ -0.0003213600000000, -0.0005142600000000, 0.0002495600000000 ] - [ -0.0023957800000000, 0.0004656900000000, 0.0015251000000000 ] - [ -0.0000442400000000, -0.0005524200000000, 0.0000919500000000 ] - [ -0.0031300800000000, -0.0003513200000000, -0.0000570500000000 ] - [ 0.0010367800000000, 0.0004309300000000, 0.0001716800000000 ] - [ -0.0009380800000000, 0.0007149900000000, 0.0008233200000000 ] - [ 0.0010685900000000, -0.0002978500000000, 0.0000797300000000 ] - [ 0.1135588100000000, 0.0560923200000000, 0.1641882700000000 ] - [ 0.0000929500000000, 0.0003921800000000, -0.0000281300000000 ] - [ 0.0010997600000000, 0.0018982400000000, 0.0021349400000000 ] - [ -0.0000137200000000, 0.0004626200000000, -0.0000998000000000 ] - [ -0.0013366000000000, -0.0073199900000000, -0.5806464500000000 ] - [ 0.0001147900000000, 0.0002850700000000, -0.0004597100000000 ] - [ 0.0025332800000000, -0.0041507000000000, -0.0027554500000000 ] - [ 0.0000597200000000, 0.0003815400000000, -0.0002076700000000 ] - [ 0.0119756100000000, 0.0048340100000000, -0.0057355000000000 ] - [ -0.0011383300000000, -0.0001113400000000, -0.0009271300000000 ] - [ 0.0052542300000000, -0.0015950000000000, -0.0057582800000000 ] - [ -0.0011379800000000, 0.0003463200000000, -0.0009242500000000 ] - [ 0.0015640900000000, 0.0061738400000000, 0.0141700100000000 ] - [ 0.0000256400000000, 0.0000793100000000, 0.0008811600000000 ] - [ 0.0031934000000000, -0.0058408600000000, 0.0103087000000000 ] - [ -0.0002470300000000, -0.0003359400000000, 0.0008929800000000 ] - [ 0.0001017800000000, -0.0000596900000000, 0.0039667400000000 ] - [ 0.0047931800000000, -0.0001655300000000, 0.0009845200000000 ] - [ 0.0001599800000000, -0.0000488100000000, -0.0009886000000000 ] - [ -0.0005169500000000, 0.0000216700000000, -0.0002149200000000 ] - [ -0.0111887600000000, -0.0016236200000000, -0.0066853100000000 ] - [ 0.0006722700000000, -0.0007880800000000, -0.0013845000000000 ] - [ 0.0009783900000000, -0.0011232100000000, -0.0003035900000000 ] - [ -0.0000634800000000, -0.0003724500000000, -0.0000383300000000 ] - [ 0.0047814800000000, -0.0323441300000000, 0.0101007100000000 ] - [ -0.0000785500000000, -0.0004578600000000, -0.0003556100000000 ] - [ 0.0004614600000000, 0.0094663000000000, 0.0045918200000000 ] - [ -0.0001524000000000, -0.0006718800000000, -0.0003427800000000 ] - [ 0.0093386200000000, 0.0010599000000000, 0.0316022000000000 ] - [ -0.0001902600000000, 0.0000487400000000, -0.0000021700000000 ] - [ -0.0002245100000000, -0.0001832100000000, -0.0010540000000000 ] - [ 0.0002459200000000, -0.0000676000000000, -0.0000721300000000 ] - [ 0.0001340400000000, 0.0003725300000000, 0.0014332200000000 ] - [ -0.0007857300000000, 0.0005558300000000, 0.0012447600000000 ] - [ -0.0000495000000000, -0.0004225800000000, 0.0007499400000000 ] - [ -0.0003087100000000, -0.0005804500000000, 0.0012706800000000 ] - [ 0.0039807200000000, 0.0013037700000000, 0.0073031200000000 ] - [ -0.0001557500000000, 0.0000542900000000, 0.0002020000000000 ] - [ 0.0004003900000000, -0.0006671000000000, 0.0010138600000000 ] - [ -0.0001766200000000, 0.0000559400000000, 0.0000475000000000 ] - [ -0.0022952200000000, 0.0056383600000000, 0.0010454500000000 ] - [ 0.0002619800000000, 0.0002470300000000, 0.0000076700000000 ] - [ -0.0013911900000000, -0.0052673800000000, 0.0009337300000000 ] - [ 0.0001520800000000, -0.0000970900000000, -0.0000250800000000 ] - [ -0.0000125200000000, 0.0002982400000000, -0.0006829100000000 ] - [ 0.0013402000000000, 0.0034576800000000, -0.0025947800000000 ] - [ -0.0002215000000000, -0.0004026900000000, -0.0004889400000000 ] - [ 0.0005380600000000, -0.0029322400000000, -0.0019817200000000 ] - [ -0.0078406000000000, 0.0009497900000000, 0.0050275000000000 ] - [ 0.0000263600000000, 0.0000491500000000, 0.0004570800000000 ] - [ -0.0009945700000000, -0.0004763600000000, 0.0008302500000000 ] - [ 0.0001775900000000, -0.0002166200000000, 0.0005515100000000 ]- atom: 65 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0022611100000000, -0.0028218300000000, 0.0121796800000000 ] - [ 0.0001207800000000, -0.0000638700000000, 0.0002448500000000 ] - [ 0.0001187000000000, 0.0014376800000000, 0.0059446200000000 ] - [ 0.0000014000000000, -0.0001943300000000, 0.0002306400000000 ] - [ -0.0027587100000000, 0.0000011100000000, 0.0028398200000000 ] - [ 0.0027061200000000, -0.0003611300000000, 0.0002649200000000 ] - [ 0.0002285000000000, -0.0003443200000000, -0.0004695100000000 ] - [ -0.0000308900000000, 0.0000292600000000, 0.0000430700000000 ] - [ 0.0011496000000000, 0.0010158200000000, 0.0034165800000000 ] - [ 0.0003241600000000, 0.0005010300000000, 0.0006032800000000 ] - [ 0.0009325200000000, -0.0062303900000000, 0.0087296200000000 ] - [ 0.0002619800000000, 0.0003411000000000, 0.0006465100000000 ] - [ 0.0002151400000000, 0.0009817200000000, 0.0014896800000000 ] - [ 0.0007954900000000, 0.0016892800000000, 0.0005044400000000 ] - [ -0.0002249400000000, 0.0001912000000000, -0.0002680200000000 ] - [ -0.0004117300000000, 0.0003146200000000, -0.0004028400000000 ] - [ 0.0008601000000000, 0.0053621500000000, 0.0086828000000000 ] - [ 0.0008010000000000, 0.0001544200000000, -0.0000356000000000 ] - [ 0.0010984200000000, -0.0018082400000000, 0.0012555100000000 ] - [ 0.0007118500000000, -0.0001492600000000, -0.0001096900000000 ] - [ -0.0006864600000000, -0.0004623400000000, 0.0018792000000000 ] - [ 0.0003454900000000, -0.0012845900000000, 0.0007721500000000 ] - [ -0.0010129700000000, 0.0002938700000000, 0.0006576700000000 ] - [ -0.0009049100000000, 0.0001995900000000, 0.0003638300000000 ] - [ -0.0015255000000000, 0.0015583500000000, 0.0033770800000000 ] - [ -0.0002401600000000, 0.0001336300000000, -0.0000535600000000 ] - [ -0.0000448800000000, -0.0011870200000000, 0.0014681000000000 ] - [ -0.0004841900000000, -0.0001468100000000, -0.0001130900000000 ] - [ -0.0002552400000000, -0.0000317700000000, 0.0012296800000000 ] - [ 0.0049991000000000, 0.0000378300000000, 0.0040008800000000 ] - [ 0.0004178100000000, 0.0000126300000000, 0.0001957400000000 ] - [ -0.0002114900000000, -0.0000118400000000, 0.0004669600000000 ] - [ 0.0191501300000000, 0.1082668000000000, -0.2363665800000000 ] - [ -0.0000495400000000, 0.0001704300000000, 0.0000604700000000 ] - [ 0.0000703700000000, -0.0004907200000000, 0.0000578100000000 ] - [ -0.0000549800000000, 0.0000457100000000, 0.0001815700000000 ] - [ 0.0016983100000000, 0.0002326900000000, -0.0025348900000000 ] - [ 0.0002661100000000, -0.0000909900000000, -0.0009864100000000 ] - [ -0.0014252000000000, -0.0051704700000000, -0.0045800500000000 ] - [ -0.0000632100000000, -0.0003143900000000, -0.0008659500000000 ] - [ -0.0011339800000000, -0.0085563500000000, -0.0054000100000000 ] - [ -0.0009347600000000, 0.0001692700000000, -0.0001805000000000 ] - [ 0.0052792600000000, -0.0437020400000000, -0.0634790100000000 ] - [ -0.0009652700000000, 0.0000313900000000, -0.0002445900000000 ] - [ 0.0011881800000000, 0.0054686100000000, -0.0052539700000000 ] - [ 0.0000891500000000, -0.0000484600000000, -0.0007947600000000 ] - [ 0.0019886000000000, -0.0008706400000000, -0.0008763600000000 ] - [ 0.0005836900000000, 0.0001878100000000, -0.0002299600000000 ] - [ 0.0122317100000000, -0.0042875200000000, 0.0009942600000000 ] - [ -0.0002894200000000, -0.0006036400000000, -0.0000954800000000 ] - [ 0.0041291500000000, 0.0006006500000000, -0.0009661300000000 ] - [ -0.0003489700000000, -0.0006087000000000, -0.0001105000000000 ] - [ 0.0861570000000000, -0.0107749200000000, -0.0964982600000000 ] - [ 0.0000708500000000, -0.0005596000000000, -0.0001998000000000 ] - [ 0.0021338300000000, -0.0015350500000000, -0.0014695000000000 ] - [ -0.0002075700000000, -0.0005210100000000, -0.0000423300000000 ] - [ 0.0032164700000000, 0.0011552700000000, 0.0003250900000000 ] - [ -0.0009446800000000, 0.0003681900000000, 0.0000991900000000 ] - [ 0.0010325200000000, 0.0000865500000000, -0.0005561400000000 ] - [ -0.0009829100000000, 0.0011010200000000, 0.0001886200000000 ] - [ -0.1072417100000000, -0.0519027500000000, -0.1602786400000000 ] - [ -0.0001863200000000, 0.0004078300000000, -0.0002456400000000 ] - [ -0.0011912400000000, -0.0010942900000000, -0.0023976600000000 ] - [ -0.0000777000000000, 0.0003388300000000, -0.0001746100000000 ] - [ -0.0041471400000000, -0.0057660900000000, 0.5881758600000000 ] - [ 0.0000847600000000, 0.0004535800000000, 0.0002661100000000 ] - [ -0.0023286100000000, 0.0048877000000000, 0.0025569200000000 ] - [ 0.0001394000000000, 0.0003556600000000, 0.0000125000000000 ] - [ -0.0121793100000000, -0.0041014500000000, 0.0059481600000000 ] - [ 0.0009363600000000, 0.0008523400000000, 0.0011282800000000 ] - [ -0.0054716700000000, 0.0023383500000000, 0.0059824900000000 ] - [ 0.0009426400000000, 0.0003899200000000, 0.0011308000000000 ] - [ -0.0018705300000000, -0.0063602000000000, -0.0128188300000000 ] - [ -0.0003798300000000, -0.0003451600000000, 0.0004437100000000 ] - [ -0.0034981300000000, 0.0054902700000000, -0.0089977800000000 ] - [ -0.0001089500000000, 0.0000695400000000, 0.0004304900000000 ] - [ 0.0002273000000000, -0.0002010100000000, -0.0053216800000000 ] - [ -0.0044108700000000, -0.0000943100000000, -0.0023413500000000 ] - [ 0.0001910700000000, -0.0002208500000000, -0.0003392900000000 ] - [ 0.0008757200000000, -0.0002928000000000, -0.0011204900000000 ] - [ 0.0111458800000000, 0.0004994800000000, 0.0071895000000000 ] - [ -0.0007077300000000, -0.0003479900000000, 0.0018908300000000 ] - [ -0.0010050900000000, -0.0000167500000000, 0.0008063100000000 ] - [ 0.0000305300000000, -0.0007666200000000, 0.0005433000000000 ] - [ -0.0047302500000000, 0.0313158400000000, -0.0106471200000000 ] - [ 0.0001077000000000, -0.0006827300000000, -0.0001483700000000 ] - [ -0.0004718600000000, -0.0107094200000000, -0.0050626200000000 ] - [ 0.0001824500000000, -0.0004684900000000, -0.0001607000000000 ] - [ -0.0087796900000000, -0.0010652900000000, -0.0315374900000000 ] - [ 0.0005664700000000, -0.0000765400000000, -0.0001807700000000 ] - [ 0.0006094400000000, 0.0001467700000000, 0.0008560800000000 ] - [ 0.0001304800000000, 0.0000393000000000, -0.0001101500000000 ] - [ -0.0005148200000000, -0.0003948600000000, -0.0012476500000000 ] - [ 0.0004129400000000, -0.0005796300000000, -0.0010632500000000 ] - [ -0.0003329500000000, 0.0003919500000000, -0.0005658500000000 ] - [ -0.0000539500000000, 0.0005519400000000, -0.0010895800000000 ] - [ -0.0041979200000000, -0.0011671900000000, -0.0073854100000000 ] - [ -0.0000213300000000, 0.0000743900000000, -0.0002565800000000 ] - [ -0.0005805500000000, 0.0007922500000000, -0.0010662700000000 ] - [ -0.0000012400000000, 0.0000719400000000, -0.0001022800000000 ] - [ 0.0024596600000000, -0.0054751700000000, -0.0010044100000000 ] - [ -0.0000850300000000, -0.0001185400000000, 0.0000462500000000 ] - [ 0.0015448300000000, 0.0053573700000000, -0.0008916200000000 ] - [ 0.0000255200000000, 0.0002253700000000, 0.0000790600000000 ] - [ 0.0001281000000000, -0.0004230600000000, -0.0003238800000000 ] - [ -0.0012279600000000, -0.0035825300000000, 0.0015800500000000 ] - [ 0.0003367600000000, 0.0002792100000000, -0.0005179400000000 ] - [ -0.0004206600000000, 0.0028111800000000, 0.0009642800000000 ] - [ 0.0077779900000000, -0.0010611900000000, -0.0040285800000000 ] - [ -0.0001416100000000, -0.0001727800000000, 0.0005497500000000 ] - [ 0.0008813400000000, 0.0003471200000000, 0.0001804000000000 ] - [ -0.0002924800000000, 0.0000921100000000, 0.0004545800000000 ]- atom: 73 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ 0.0598560100000000, 0.0014911600000000, -0.0004626600000000 ] - [ -0.0016354800000000, -0.0002181600000000, 0.0007731000000000 ] - [ 0.0028487200000000, 0.0002277000000000, 0.0013631300000000 ] - [ -0.0012365200000000, -0.0001897300000000, 0.0005336700000000 ] - [ -0.0012871200000000, -0.0005132500000000, -0.0000147200000000 ] - [ 0.0000474100000000, 0.0017436200000000, 0.0021152100000000 ] - [ -0.0012239000000000, 0.0003061100000000, -0.0000016100000000 ] - [ 0.0003493300000000, -0.0021252500000000, 0.0021705800000000 ] - [ 0.1157028700000000, -0.0814956400000000, 0.0508844300000000 ] - [ -0.0016261000000000, 0.0005374300000000, 0.0004617800000000 ] - [ 0.0034625400000000, -0.0050627500000000, 0.0009942600000000 ] - [ -0.0012833900000000, 0.0006721800000000, 0.0005074500000000 ] - [ -0.0030769600000000, -0.0008130600000000, -0.0010113400000000 ] - [ -0.0036372700000000, 0.0075395000000000, 0.0024967300000000 ] - [ -0.0018361200000000, 0.0008398300000000, -0.0008570900000000 ] - [ -0.0004799900000000, -0.0023540900000000, -0.0016150700000000 ] - [ 0.1202162200000000, 0.0959105800000000, 0.0216125900000000 ] - [ -0.0011801500000000, -0.0002144900000000, -0.0000537600000000 ] - [ 0.0039338300000000, 0.0056249700000000, 0.0015555400000000 ] - [ -0.0008286200000000, -0.0003353000000000, -0.0000527100000000 ] - [ -0.0022025000000000, -0.0002956800000000, -0.0000726600000000 ] - [ -0.0010511900000000, 0.0032790500000000, -0.0002281300000000 ] - [ -0.0035838100000000, 0.0014491800000000, -0.0000235400000000 ] - [ -0.0036564700000000, -0.0071075900000000, 0.0029168100000000 ] - [ 0.3077380500000000, -0.0158511800000000, -0.0909768300000000 ] - [ -0.0039658800000000, 0.0000812700000000, 0.0003467600000000 ] - [ 0.0068412200000000, -0.0000660300000000, -0.0011512300000000 ] - [ -0.0033101200000000, 0.0000660300000000, 0.0002290200000000 ] - [ -0.0027479200000000, -0.0003418900000000, 0.0005478900000000 ] - [ 0.0064220100000000, 0.0081054600000000, 0.0013671700000000 ] - [ -0.0027775600000000, 0.0002118100000000, 0.0005939900000000 ] - [ 0.0073345800000000, -0.0079869400000000, 0.0024848100000000 ] - [ 0.0016363300000000, 0.0008960700000000, -0.0004227800000000 ] - [ -0.0014999800000000, 0.0003714100000000, 0.0001112600000000 ] - [ 0.0011364500000000, -0.0000538200000000, -0.0005627600000000 ] - [ -0.0012977700000000, -0.0002375600000000, 0.0004574900000000 ] - [ -0.0014841700000000, 0.0004542800000000, -0.0003366800000000 ] - [ -0.0020420100000000, -0.0007025300000000, -0.0026222500000000 ] - [ -0.0005980600000000, -0.0000334800000000, -0.0001941700000000 ] - [ 0.0000201800000000, 0.0004622500000000, -0.0000598700000000 ] - [ 0.0015658300000000, -0.0015993000000000, -0.0026814300000000 ] - [ -0.0024254000000000, -0.0000343000000000, -0.0002468500000000 ] - [ 0.0002088800000000, -0.0004066000000000, -0.0003598500000000 ] - [ -0.0021535900000000, 0.0006214700000000, -0.0000891400000000 ] - [ -0.0002956100000000, -0.0003566300000000, 0.0003297600000000 ] - [ -0.0001419800000000, 0.0027882900000000, -0.0011694000000000 ] - [ 0.0000594200000000, 0.0006119800000000, 0.0001902200000000 ] - [ 0.0008151500000000, -0.0007246000000000, 0.0003978900000000 ] - [ -0.0003114300000000, -0.0006228400000000, 0.0024061300000000 ] - [ -0.0046175400000000, -0.0001152800000000, -0.0002975700000000 ] - [ -0.0004309600000000, -0.0006353200000000, 0.0006707300000000 ] - [ -0.0010406700000000, -0.0006593200000000, 0.0000372800000000 ] - [ 0.0012111300000000, -0.0015667700000000, -0.0013272600000000 ] - [ -0.0027289100000000, -0.0000605100000000, 0.0004007000000000 ] - [ 0.0009321900000000, -0.0002560300000000, -0.0014982400000000 ] - [ -0.0027024000000000, -0.0008343700000000, 0.0004676000000000 ] - [ -0.0015334200000000, 0.0004951200000000, -0.0003612300000000 ] - [ -0.0069764200000000, 0.0007010500000000, -0.0094389400000000 ] - [ -0.0010786800000000, 0.0005432500000000, -0.0002311600000000 ] - [ 0.0005985500000000, 0.0004326900000000, 0.0002164700000000 ] - [ 0.0034814100000000, -0.0002708900000000, -0.0040036300000000 ] - [ -0.0020089400000000, 0.0001386400000000, -0.0010738400000000 ] - [ 0.0022808500000000, 0.0021961200000000, -0.0041945500000000 ] - [ -0.0019951200000000, -0.0000610700000000, -0.0010902800000000 ] - [ -0.0020088700000000, 0.0016329000000000, 0.0015965100000000 ] - [ 0.0037789000000000, 0.0000160600000000, 0.0001203800000000 ] - [ -0.0016024700000000, 0.0024137900000000, 0.0032371700000000 ] - [ 0.0037503600000000, 0.0009964200000000, -0.0001520400000000 ] - [ 0.0042059000000000, 0.0009527000000000, 0.0000560900000000 ] - [ 0.0077874300000000, -0.0040170500000000, 0.0047515000000000 ] - [ 0.0017113600000000, -0.0001603000000000, 0.0000917600000000 ] - [ 0.0006249500000000, 0.0011981600000000, -0.0005961900000000 ] - [ -0.6131637800000000, 0.0039630200000000, 0.0194051600000000 ] - [ 0.0039432200000000, -0.0003020200000000, -0.0002475200000000 ] - [ -0.0118642800000000, -0.0002704200000000, -0.0014941200000000 ] - [ 0.0032184200000000, -0.0002584000000000, 0.0000894400000000 ] - [ 0.0044035000000000, 0.0016328600000000, -0.0003600600000000 ] - [ 0.0004213200000000, -0.0103112500000000, -0.0044327600000000 ] - [ 0.0044042000000000, -0.0017410000000000, -0.0006056900000000 ] - [ 0.0004438200000000, 0.0093485900000000, -0.0026944900000000 ] - [ 0.0008606400000000, 0.0000059600000000, 0.0001179700000000 ] - [ 0.0015887900000000, -0.0021156700000000, 0.0001661800000000 ] - [ 0.0009564000000000, -0.0013721400000000, 0.0001737600000000 ] - [ 0.0015026800000000, 0.0012606900000000, -0.0000609400000000 ] - [ -0.0039377200000000, -0.0023930800000000, -0.0043434800000000 ] - [ 0.0030627500000000, -0.0006177600000000, -0.0001381400000000 ] - [ -0.0012668100000000, -0.0007851900000000, -0.0005091100000000 ] - [ 0.0016442700000000, -0.0004663100000000, -0.0004845300000000 ] - [ -0.0206005200000000, 0.0043216600000000, 0.0068067600000000 ] - [ 0.0026450200000000, -0.0002155700000000, 0.0002910500000000 ] - [ -0.0182605800000000, -0.0090136700000000, 0.0026107800000000 ] - [ 0.0026259800000000, 0.0000847500000000, 0.0003203500000000 ] - [ 0.0031349600000000, -0.0000173800000000, 0.0000505000000000 ] - [ 0.0347308700000000, 0.0016009300000000, 0.0024222400000000 ] - [ 0.0019671700000000, -0.0000008000000000, 0.0001668200000000 ] - [ -0.0032224300000000, -0.0002574100000000, 0.0008078100000000 ] - [ 0.0029924400000000, 0.0035528400000000, -0.0021536600000000 ] - [ 0.0015445700000000, -0.0006934400000000, 0.0002262700000000 ] - [ 0.0030949800000000, -0.0036834200000000, -0.0025123100000000 ] - [ 0.0016239300000000, 0.0008781700000000, 0.0001734200000000 ] - [ 0.0062785100000000, 0.0005435900000000, 0.0071777200000000 ] - [ 0.0023229000000000, -0.0000057400000000, -0.0003783500000000 ] - [ 0.0004423900000000, -0.0000482900000000, 0.0005125500000000 ] - [ 0.0011707600000000, 0.0000815700000000, -0.0000249600000000 ] - [ 0.0018232700000000, -0.0000668000000000, -0.0004544400000000 ] - [ -0.0027785200000000, 0.0005145900000000, -0.0063925700000000 ] - [ 0.0014732800000000, -0.0000636700000000, -0.0004602100000000 ] - [ -0.0024590800000000, -0.0002101500000000, -0.0005956400000000 ] - [ -0.0036359000000000, -0.0046557500000000, 0.0030661000000000 ] - [ 0.0015364600000000, -0.0000133900000000, 0.0003820700000000 ] - [ -0.0031381500000000, 0.0042757900000000, 0.0030250600000000 ] - [ 0.0015136700000000, -0.0001152400000000, 0.0003886000000000 ]- atom: 73 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ -0.0597347700000000, -0.0020149700000000, -0.0013016300000000 ] - [ 0.0016517900000000, -0.0000783500000000, -0.0006931800000000 ] - [ -0.0028309800000000, -0.0005238700000000, -0.0012723700000000 ] - [ 0.0012525900000000, -0.0001067600000000, -0.0004554200000000 ] - [ 0.0012696500000000, 0.0002222500000000, -0.0000558400000000 ] - [ -0.0000550300000000, -0.0020423600000000, -0.0021969600000000 ] - [ 0.0012074300000000, -0.0006074000000000, -0.0000717700000000 ] - [ -0.0003632700000000, 0.0018284400000000, -0.0022462000000000 ] - [ -0.1157780300000000, 0.0853711000000000, -0.0516504900000000 ] - [ 0.0021952500000000, 0.0002789500000000, 0.0006946600000000 ] - [ -0.0029000100000000, 0.0058462300000000, 0.0001610600000000 ] - [ 0.0018529200000000, 0.0001439600000000, 0.0006488200000000 ] - [ 0.0025217400000000, 0.0016473900000000, -0.0001376800000000 ] - [ 0.0030964500000000, -0.0067275000000000, -0.0036420600000000 ] - [ 0.0012656000000000, -0.0000263900000000, -0.0002961400000000 ] - [ -0.0000865200000000, 0.0031720800000000, 0.0004631500000000 ] - [ -0.1194547700000000, -0.0995080200000000, -0.0228444900000000 ] - [ 0.0026949700000000, 0.0002656800000000, -0.0002070300000000 ] - [ -0.0024280300000000, -0.0055593900000000, -0.0018058200000000 ] - [ 0.0023424200000000, 0.0003878800000000, -0.0002074200000000 ] - [ 0.0006849700000000, 0.0003523300000000, 0.0003369600000000 ] - [ -0.0004520400000000, -0.0032342700000000, 0.0004912400000000 ] - [ 0.0020843900000000, -0.0014123900000000, 0.0002905300000000 ] - [ 0.0021618200000000, 0.0071676100000000, -0.0026532100000000 ] - [ -0.2899902100000000, 0.0141907200000000, 0.0822307400000000 ] - [ 0.0030220900000000, -0.0000911600000000, -0.0007841800000000 ] - [ -0.0077856900000000, 0.0000514000000000, 0.0007118400000000 ] - [ 0.0023609500000000, -0.0000762600000000, -0.0006661300000000 ] - [ 0.0037144200000000, 0.0003357100000000, -0.0001108500000000 ] - [ -0.0054439500000000, -0.0081231600000000, -0.0009048300000000 ] - [ 0.0037434500000000, -0.0002263300000000, -0.0001558600000000 ] - [ -0.0063938900000000, 0.0079458400000000, -0.0020059800000000 ] - [ -0.0017768200000000, -0.0008813600000000, 0.0009906900000000 ] - [ 0.0013839000000000, -0.0003367000000000, 0.0004446600000000 ] - [ -0.0012667900000000, 0.0000891600000000, 0.0011165300000000 ] - [ 0.0011819200000000, 0.0002698400000000, 0.0000993400000000 ] - [ 0.0016103600000000, -0.0004314400000000, -0.0002307700000000 ] - [ 0.0021643000000000, 0.0007387800000000, 0.0020536500000000 ] - [ 0.0007126300000000, 0.0000623800000000, -0.0003696100000000 ] - [ 0.0001022200000000, -0.0004298200000000, -0.0004984400000000 ] - [ -0.0034706600000000, 0.0019974000000000, 0.0025168100000000 ] - [ 0.0005429300000000, 0.0004209000000000, 0.0000677100000000 ] - [ -0.0021026900000000, 0.0007879600000000, 0.0001817900000000 ] - [ 0.0002715400000000, -0.0002322500000000, -0.0000887300000000 ] - [ 0.0021838200000000, 0.0007618000000000, -0.0001593500000000 ] - [ 0.0020297100000000, -0.0023892500000000, 0.0013390900000000 ] - [ 0.0018232700000000, -0.0002229300000000, -0.0000153400000000 ] - [ 0.0010742000000000, 0.0011121600000000, -0.0002187500000000 ] - [ 0.0005153500000000, -0.0004474600000000, -0.0024987100000000 ] - [ 0.0048185000000000, -0.0009557700000000, 0.0002322700000000 ] - [ 0.0006168900000000, -0.0004393100000000, -0.0007296700000000 ] - [ 0.0012516500000000, -0.0004151200000000, -0.0000975600000000 ] - [ -0.0014347900000000, 0.0004988500000000, 0.0013935200000000 ] - [ 0.0025346600000000, -0.0010139400000000, -0.0003429400000000 ] - [ -0.0011561700000000, -0.0008210000000000, 0.0015596700000000 ] - [ 0.0025044700000000, -0.0002408300000000, -0.0004091200000000 ] - [ 0.0016874200000000, 0.0002852400000000, 0.0006699600000000 ] - [ 0.0070889700000000, 0.0000955500000000, 0.0097204400000000 ] - [ 0.0012256100000000, 0.0002358800000000, 0.0005380700000000 ] - [ -0.0004432000000000, 0.0003452700000000, 0.0000987000000000 ] - [ -0.0036425700000000, 0.0010329800000000, 0.0036530600000000 ] - [ 0.0018636400000000, 0.0006434300000000, 0.0007626300000000 ] - [ -0.0024348100000000, -0.0013931600000000, 0.0038424700000000 ] - [ 0.0018498800000000, 0.0008430800000000, 0.0007780400000000 ] - [ 0.0022659600000000, -0.0008893500000000, -0.0017935900000000 ] - [ -0.0035719100000000, 0.0007180700000000, -0.0003143100000000 ] - [ 0.0018588900000000, -0.0016813100000000, -0.0034201700000000 ] - [ -0.0035426000000000, -0.0002588300000000, -0.0000443000000000 ] - [ -0.0044599500000000, -0.0002279700000000, 0.0001520900000000 ] - [ -0.0079811900000000, 0.0047260700000000, -0.0045145800000000 ] - [ -0.0019164200000000, 0.0009010400000000, 0.0001061600000000 ] - [ -0.0008513400000000, -0.0004589200000000, 0.0007923400000000 ] - [ 0.5951655600000000, -0.0016978100000000, -0.0049123000000000 ] - [ -0.0043080600000000, 0.0000383700000000, 0.0015830400000000 ] - [ 0.0114893300000000, 0.0000118800000000, 0.0028215300000000 ] - [ -0.0035808200000000, -0.0000052800000000, 0.0012448500000000 ] - [ -0.0040597800000000, -0.0019177400000000, -0.0009841100000000 ] - [ -0.0000613900000000, 0.0100508800000000, 0.0030833500000000 ] - [ -0.0040588000000000, 0.0014948000000000, -0.0007329800000000 ] - [ -0.0000424800000000, -0.0096106800000000, 0.0013370000000000 ] - [ -0.0008765400000000, -0.0011506100000000, 0.0003887500000000 ] - [ -0.0016226100000000, 0.0009760600000000, 0.0003431900000000 ] - [ -0.0009716800000000, 0.0002431900000000, 0.0003326200000000 ] - [ -0.0015335900000000, -0.0023964900000000, 0.0005661700000000 ] - [ 0.0040089100000000, 0.0012244300000000, 0.0039059100000000 ] - [ -0.0030387400000000, -0.0005246400000000, -0.0003660400000000 ] - [ 0.0013078200000000, -0.0003561700000000, 0.0000070800000000 ] - [ -0.0016240400000000, -0.0006748000000000, -0.0000208600000000 ] - [ 0.0209668100000000, -0.0043066000000000, -0.0069943400000000 ] - [ -0.0022824000000000, 0.0001873500000000, -0.0004766000000000 ] - [ 0.0186044900000000, 0.0089704800000000, -0.0028186600000000 ] - [ -0.0022630600000000, -0.0001113900000000, -0.0005056100000000 ] - [ -0.0035193000000000, -0.0000082100000000, 0.0001345700000000 ] - [ -0.0348307200000000, -0.0016457300000000, -0.0023297600000000 ] - [ -0.0023375400000000, -0.0000248500000000, 0.0000192100000000 ] - [ 0.0028467300000000, 0.0002361400000000, -0.0006239600000000 ] - [ -0.0031696100000000, -0.0034600600000000, 0.0021040500000000 ] - [ -0.0017269900000000, 0.0008202300000000, -0.0002887300000000 ] - [ -0.0032802500000000, 0.0038581900000000, 0.0024691100000000 ] - [ -0.0018041100000000, -0.0007475100000000, -0.0002352500000000 ] - [ -0.0061358300000000, -0.0004212000000000, -0.0072073500000000 ] - [ -0.0021483900000000, 0.0001337300000000, 0.0004398400000000 ] - [ -0.0002537600000000, 0.0001766900000000, -0.0004507800000000 ] - [ -0.0009956600000000, 0.0000479900000000, 0.0000866600000000 ] - [ -0.0017130600000000, -0.0000583800000000, -0.0005494400000000 ] - [ 0.0028765500000000, -0.0006431400000000, 0.0053800400000000 ] - [ -0.0013603500000000, -0.0000610900000000, -0.0005438800000000 ] - [ 0.0025685000000000, 0.0000867900000000, -0.0004082600000000 ] - [ 0.0035045000000000, 0.0045178100000000, -0.0020526200000000 ] - [ -0.0016538100000000, -0.0001129000000000, 0.0006216100000000 ] - [ 0.0030086700000000, -0.0043798400000000, -0.0020098000000000 ] - [ -0.0016309800000000, -0.0000079900000000, 0.0006155300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021498400000000, 0.0613294300000000, 0.0348287600000000 ] - [ 0.0001009800000000, 0.0000169200000000, 0.0000781900000000 ] - [ -0.0001800500000000, -0.0045986400000000, 0.0001931300000000 ] - [ 0.0000609100000000, -0.0002948900000000, 0.0000498900000000 ] - [ -0.0004101000000000, -0.0000675700000000, -0.0004867700000000 ] - [ 0.0018449400000000, 0.0001847900000000, -0.0022630400000000 ] - [ 0.0005524700000000, -0.0003176400000000, 0.0000437000000000 ] - [ -0.0021516000000000, -0.0002144900000000, 0.0018558500000000 ] - [ -0.0919464400000000, 0.1963681200000000, -0.0846298900000000 ] - [ 0.0002984200000000, 0.0006927900000000, 0.0005123600000000 ] - [ 0.0012494700000000, -0.0141924100000000, 0.0032766900000000 ] - [ 0.0003909000000000, 0.0001277200000000, 0.0006423200000000 ] - [ -0.0021058500000000, 0.0010921800000000, -0.0012672200000000 ] - [ 0.0015809100000000, 0.0026100300000000, -0.0000813000000000 ] - [ 0.0008545300000000, -0.0005508600000000, -0.0001791000000000 ] - [ -0.0030059500000000, -0.0016180000000000, -0.0009448500000000 ] - [ 0.1011459300000000, 0.2208293800000000, 0.0401359200000000 ] - [ 0.0009005700000000, 0.0003007500000000, -0.0000843500000000 ] - [ -0.0004424100000000, -0.0145822700000000, -0.0020964200000000 ] - [ 0.0007344100000000, -0.0002802000000000, -0.0001684500000000 ] - [ -0.0017492400000000, -0.0008428200000000, -0.0002743600000000 ] - [ 0.0020714500000000, -0.0022894200000000, 0.0001253300000000 ] - [ 0.0009710800000000, 0.0005260000000000, 0.0004811000000000 ] - [ -0.0021191300000000, 0.0035227600000000, -0.0005897000000000 ] - [ -0.0171669800000000, 0.0520934500000000, 0.0066320900000000 ] - [ -0.0003506000000000, 0.0003173200000000, -0.0002445600000000 ] - [ -0.0004857400000000, -0.0041002000000000, -0.0001839900000000 ] - [ -0.0003475600000000, -0.0003297500000000, -0.0002598800000000 ] - [ -0.0004601500000000, -0.0001904300000000, 0.0003348300000000 ] - [ 0.0113905800000000, -0.0009081800000000, -0.0019097200000000 ] - [ 0.0015449900000000, -0.0000780300000000, 0.0000126200000000 ] - [ -0.0111099800000000, -0.0001404400000000, 0.0018495400000000 ] - [ -0.0007170300000000, 0.0039488500000000, -0.0019554700000000 ] - [ 0.0000686300000000, 0.0000989300000000, 0.0002159700000000 ] - [ 0.0008052100000000, -0.0020339600000000, 0.0017249100000000 ] - [ -0.0000425900000000, -0.0000763200000000, 0.0003453000000000 ] - [ 0.0003470000000000, 0.0011197700000000, 0.0002367900000000 ] - [ -0.0001212900000000, 0.0008832600000000, 0.0002355700000000 ] - [ -0.0001708800000000, -0.0011585300000000, -0.0007769100000000 ] - [ 0.0002071600000000, -0.0008704800000000, -0.0006321300000000 ] - [ -0.0001810600000000, 0.0021342400000000, 0.0013896300000000 ] - [ -0.0009206100000000, 0.0004242400000000, -0.0000103300000000 ] - [ -0.0017767200000000, -0.0034168600000000, -0.0018397200000000 ] - [ -0.0008195200000000, -0.0000327300000000, -0.0001636500000000 ] - [ 0.0007292400000000, 0.0021118100000000, 0.0000955000000000 ] - [ 0.0015732000000000, 0.0014380100000000, -0.0000023200000000 ] - [ 0.0014118900000000, -0.0016717200000000, 0.0000938600000000 ] - [ 0.0002381100000000, -0.0010721000000000, 0.0002268500000000 ] - [ 0.0016439500000000, 0.0021314700000000, 0.0000919600000000 ] - [ 0.0001611700000000, -0.0001158200000000, -0.0000557800000000 ] - [ -0.0000107500000000, -0.0029631500000000, 0.0002259700000000 ] - [ 0.0001295000000000, -0.0009717600000000, 0.0000358000000000 ] - [ -0.0028597500000000, -0.0010413000000000, -0.0013216300000000 ] - [ 0.0004522400000000, -0.0006157900000000, -0.0001132300000000 ] - [ 0.0028360400000000, -0.0008292200000000, 0.0013067900000000 ] - [ -0.0004508600000000, -0.0004678900000000, 0.0000938300000000 ] - [ 0.0003995800000000, 0.0011702900000000, 0.0001166400000000 ] - [ -0.0001740900000000, 0.0015171200000000, 0.0009186500000000 ] - [ 0.0000560500000000, -0.0005219300000000, 0.0004678100000000 ] - [ 0.0004571500000000, -0.0008273000000000, 0.0004009700000000 ] - [ -0.0019117600000000, -0.0028361300000000, -0.0106600300000000 ] - [ 0.0000384100000000, 0.0004241000000000, -0.0002099800000000 ] - [ 0.0011089500000000, -0.0022828600000000, 0.0066327000000000 ] - [ 0.0000075700000000, 0.0003961300000000, -0.0001021900000000 ] - [ 0.0064827200000000, 0.0055392700000000, 0.0061923000000000 ] - [ -0.0003309900000000, 0.0005957000000000, 0.0001121900000000 ] - [ -0.0044222100000000, -0.0012796200000000, -0.0057732800000000 ] - [ 0.0002483900000000, 0.0001394700000000, -0.0003006000000000 ] - [ -0.0007917200000000, -0.0022885600000000, 0.0000249000000000 ] - [ -0.0000769000000000, -0.0015001400000000, 0.0001280300000000 ] - [ 0.0001385400000000, 0.0033348800000000, 0.0000151300000000 ] - [ -0.0003137900000000, 0.0024167000000000, -0.0000576700000000 ] - [ 0.0108865200000000, -0.5782383300000000, 0.0019334800000000 ] - [ -0.0003452200000000, -0.0006219500000000, 0.0006779500000000 ] - [ -0.0003056100000000, 0.0188317900000000, -0.0013354600000000 ] - [ -0.0003026000000000, 0.0003873400000000, 0.0006478000000000 ] - [ 0.0018007600000000, 0.0004680600000000, 0.0001673600000000 ] - [ -0.0092579000000000, -0.0011681500000000, 0.0027850400000000 ] - [ -0.0015931200000000, 0.0004533800000000, -0.0008781600000000 ] - [ 0.0104021900000000, -0.0012014400000000, -0.0037214200000000 ] - [ 0.0014535300000000, -0.0003458300000000, 0.0006608500000000 ] - [ -0.0009322300000000, -0.0001102800000000, 0.0009587300000000 ] - [ -0.0019649500000000, -0.0009245000000000, -0.0002316800000000 ] - [ 0.0008465900000000, -0.0010480700000000, -0.0003726100000000 ] - [ -0.0039621600000000, -0.0073776100000000, 0.0006816100000000 ] - [ -0.0001084200000000, -0.0008253700000000, -0.0002778700000000 ] - [ 0.0000447700000000, 0.0036980000000000, -0.0002354100000000 ] - [ -0.0000161400000000, -0.0003184200000000, -0.0002245200000000 ] - [ -0.0118263600000000, 0.0325181800000000, 0.0205822800000000 ] - [ 0.0004442500000000, -0.0000401000000000, -0.0000930200000000 ] - [ 0.0099514600000000, 0.0324008900000000, -0.0137040100000000 ] - [ -0.0002554700000000, 0.0000021700000000, -0.0000914500000000 ] - [ -0.0003066700000000, -0.0019730100000000, 0.0000572500000000 ] - [ -0.0021942000000000, -0.0024238100000000, -0.0008956800000000 ] - [ -0.0001551000000000, 0.0015792500000000, 0.0000803900000000 ] - [ -0.0002233900000000, 0.0030080000000000, -0.0000493300000000 ] - [ 0.0058365000000000, 0.0041719100000000, -0.0035435700000000 ] - [ -0.0005024700000000, 0.0001261900000000, -0.0002114700000000 ] - [ -0.0058917500000000, 0.0034978000000000, 0.0031262200000000 ] - [ 0.0001694900000000, -0.0000315100000000, 0.0000775100000000 ] - [ 0.0002494800000000, -0.0075521800000000, 0.0009595900000000 ] - [ -0.0000579200000000, -0.0003528800000000, 0.0000806100000000 ] - [ 0.0000146900000000, 0.0027098600000000, 0.0001503300000000 ] - [ 0.0000631500000000, 0.0005393300000000, 0.0000468000000000 ] - [ -0.0000569600000000, -0.0004073800000000, -0.0004912400000000 ] - [ 0.0009901900000000, -0.0037145500000000, -0.0002219400000000 ] - [ 0.0000045900000000, 0.0002796700000000, -0.0004943800000000 ] - [ 0.0001671800000000, 0.0023921200000000, -0.0004328700000000 ] - [ -0.0042175000000000, 0.0027481800000000, -0.0041206300000000 ] - [ 0.0001253600000000, -0.0000783700000000, 0.0004305900000000 ] - [ 0.0041308100000000, 0.0036214500000000, 0.0042322800000000 ] - [ -0.0003642100000000, -0.0000452900000000, 0.0005481900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021813500000000, -0.0622063600000000, -0.0360059600000000 ] - [ -0.0000686400000000, -0.0003077000000000, -0.0000278800000000 ] - [ 0.0002174900000000, 0.0043046600000000, -0.0001591600000000 ] - [ -0.0000296300000000, 0.0000019200000000, -0.0000001300000000 ] - [ 0.0003727100000000, -0.0002270800000000, 0.0004376600000000 ] - [ -0.0018884000000000, -0.0004848200000000, 0.0022268200000000 ] - [ -0.0005908300000000, 0.0000295400000000, -0.0000870400000000 ] - [ 0.0021052800000000, -0.0000723000000000, -0.0018873800000000 ] - [ 0.0861082500000000, -0.1878128900000000, 0.0798723900000000 ] - [ 0.0002502700000000, 0.0000983000000000, 0.0006572100000000 ] - [ -0.0006954000000000, 0.0149910300000000, -0.0021065200000000 ] - [ 0.0001587200000000, 0.0006622200000000, 0.0005263600000000 ] - [ 0.0015437800000000, -0.0003067800000000, 0.0000994900000000 ] - [ -0.0021327200000000, -0.0018491900000000, -0.0010935500000000 ] - [ -0.0014081000000000, 0.0013449200000000, -0.0009870900000000 ] - [ 0.0024366300000000, 0.0024094200000000, -0.0002223700000000 ] - [ -0.1080782000000000, -0.2329080500000000, -0.0439639600000000 ] - [ 0.0005915900000000, -0.0002382100000000, -0.0001556100000000 ] - [ 0.0019324600000000, 0.0145996900000000, 0.0018525500000000 ] - [ 0.0007573600000000, 0.0003484500000000, -0.0000695100000000 ] - [ 0.0002533400000000, 0.0009009100000000, 0.0005161500000000 ] - [ -0.0035818500000000, 0.0023479600000000, 0.0001181600000000 ] - [ -0.0024726600000000, -0.0004544300000000, -0.0002378800000000 ] - [ 0.0006257400000000, -0.0034246400000000, 0.0008229000000000 ] - [ 0.0144265100000000, -0.0518262500000000, -0.0065358200000000 ] - [ -0.0006415600000000, -0.0003280200000000, -0.0002002400000000 ] - [ -0.0005110000000000, 0.0040833500000000, -0.0002656300000000 ] - [ -0.0006424500000000, 0.0003175600000000, -0.0001837500000000 ] - [ 0.0014422300000000, 0.0001764500000000, 0.0001113400000000 ] - [ -0.0104539600000000, 0.0008847100000000, 0.0023868300000000 ] - [ -0.0005587900000000, 0.0000683100000000, 0.0004343200000000 ] - [ 0.0120342500000000, 0.0001407700000000, -0.0013679600000000 ] - [ 0.0006113800000000, -0.0039667000000000, 0.0025377800000000 ] - [ -0.0001783800000000, -0.0000968200000000, 0.0003624200000000 ] - [ -0.0009050300000000, 0.0020487600000000, -0.0011627100000000 ] - [ -0.0000679700000000, 0.0000815400000000, 0.0002320300000000 ] - [ -0.0002467600000000, -0.0011154800000000, -0.0008184000000000 ] - [ 0.0002352300000000, -0.0008727300000000, -0.0008067200000000 ] - [ 0.0002807900000000, 0.0011584100000000, 0.0001959700000000 ] - [ -0.0001025700000000, 0.0008719500000000, 0.0000534900000000 ] - [ -0.0017021900000000, -0.0016713400000000, -0.0015384500000000 ] - [ -0.0009609800000000, 0.0000053900000000, -0.0001498800000000 ] - [ -0.0000938300000000, 0.0038258300000000, 0.0016793400000000 ] - [ -0.0010620300000000, 0.0004558100000000, 0.0000023000000000 ] - [ 0.0011454400000000, -0.0016888700000000, 0.0000649900000000 ] - [ 0.0003052600000000, -0.0010224100000000, 0.0001650900000000 ] - [ 0.0004684700000000, 0.0021064000000000, 0.0000589300000000 ] - [ 0.0016354800000000, 0.0014993900000000, -0.0000686300000000 ] - [ -0.0014973000000000, -0.0032056300000000, -0.0001428200000000 ] - [ 0.0000183500000000, -0.0009597800000000, -0.0000047800000000 ] - [ 0.0001942200000000, 0.0018857500000000, -0.0002897700000000 ] - [ 0.0000365800000000, -0.0001048900000000, -0.0000956600000000 ] - [ 0.0026974000000000, -0.0000414800000000, 0.0013790400000000 ] - [ -0.0006309600000000, -0.0004606100000000, 0.0001746800000000 ] - [ -0.0029967200000000, -0.0002320300000000, -0.0012557500000000 ] - [ 0.0002717700000000, -0.0006055900000000, -0.0000338800000000 ] - [ -0.0002562900000000, -0.0003864600000000, 0.0002380000000000 ] - [ 0.0003499100000000, -0.0007315000000000, -0.0005370300000000 ] - [ 0.0000978900000000, 0.0013007100000000, -0.0001109100000000 ] - [ -0.0003132400000000, 0.0016099800000000, -0.0000469700000000 ] - [ 0.0017857700000000, 0.0036137500000000, 0.0103127200000000 ] - [ -0.0001923600000000, 0.0003577100000000, -0.0001486200000000 ] - [ -0.0012412500000000, 0.0030929400000000, -0.0069882400000000 ] - [ -0.0001625700000000, 0.0003869000000000, -0.0002604700000000 ] - [ -0.0062897400000000, -0.0047991500000000, -0.0063973500000000 ] - [ 0.0005625200000000, 0.0001412300000000, -0.0003105500000000 ] - [ 0.0046221800000000, 0.0019592100000000, 0.0055926700000000 ] - [ -0.0000176100000000, 0.0005914100000000, 0.0001017600000000 ] - [ 0.0005783600000000, 0.0030281300000000, 0.0001752600000000 ] - [ -0.0001606900000000, 0.0022501500000000, 0.0000598800000000 ] - [ -0.0003720100000000, -0.0026012800000000, 0.0001891200000000 ] - [ 0.0001016400000000, -0.0016819500000000, 0.0002613200000000 ] - [ 0.0053322700000000, 0.5827155100000000, 0.0099020300000000 ] - [ -0.0000014700000000, 0.0003580700000000, 0.0006584600000000 ] - [ -0.0000161600000000, -0.0190783700000000, 0.0027035100000000 ] - [ -0.0000479300000000, -0.0006497200000000, 0.0006863000000000 ] - [ -0.0014401900000000, -0.0007188200000000, -0.0015059200000000 ] - [ 0.0096932100000000, 0.0009407800000000, -0.0041485900000000 ] - [ 0.0019538800000000, -0.0007331600000000, -0.0004622700000000 ] - [ -0.0099563000000000, 0.0009083000000000, 0.0023536300000000 ] - [ -0.0014827100000000, -0.0007833500000000, -0.0001568800000000 ] - [ 0.0009082300000000, -0.0010213400000000, -0.0004588100000000 ] - [ 0.0019388100000000, -0.0002212400000000, 0.0007370600000000 ] - [ -0.0008697700000000, -0.0000980700000000, 0.0008729200000000 ] - [ 0.0039818000000000, 0.0062452300000000, -0.0012046800000000 ] - [ 0.0001370100000000, -0.0003145600000000, -0.0002276500000000 ] - [ -0.0000276200000000, -0.0048380600000000, -0.0002551600000000 ] - [ 0.0000490800000000, -0.0008211100000000, -0.0002787300000000 ] - [ 0.0122095600000000, -0.0328066900000000, -0.0210160000000000 ] - [ -0.0000705400000000, 0.0000137900000000, -0.0000898800000000 ] - [ -0.0095660100000000, -0.0322028200000000, 0.0132984700000000 ] - [ 0.0006285400000000, -0.0000310300000000, -0.0000912600000000 ] - [ -0.0000557600000000, 0.0019461000000000, 0.0001257100000000 ] - [ 0.0018192100000000, 0.0023935800000000, 0.0010987500000000 ] - [ -0.0002146100000000, -0.0016032900000000, 0.0001016600000000 ] - [ -0.0001342200000000, -0.0030331000000000, 0.0002363600000000 ] - [ -0.0060388900000000, -0.0040433900000000, 0.0034836400000000 ] - [ 0.0003275800000000, 0.0000056100000000, 0.0001519000000000 ] - [ 0.0056811500000000, -0.0033704800000000, -0.0031821200000000 ] - [ -0.0003447700000000, 0.0001580700000000, -0.0001369000000000 ] - [ -0.0000597200000000, 0.0076867100000000, -0.0008914500000000 ] - [ 0.0002360400000000, 0.0004830200000000, -0.0000206000000000 ] - [ 0.0001557900000000, -0.0025809300000000, -0.0000948800000000 ] - [ 0.0001187700000000, -0.0004096900000000, 0.0000125600000000 ] - [ 0.0001755600000000, 0.0002825500000000, -0.0005147200000000 ] - [ -0.0008922500000000, 0.0035905000000000, -0.0007844600000000 ] - [ 0.0001118100000000, -0.0004039800000000, -0.0005113300000000 ] - [ -0.0000523600000000, -0.0025168300000000, -0.0005787200000000 ] - [ 0.0041367300000000, -0.0028896700000000, 0.0051673300000000 ] - [ -0.0002379600000000, -0.0000447100000000, 0.0005746200000000 ] - [ -0.0042059500000000, -0.0037227100000000, -0.0031852100000000 ] - [ 0.0002509400000000, -0.0000807700000000, 0.0004574100000000 ]- atom: 73 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0042430300000000, 0.0378941600000000, 0.3108928400000000 ] - [ 0.0003554500000000, -0.0001277300000000, 0.0002472100000000 ] - [ 0.0005264500000000, 0.0004940300000000, 0.0035450900000000 ] - [ 0.0002196200000000, -0.0001094400000000, 0.0001798500000000 ] - [ 0.0001899100000000, -0.0001951800000000, -0.0007890100000000 ] - [ 0.0004532900000000, -0.0006172600000000, -0.0020492900000000 ] - [ 0.0001861100000000, -0.0001510200000000, -0.0007526700000000 ] - [ 0.0006362000000000, 0.0005361800000000, -0.0023472800000000 ] - [ 0.0508770600000000, -0.0811317900000000, 0.1050712400000000 ] - [ 0.0007227200000000, 0.0003534100000000, 0.0007062900000000 ] - [ -0.0001776200000000, -0.0001432800000000, 0.0007898200000000 ] - [ 0.0005952800000000, 0.0004093100000000, 0.0006286400000000 ] - [ -0.0007723600000000, 0.0002892300000000, -0.0001502900000000 ] - [ 0.0025009200000000, -0.0022619100000000, -0.0016754000000000 ] - [ -0.0002613700000000, 0.0006323900000000, -0.0004254400000000 ] - [ 0.0013380800000000, 0.0022437300000000, 0.0000926700000000 ] - [ 0.0244787800000000, 0.0458513200000000, 0.0695396200000000 ] - [ 0.0011897900000000, 0.0000813900000000, -0.0000377700000000 ] - [ 0.0004988500000000, 0.0054883400000000, 0.0026048800000000 ] - [ 0.0010587800000000, 0.0000622500000000, -0.0000759200000000 ] - [ -0.0007433700000000, -0.0000128200000000, 0.0000634000000000 ] - [ 0.0002707700000000, -0.0014945900000000, 0.0001660700000000 ] - [ -0.0017000700000000, 0.0003043000000000, 0.0004880500000000 ] - [ 0.0019787600000000, 0.0019958700000000, -0.0008966500000000 ] - [ -0.0869400000000000, 0.0055105400000000, 0.0873700300000000 ] - [ 0.0002032100000000, -0.0000209500000000, -0.0001310100000000 ] - [ -0.0002380300000000, 0.0004278600000000, 0.0008671400000000 ] - [ -0.0000148600000000, 0.0000021800000000, -0.0002405500000000 ] - [ 0.0005915200000000, -0.0000212300000000, 0.0001290300000000 ] - [ 0.0026745100000000, -0.0030363900000000, -0.0001396500000000 ] - [ 0.0004112400000000, 0.0001236300000000, 0.0001923600000000 ] - [ 0.0056105000000000, 0.0038688500000000, 0.0001330800000000 ] - [ 0.0019120700000000, 0.0106672800000000, -0.0099565000000000 ] - [ 0.0001975800000000, 0.0001398900000000, 0.0001336300000000 ] - [ 0.0006103300000000, -0.0028936500000000, -0.0026552000000000 ] - [ 0.0001849400000000, 0.0001083500000000, 0.0001368700000000 ] - [ 0.0017342000000000, -0.0009524200000000, -0.0031500100000000 ] - [ 0.0003000300000000, -0.0001132700000000, -0.0006505300000000 ] - [ 0.0002158500000000, 0.0003159500000000, -0.0002620700000000 ] - [ -0.0000177200000000, -0.0002862500000000, -0.0007493600000000 ] - [ 0.0000723600000000, -0.0071433600000000, -0.0110133700000000 ] - [ -0.0006511200000000, 0.0000615300000000, -0.0002389100000000 ] - [ -0.0015887800000000, 0.0023309600000000, -0.0024613600000000 ] - [ -0.0007048600000000, 0.0001075100000000, -0.0001961900000000 ] - [ 0.0029641500000000, 0.0023603100000000, -0.0011081600000000 ] - [ 0.0001281900000000, -0.0000044800000000, -0.0004380900000000 ] - [ 0.0010383700000000, -0.0000554300000000, 0.0002859000000000 ] - [ -0.0000930800000000, -0.0001875900000000, -0.0005755600000000 ] - [ 0.0141039100000000, 0.0002705300000000, -0.0025880300000000 ] - [ -0.0005329700000000, -0.0006283700000000, -0.0000922200000000 ] - [ 0.0005904700000000, -0.0006592500000000, 0.0003768000000000 ] - [ -0.0001851000000000, -0.0007041900000000, 0.0001106300000000 ] - [ 0.0010501800000000, -0.0003526400000000, -0.0033911400000000 ] - [ 0.0003648900000000, -0.0006173400000000, -0.0003156900000000 ] - [ 0.0011062700000000, -0.0017581700000000, -0.0026251900000000 ] - [ 0.0004027900000000, -0.0005190100000000, -0.0003305800000000 ] - [ 0.0036181100000000, -0.0002499100000000, 0.0012699700000000 ] - [ -0.0014455600000000, 0.0010477000000000, 0.0048548900000000 ] - [ 0.0003611600000000, 0.0003179100000000, 0.0004919100000000 ] - [ -0.0007849500000000, 0.0006507100000000, 0.0006933900000000 ] - [ -0.0029399300000000, -0.0010190000000000, -0.0059519500000000 ] - [ 0.0002899700000000, 0.0004488100000000, -0.0000935900000000 ] - [ -0.0028191000000000, -0.0007726000000000, -0.0068129100000000 ] - [ 0.0002618600000000, 0.0004152300000000, -0.0000934900000000 ] - [ 0.0020394700000000, -0.0032450200000000, 0.0134027400000000 ] - [ -0.0006201500000000, 0.0003650000000000, 0.0001182300000000 ] - [ 0.0004966600000000, 0.0098193400000000, 0.0095403800000000 ] - [ -0.0006314500000000, 0.0004264700000000, 0.0001315600000000 ] - [ -0.0095868700000000, -0.0004924900000000, 0.0047051200000000 ] - [ 0.0012552300000000, 0.0011163600000000, 0.0017453700000000 ] - [ -0.0006092100000000, 0.0004915800000000, -0.0002328700000000 ] - [ 0.0007006700000000, 0.0011400300000000, 0.0005546100000000 ] - [ 0.0135652400000000, -0.0076116800000000, -0.6079120700000000 ] - [ -0.0011141000000000, -0.0001154300000000, 0.0003742900000000 ] - [ -0.0022988000000000, -0.0021493600000000, -0.0041490600000000 ] - [ -0.0007730700000000, -0.0001443900000000, 0.0004882200000000 ] - [ 0.0002259600000000, 0.0000736400000000, 0.0000359500000000 ] - [ -0.0018286200000000, 0.0029608100000000, 0.0024059900000000 ] - [ 0.0004762400000000, -0.0009546500000000, 0.0000370400000000 ] - [ -0.0035695400000000, -0.0036384800000000, 0.0023924800000000 ] - [ -0.0005852900000000, -0.0012821300000000, 0.0013530600000000 ] - [ -0.0003055000000000, -0.0004517400000000, 0.0014971700000000 ] - [ -0.0003907700000000, 0.0003120900000000, 0.0011110600000000 ] - [ -0.0002772200000000, -0.0007735000000000, 0.0016727700000000 ] - [ -0.0221889600000000, -0.0076063200000000, 0.0349075000000000 ] - [ -0.0002008400000000, -0.0005846300000000, -0.0001477400000000 ] - [ -0.0002475900000000, 0.0001979300000000, -0.0016193000000000 ] - [ -0.0001139700000000, -0.0005917300000000, -0.0001903900000000 ] - [ 0.0013586200000000, 0.0127415200000000, 0.0058383600000000 ] - [ -0.0002004800000000, -0.0000335900000000, -0.0001020600000000 ] - [ -0.0034058200000000, -0.0185195700000000, 0.0073277200000000 ] - [ -0.0001445200000000, -0.0000027500000000, -0.0001014500000000 ] - [ -0.0003484000000000, 0.0000128000000000, -0.0017372800000000 ] - [ -0.0103655700000000, -0.0012023000000000, -0.0059072600000000 ] - [ -0.0003547700000000, -0.0000818500000000, -0.0002016000000000 ] - [ -0.0000124100000000, -0.0001043100000000, -0.0017578500000000 ] - [ -0.0007505100000000, -0.0015956900000000, -0.0021937000000000 ] - [ -0.0004505000000000, 0.0001990100000000, -0.0004670200000000 ] - [ -0.0015721100000000, 0.0025690000000000, -0.0038439700000000 ] - [ -0.0004115100000000, -0.0000224100000000, -0.0004972100000000 ] - [ 0.0067279600000000, 0.0012649500000000, 0.0057218700000000 ] - [ -0.0006737200000000, 0.0001002800000000, 0.0004127000000000 ] - [ 0.0005180200000000, -0.0002464100000000, 0.0007704400000000 ] - [ -0.0003180800000000, 0.0000366400000000, 0.0002308800000000 ] - [ -0.0002772800000000, -0.0000526600000000, -0.0002253900000000 ] - [ -0.0019906400000000, -0.0000951300000000, 0.0082066200000000 ] - [ -0.0001877300000000, -0.0000855800000000, -0.0004134800000000 ] - [ 0.0004630800000000, -0.0002044800000000, 0.0005574800000000 ] - [ 0.0042044400000000, -0.0059271000000000, -0.0008190400000000 ] - [ -0.0005074100000000, -0.0002545700000000, 0.0003602800000000 ] - [ 0.0050276700000000, 0.0065284000000000, -0.0003955700000000 ] - [ -0.0004535300000000, 0.0001430100000000, 0.0004141600000000 ]- atom: 73 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0036672400000000, -0.0344999500000000, -0.2891005600000000 ] - [ -0.0003393000000000, -0.0001590100000000, -0.0000230900000000 ] - [ -0.0005096500000000, -0.0007765200000000, -0.0033096800000000 ] - [ -0.0002036300000000, -0.0001772900000000, 0.0000438600000000 ] - [ -0.0002030300000000, -0.0000897000000000, 0.0005612900000000 ] - [ -0.0004744800000000, 0.0003355000000000, 0.0018140700000000 ] - [ -0.0002013800000000, -0.0001358200000000, 0.0005281600000000 ] - [ -0.0006543600000000, -0.0008231800000000, 0.0021149100000000 ] - [ -0.0520826600000000, 0.0847294400000000, -0.1043602200000000 ] - [ -0.0001636400000000, 0.0005681900000000, 0.0003882000000000 ] - [ 0.0007338200000000, 0.0010588400000000, 0.0002948300000000 ] - [ -0.0000364800000000, 0.0005128600000000, 0.0004656500000000 ] - [ 0.0002149800000000, 0.0006352500000000, -0.0009468600000000 ] - [ -0.0030326300000000, 0.0031563900000000, 0.0005674900000000 ] - [ -0.0003001700000000, 0.0002900200000000, -0.0006715100000000 ] - [ -0.0018942300000000, -0.0013161000000000, -0.0011857800000000 ] - [ -0.0227694300000000, -0.0453460700000000, -0.0690182300000000 ] - [ 0.0003158100000000, -0.0001465400000000, -0.0002596400000000 ] - [ 0.0010023900000000, -0.0055233900000000, -0.0028955800000000 ] - [ 0.0004465500000000, -0.0001278800000000, -0.0002215500000000 ] - [ -0.0007609300000000, -0.0000524800000000, 0.0002329800000000 ] - [ -0.0017709300000000, 0.0014204200000000, 0.0001296300000000 ] - [ 0.0001973700000000, -0.0003766400000000, -0.0001937500000000 ] - [ -0.0034620000000000, -0.0020426000000000, 0.0011803700000000 ] - [ 0.0876727000000000, -0.0056235800000000, -0.0873108800000000 ] - [ -0.0010286700000000, 0.0000034800000000, -0.0003412700000000 ] - [ -0.0005844900000000, -0.0004440000000000, -0.0013394900000000 ] - [ -0.0008113000000000, -0.0000196600000000, -0.0002313300000000 ] - [ 0.0002371100000000, 0.0000041900000000, 0.0003421700000000 ] - [ -0.0018387300000000, 0.0030056600000000, 0.0005964400000000 ] - [ 0.0004159100000000, -0.0001408300000000, 0.0002788800000000 ] - [ -0.0047799100000000, -0.0038776000000000, 0.0003259400000000 ] - [ -0.0020059500000000, -0.0105653500000000, 0.0104432900000000 ] - [ -0.0002965700000000, -0.0000476800000000, 0.0003746600000000 ] - [ -0.0007073600000000, 0.0029782400000000, 0.0031714600000000 ] - [ -0.0002840400000000, -0.0000161900000000, 0.0003717800000000 ] - [ -0.0016290000000000, 0.0010440400000000, 0.0026456000000000 ] - [ -0.0002052700000000, 0.0002064600000000, 0.0001510200000000 ] - [ -0.0001151500000000, -0.0002195200000000, -0.0002423500000000 ] - [ 0.0001171600000000, 0.0003794900000000, 0.0002423600000000 ] - [ -0.0019273700000000, 0.0074422500000000, 0.0108542000000000 ] - [ -0.0012082400000000, 0.0002483800000000, 0.0000267000000000 ] - [ -0.0002682700000000, -0.0020081200000000, 0.0022566500000000 ] - [ -0.0011547400000000, 0.0002020100000000, -0.0000165800000000 ] - [ -0.0011006700000000, -0.0020488100000000, 0.0013211900000000 ] - [ 0.0017306300000000, 0.0003152400000000, 0.0006514400000000 ] - [ 0.0008203600000000, 0.0003657300000000, -0.0000716400000000 ] - [ 0.0019531900000000, 0.0004961300000000, 0.0007877500000000 ] - [ -0.0137880200000000, -0.0013381100000000, 0.0025144700000000 ] - [ 0.0008155600000000, -0.0004404000000000, 0.0000343100000000 ] - [ -0.0003039700000000, -0.0004087100000000, -0.0004330400000000 ] - [ 0.0004704200000000, -0.0003652400000000, -0.0001696700000000 ] - [ -0.0013223300000000, -0.0007085200000000, 0.0034514000000000 ] - [ -0.0006474700000000, -0.0004521100000000, 0.0003742200000000 ] - [ -0.0013876300000000, 0.0006841100000000, 0.0026856600000000 ] - [ -0.0006859100000000, -0.0005507700000000, 0.0003890700000000 ] - [ -0.0035263600000000, 0.0010489800000000, -0.0009991300000000 ] - [ 0.0015335300000000, -0.0002390300000000, -0.0045615800000000 ] - [ -0.0002718700000000, 0.0004812400000000, -0.0002220100000000 ] - [ 0.0008742900000000, 0.0001494800000000, -0.0004216400000000 ] - [ 0.0028621800000000, 0.0018467800000000, 0.0056903000000000 ] - [ -0.0003771700000000, 0.0003523600000000, -0.0001752600000000 ] - [ 0.0027396600000000, 0.0015678900000000, 0.0065463500000000 ] - [ -0.0003508100000000, 0.0003848400000000, -0.0001763800000000 ] - [ -0.0018555200000000, 0.0039430100000000, -0.0135945000000000 ] - [ 0.0008269700000000, 0.0003706900000000, -0.0003162800000000 ] - [ -0.0003029400000000, -0.0090566400000000, -0.0097466100000000 ] - [ 0.0008385900000000, 0.0003103200000000, -0.0003305100000000 ] - [ 0.0093430200000000, 0.0012229000000000, -0.0044986500000000 ] - [ -0.0014584000000000, -0.0003857800000000, -0.0015468300000000 ] - [ 0.0004025300000000, 0.0002431600000000, 0.0004264400000000 ] - [ -0.0009097200000000, -0.0004020700000000, -0.0003577000000000 ] - [ -0.0145036200000000, 0.0004650900000000, 0.5863987800000000 ] - [ 0.0007653000000000, -0.0001478800000000, 0.0009532000000000 ] - [ 0.0019430500000000, 0.0018767400000000, 0.0054694300000000 ] - [ 0.0004254900000000, -0.0001185500000000, 0.0008390500000000 ] - [ 0.0001185400000000, -0.0003399200000000, -0.0013593700000000 ] - [ 0.0021844500000000, -0.0032118600000000, -0.0037096100000000 ] - [ -0.0001286700000000, 0.0006940700000000, -0.0013609100000000 ] - [ 0.0039280100000000, 0.0033637300000000, -0.0037083100000000 ] - [ 0.0005479500000000, 0.0001408700000000, -0.0008461100000000 ] - [ 0.0002787200000000, -0.0006868600000000, -0.0009886800000000 ] - [ 0.0003585400000000, -0.0014447500000000, -0.0006038600000000 ] - [ 0.0002506000000000, -0.0003608700000000, -0.0011641300000000 ] - [ 0.0221140800000000, 0.0064810400000000, -0.0351447200000000 ] - [ 0.0002287800000000, -0.0005559900000000, -0.0003611300000000 ] - [ 0.0002740100000000, -0.0013402200000000, 0.0010984700000000 ] - [ 0.0001406700000000, -0.0005489600000000, -0.0003182500000000 ] - [ -0.0009289400000000, -0.0128451000000000, -0.0059576300000000 ] - [ 0.0005808100000000, 0.0000070600000000, -0.0000753500000000 ] - [ 0.0037991000000000, 0.0185875400000000, -0.0074552200000000 ] - [ 0.0005257500000000, -0.0000230500000000, -0.0000761300000000 ] - [ -0.0000338800000000, -0.0000361400000000, 0.0019119400000000 ] - [ 0.0099810900000000, 0.0011758000000000, 0.0060773800000000 ] - [ -0.0000271200000000, 0.0000563500000000, 0.0003787000000000 ] - [ -0.0003704800000000, 0.0000800400000000, 0.0019321700000000 ] - [ 0.0005665900000000, 0.0017181900000000, 0.0021384800000000 ] - [ 0.0002710200000000, -0.0000703200000000, 0.0004124300000000 ] - [ 0.0013907700000000, -0.0024344500000000, 0.0037867900000000 ] - [ 0.0002324300000000, 0.0001506100000000, 0.0004429300000000 ] - [ -0.0066206900000000, -0.0011363900000000, -0.0056842500000000 ] - [ 0.0008498800000000, 0.0000277800000000, -0.0003576800000000 ] - [ -0.0003399200000000, 0.0003724900000000, -0.0007127000000000 ] - [ 0.0004948400000000, 0.0000917200000000, -0.0001773200000000 ] - [ 0.0003899400000000, -0.0000699000000000, -0.0007793100000000 ] - [ 0.0021565300000000, -0.0000245800000000, -0.0092735200000000 ] - [ 0.0003017100000000, -0.0000373000000000, -0.0005915900000000 ] - [ -0.0003442200000000, 0.0000808000000000, -0.0015606300000000 ] - [ -0.0043011600000000, 0.0057792900000000, 0.0018148400000000 ] - [ 0.0003913800000000, 0.0001313300000000, 0.0006442400000000 ] - [ -0.0051342200000000, -0.0066346000000000, 0.0013912500000000 ] - [ 0.0003382500000000, -0.0002649500000000, 0.0005909500000000 ]- atom: 81 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0002159200000000, -0.0010386200000000, 0.0005833900000000 ] - [ -0.0006297200000000, 0.0001570800000000, 0.0003020000000000 ] - [ -0.0002600400000000, 0.0005598900000000, 0.0008112400000000 ] - [ -0.0007037200000000, -0.0005632700000000, 0.0001902400000000 ] - [ 0.0337030100000000, -0.0118538800000000, -0.0281161100000000 ] - [ -0.0013730900000000, -0.0001271900000000, 0.0003142600000000 ] - [ 0.0008677800000000, -0.0002868400000000, 0.0000089300000000 ] - [ -0.0007769700000000, -0.0000544700000000, 0.0002492000000000 ] - [ 0.0003995600000000, -0.0002758200000000, 0.0006686600000000 ] - [ -0.0004602600000000, 0.0008407900000000, 0.0004431900000000 ] - [ -0.0000164100000000, 0.0016747100000000, -0.0005823200000000 ] - [ -0.0006082600000000, -0.0001121600000000, 0.0008056600000000 ] - [ 0.0036650300000000, 0.0036002200000000, 0.0057777100000000 ] - [ -0.0014858200000000, -0.0000084400000000, -0.0008140200000000 ] - [ 0.0009050900000000, -0.0000092200000000, -0.0007687700000000 ] - [ -0.0011454500000000, 0.0003463200000000, -0.0006749000000000 ] - [ 0.0006356100000000, -0.0010784100000000, -0.0009450400000000 ] - [ -0.0001388500000000, 0.0005027300000000, 0.0000993400000000 ] - [ 0.0009718800000000, 0.0009552700000000, -0.0000807900000000 ] - [ 0.0000224100000000, -0.0004951500000000, -0.0001828100000000 ] - [ 0.0031723700000000, -0.0044402000000000, 0.0047821900000000 ] - [ -0.0019923300000000, 0.0004741100000000, 0.0000385000000000 ] - [ 0.0005355800000000, 0.0002659300000000, -0.0001113800000000 ] - [ -0.0016343900000000, 0.0001862800000000, 0.0001008800000000 ] - [ -0.0015432800000000, -0.0003147200000000, -0.0001949200000000 ] - [ -0.0014362600000000, 0.0006699200000000, 0.0003393300000000 ] - [ -0.0016487200000000, 0.0004097400000000, -0.0001014500000000 ] - [ -0.0013451400000000, -0.0005997100000000, 0.0002791400000000 ] - [ -0.0022601200000000, -0.0009710300000000, 0.0048787000000000 ] - [ -0.0018930800000000, -0.0000243100000000, 0.0001698400000000 ] - [ 0.0012938600000000, 0.0000473400000000, 0.0001072300000000 ] - [ -0.0006589900000000, -0.0000371500000000, 0.0004149700000000 ] - [ -0.0059284500000000, -0.0039121700000000, 0.0076115000000000 ] - [ -0.0013099700000000, 0.0002222100000000, 0.0000528900000000 ] - [ 0.0005879300000000, 0.0005632900000000, 0.0003578100000000 ] - [ -0.0007066700000000, -0.0000206000000000, 0.0002673200000000 ] - [ 0.0022453600000000, 0.0021559100000000, 0.0003039600000000 ] - [ -0.0008151100000000, -0.0000933600000000, -0.0002331800000000 ] - [ 0.0069827600000000, 0.0076745800000000, -0.0005418800000000 ] - [ -0.0009528400000000, 0.0000128900000000, -0.0001967900000000 ] - [ -0.0004041100000000, -0.0012521700000000, -0.0002491200000000 ] - [ -0.0018500900000000, 0.0005864300000000, -0.0001837800000000 ] - [ -0.0069629400000000, 0.0076816300000000, 0.0037590400000000 ] - [ -0.0022181300000000, -0.0000750300000000, -0.0003624500000000 ] - [ 0.0092316400000000, -0.0090110100000000, 0.0130858500000000 ] - [ -0.0000938500000000, 0.0000245200000000, 0.0000694600000000 ] - [ 0.0017327700000000, -0.0011599300000000, -0.0006785600000000 ] - [ 0.0001586800000000, 0.0002596300000000, 0.0000622200000000 ] - [ 0.0065989700000000, 0.0008942000000000, -0.0006775000000000 ] - [ -0.0018194600000000, -0.0005961200000000, 0.0002077100000000 ] - [ 0.0057551200000000, 0.0004747800000000, -0.0012943700000000 ] - [ -0.0018416700000000, -0.0006322400000000, 0.0001861500000000 ] - [ 0.0578739500000000, 0.0063776300000000, 0.0261858700000000 ] - [ -0.0027262000000000, -0.0005185400000000, 0.0002243900000000 ] - [ 0.0022922300000000, -0.0006348300000000, 0.0000394200000000 ] - [ -0.0017464800000000, -0.0004258700000000, 0.0002022400000000 ] - [ 0.0010200100000000, 0.0015729800000000, 0.0005207900000000 ] - [ -0.0010527300000000, 0.0004813400000000, -0.0002940900000000 ] - [ 0.0019833300000000, -0.0012957000000000, 0.0000322800000000 ] - [ -0.0011868600000000, 0.0007618800000000, -0.0003249100000000 ] - [ -0.0102253100000000, -0.0011212800000000, -0.0030113000000000 ] - [ -0.0026644300000000, 0.0000831600000000, -0.0008087800000000 ] - [ 0.0002524900000000, 0.0004999200000000, -0.0003303700000000 ] - [ -0.0010560800000000, 0.0000795500000000, -0.0004770000000000 ] - [ 0.0369037100000000, -0.0031806600000000, -0.0110324200000000 ] - [ 0.0040319400000000, 0.0008992100000000, 0.0006107200000000 ] - [ -0.0020222100000000, 0.0012668400000000, 0.0008892800000000 ] - [ 0.0022403000000000, 0.0000504400000000, -0.0001342700000000 ] - [ -0.0062100100000000, -0.0054649300000000, 0.0005536000000000 ] - [ 0.0023465100000000, 0.0005299900000000, -0.0000608700000000 ] - [ -0.0065613100000000, 0.0026594900000000, 0.0048378600000000 ] - [ 0.0024204900000000, 0.0001173800000000, 0.0000138400000000 ] - [ 0.0006886500000000, 0.0013380800000000, 0.0001004200000000 ] - [ 0.0014317900000000, -0.0010524200000000, 0.0003803800000000 ] - [ 0.0007850500000000, -0.0020867800000000, 0.0002936200000000 ] - [ 0.0013442600000000, 0.0007256800000000, 0.0004059200000000 ] - [ -0.0038240300000000, 0.0038446800000000, -0.0228838000000000 ] - [ 0.0032328400000000, -0.0000106400000000, -0.0008681000000000 ] - [ -0.0011041400000000, -0.0001706000000000, -0.0009317100000000 ] - [ 0.0018171400000000, -0.0001016100000000, -0.0007869400000000 ] - [ -0.1247983300000000, 0.0057934700000000, -0.0039436700000000 ] - [ 0.0020207300000000, -0.0006077900000000, 0.0001343600000000 ] - [ -0.0024694600000000, -0.0007642100000000, -0.0003783600000000 ] - [ 0.0013896000000000, -0.0005604300000000, 0.0002096300000000 ] - [ -0.0021267900000000, 0.0041738500000000, -0.0026846200000000 ] - [ 0.0015349800000000, -0.0009782700000000, -0.0000892600000000 ] - [ -0.0021284600000000, -0.0039936300000000, -0.0036305000000000 ] - [ 0.0015350000000000, -0.0001651300000000, -0.0000167300000000 ] - [ 0.0022120600000000, -0.0001546500000000, 0.0040584800000000 ] - [ 0.0028874600000000, -0.0000681400000000, -0.0005403900000000 ] - [ 0.0006591100000000, -0.0000750200000000, 0.0000198400000000 ] - [ 0.0004733300000000, 0.0000111300000000, -0.0001478300000000 ] - [ -0.0005482200000000, -0.0021265000000000, -0.0002929600000000 ] - [ 0.0010348000000000, 0.0002325300000000, 0.0003444500000000 ] - [ -0.0006510500000000, 0.0018060800000000, -0.0003241300000000 ] - [ 0.0010822000000000, -0.0002313200000000, 0.0003433900000000 ] - [ -0.0026754400000000, 0.0002535100000000, -0.0017178400000000 ] - [ 0.0010124900000000, 0.0000738900000000, 0.0000157400000000 ] - [ -0.0013926300000000, -0.0000086000000000, 0.0000294200000000 ] - [ 0.0007717800000000, 0.0000609200000000, -0.0000155300000000 ] - [ -0.0024073000000000, 0.0031006200000000, 0.0020993500000000 ] - [ 0.0011409000000000, -0.0000214400000000, -0.0000033900000000 ] - [ -0.0021285000000000, -0.0032497000000000, 0.0022070500000000 ] - [ 0.0011225700000000, 0.0001365100000000, -0.0000033200000000 ] - [ 0.0014372500000000, -0.0026119600000000, -0.0007782900000000 ] - [ 0.0012495100000000, 0.0007271500000000, -0.0004360100000000 ] - [ 0.0019541400000000, 0.0030268700000000, -0.0012530900000000 ] - [ 0.0014476500000000, -0.0008178400000000, -0.0002702100000000 ] - [ 0.0013688400000000, -0.0000760800000000, -0.0000929400000000 ] - [ 0.0018945100000000, -0.0001545700000000, 0.0024666100000000 ] - [ 0.0005251000000000, -0.0000990900000000, 0.0004667800000000 ] - [ -0.0000480500000000, -0.0000537300000000, 0.0005395200000000 ]- atom: 81 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0002265300000000, 0.0007251700000000, -0.0006247100000000 ] - [ 0.0006344900000000, -0.0004714300000000, -0.0003390200000000 ] - [ 0.0002718500000000, -0.0008694900000000, -0.0008501300000000 ] - [ 0.0007104000000000, 0.0002516700000000, -0.0002294300000000 ] - [ -0.0345320000000000, 0.0120085500000000, 0.0297210700000000 ] - [ 0.0013659300000000, -0.0001842600000000, -0.0002737800000000 ] - [ -0.0008784500000000, -0.0000259400000000, 0.0000367400000000 ] - [ 0.0007702900000000, -0.0002562700000000, -0.0002124600000000 ] - [ 0.0001892300000000, 0.0010046200000000, 0.0005464800000000 ] - [ 0.0010440900000000, -0.0001022600000000, 0.0007664100000000 ] - [ 0.0006048600000000, -0.0009347400000000, 0.0017898200000000 ] - [ 0.0011930700000000, 0.0008483700000000, 0.0004047300000000 ] - [ -0.0042470800000000, -0.0028665100000000, -0.0069986600000000 ] - [ 0.0009049400000000, 0.0007394500000000, -0.0003959200000000 ] - [ -0.0014916800000000, 0.0007472100000000, -0.0004394500000000 ] - [ 0.0005645600000000, 0.0003893000000000, -0.0005330900000000 ] - [ 0.0009011000000000, 0.0012176300000000, 0.0007220000000000 ] - [ 0.0016700000000000, -0.0003653100000000, -0.0003200300000000 ] - [ 0.0005632000000000, -0.0008110900000000, -0.0001388700000000 ] - [ 0.0015113400000000, 0.0006375600000000, -0.0000371600000000 ] - [ -0.0047087500000000, 0.0045808700000000, -0.0045589300000000 ] - [ 0.0004616300000000, -0.0003310400000000, 0.0001836300000000 ] - [ -0.0020693600000000, -0.0001211800000000, 0.0003320000000000 ] - [ 0.0001073000000000, -0.0000414500000000, 0.0001200300000000 ] - [ 0.0004814000000000, 0.0003090100000000, -0.0002218300000000 ] - [ 0.0003779500000000, -0.0006762300000000, -0.0007565800000000 ] - [ 0.0005910500000000, -0.0004161000000000, -0.0003146700000000 ] - [ 0.0002873800000000, 0.0005931500000000, -0.0006959000000000 ] - [ 0.0032972500000000, 0.0009558700000000, -0.0044321500000000 ] - [ 0.0029479200000000, 0.0000171600000000, 0.0002493700000000 ] - [ -0.0002404000000000, -0.0000559300000000, 0.0003130300000000 ] - [ 0.0017157800000000, 0.0000291900000000, 0.0000074500000000 ] - [ 0.0057617700000000, 0.0038906000000000, -0.0069873700000000 ] - [ 0.0011773700000000, -0.0002281200000000, 0.0005614300000000 ] - [ -0.0007186400000000, -0.0005707700000000, 0.0002564300000000 ] - [ 0.0005721300000000, 0.0000147500000000, 0.0003449300000000 ] - [ -0.0021097700000000, -0.0021424100000000, -0.0009117200000000 ] - [ 0.0009513000000000, 0.0000887800000000, -0.0003762800000000 ] - [ -0.0067465700000000, -0.0073421100000000, -0.0000407200000000 ] - [ 0.0010882200000000, -0.0000187300000000, -0.0004128000000000 ] - [ -0.0015060300000000, 0.0017163500000000, 0.0000841000000000 ] - [ -0.0000642400000000, -0.0001250600000000, 0.0000171100000000 ] - [ 0.0050190900000000, -0.0072037700000000, -0.0039206700000000 ] - [ 0.0003070500000000, 0.0005442600000000, 0.0001994000000000 ] - [ -0.0071089100000000, 0.0093190000000000, -0.0128461700000000 ] - [ 0.0020071700000000, 0.0004386700000000, 0.0000937200000000 ] - [ 0.0001850500000000, 0.0016014400000000, 0.0008307200000000 ] - [ 0.0017559700000000, 0.0002067100000000, 0.0001028500000000 ] - [ -0.0064353400000000, -0.0019765200000000, 0.0006394600000000 ] - [ 0.0019654700000000, -0.0004880700000000, -0.0002434100000000 ] - [ -0.0055862000000000, -0.0015638000000000, 0.0012497000000000 ] - [ 0.0019848100000000, -0.0004514000000000, -0.0002205700000000 ] - [ -0.0540866000000000, -0.0070429700000000, -0.0245780700000000 ] - [ 0.0025901700000000, -0.0005667400000000, -0.0001897500000000 ] - [ -0.0024186000000000, -0.0004504000000000, -0.0000044400000000 ] - [ 0.0016028300000000, -0.0006594700000000, -0.0001676000000000 ] - [ -0.0008360300000000, -0.0007846800000000, -0.0001766400000000 ] - [ 0.0012473600000000, 0.0002828600000000, 0.0006585300000000 ] - [ -0.0018010000000000, 0.0020553100000000, 0.0003009300000000 ] - [ 0.0013796000000000, 0.0000040300000000, 0.0006878800000000 ] - [ 0.0100743500000000, 0.0018902000000000, 0.0026457700000000 ] - [ 0.0024796600000000, 0.0006811000000000, 0.0004426700000000 ] - [ -0.0004431100000000, 0.0002661000000000, -0.0000318300000000 ] - [ 0.0008666600000000, 0.0006878200000000, 0.0001153400000000 ] - [ -0.0363974300000000, 0.0039484100000000, 0.0109754100000000 ] - [ -0.0038072000000000, -0.0001667500000000, -0.0008106100000000 ] - [ 0.0022408800000000, -0.0005303200000000, -0.0010824200000000 ] - [ -0.0020085100000000, 0.0006849200000000, -0.0000632100000000 ] - [ 0.0059518100000000, 0.0061269500000000, -0.0003138100000000 ] - [ -0.0025727900000000, 0.0002055400000000, 0.0002583100000000 ] - [ 0.0063125600000000, -0.0018806200000000, -0.0045962500000000 ] - [ -0.0026467100000000, 0.0006155400000000, 0.0001843200000000 ] - [ -0.0010477000000000, -0.0015974100000000, 0.0012344700000000 ] - [ -0.0017803500000000, 0.0007901500000000, 0.0009588900000000 ] - [ -0.0011431400000000, 0.0018178900000000, 0.0010441900000000 ] - [ -0.0016945800000000, -0.0009914400000000, 0.0009306500000000 ] - [ 0.0041534500000000, -0.0040992800000000, 0.0215118200000000 ] - [ -0.0028709300000000, -0.0002551300000000, -0.0004724000000000 ] - [ 0.0014667600000000, -0.0000963200000000, -0.0004112300000000 ] - [ -0.0014546600000000, -0.0001658100000000, -0.0005522600000000 ] - [ 0.1210910900000000, -0.0080178400000000, 0.0010279600000000 ] - [ -0.0020586300000000, -0.0005308500000000, 0.0003667500000000 ] - [ 0.0024365700000000, -0.0003767900000000, 0.0008706700000000 ] - [ -0.0014154200000000, -0.0005779900000000, 0.0002919800000000 ] - [ 0.0021454100000000, -0.0052964800000000, 0.0021774900000000 ] - [ -0.0015050800000000, -0.0001614700000000, -0.0004129600000000 ] - [ 0.0021455400000000, 0.0028386000000000, 0.0031170200000000 ] - [ -0.0015048200000000, -0.0009794900000000, -0.0004860300000000 ] - [ -0.0018429300000000, 0.0001262600000000, -0.0042505700000000 ] - [ -0.0025110400000000, 0.0000383100000000, 0.0003570000000000 ] - [ -0.0002926800000000, 0.0000459000000000, -0.0002105500000000 ] - [ -0.0001012100000000, -0.0000412100000000, -0.0000417600000000 ] - [ 0.0001842900000000, 0.0020985300000000, 0.0004915600000000 ] - [ -0.0013975800000000, -0.0002606100000000, -0.0001543000000000 ] - [ 0.0002879900000000, -0.0018315800000000, 0.0005226400000000 ] - [ -0.0014464900000000, 0.0002029900000000, -0.0001526900000000 ] - [ 0.0024842700000000, -0.0001256000000000, 0.0016543800000000 ] - [ -0.0011897800000000, 0.0000543400000000, -0.0000810200000000 ] - [ 0.0012112300000000, 0.0001374700000000, -0.0000932300000000 ] - [ -0.0009487100000000, 0.0000677600000000, -0.0000492600000000 ] - [ 0.0025749900000000, -0.0029673100000000, -0.0020328800000000 ] - [ -0.0009607900000000, 0.0001511100000000, 0.0000691900000000 ] - [ 0.0022925400000000, 0.0033737500000000, -0.0021402100000000 ] - [ -0.0009421800000000, -0.0000082300000000, 0.0000693300000000 ] - [ -0.0013189700000000, 0.0024950200000000, -0.0002215500000000 ] - [ -0.0011338000000000, -0.0008538900000000, -0.0005668600000000 ] - [ -0.0018417900000000, -0.0031740500000000, 0.0002573300000000 ] - [ -0.0013298000000000, 0.0006907800000000, -0.0007320000000000 ] - [ -0.0014794600000000, -0.0000505300000000, 0.0010950000000000 ] - [ -0.0020142300000000, 0.0000283300000000, -0.0014843600000000 ] - [ -0.0006389300000000, -0.0000272700000000, 0.0005381400000000 ] - [ -0.0000618600000000, -0.0000728000000000, 0.0004650000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006137900000000, -0.0003318300000000, 0.0006504400000000 ] - [ 0.0005272600000000, -0.0003801600000000, 0.0000432400000000 ] - [ 0.0008304800000000, 0.0000969700000000, -0.0004723900000000 ] - [ -0.0005493400000000, 0.0001515200000000, 0.0001651400000000 ] - [ -0.0114058500000000, 0.0078705500000000, 0.0094921500000000 ] - [ -0.0000351300000000, -0.0000499300000000, -0.0001461600000000 ] - [ -0.0000955300000000, -0.0025596800000000, 0.0005189000000000 ] - [ 0.0000167000000000, -0.0002269300000000, -0.0001232100000000 ] - [ -0.0001097900000000, -0.0002251000000000, 0.0005010500000000 ] - [ 0.0006299500000000, -0.0001457000000000, 0.0007451100000000 ] - [ 0.0006719900000000, 0.0013153300000000, 0.0005499600000000 ] - [ -0.0000596400000000, 0.0012025600000000, 0.0003510300000000 ] - [ 0.0001412500000000, 0.0016857600000000, -0.0012239200000000 ] - [ -0.0002546300000000, 0.0005741600000000, -0.0005091800000000 ] - [ -0.0008249500000000, -0.0016500100000000, -0.0013156500000000 ] - [ -0.0002501900000000, 0.0003530000000000, -0.0005749000000000 ] - [ 0.0002508700000000, 0.0001967700000000, -0.0001130000000000 ] - [ 0.0011626300000000, 0.0001044700000000, -0.0001233800000000 ] - [ 0.0014311800000000, -0.0003789200000000, -0.0001423100000000 ] - [ 0.0003335500000000, -0.0003094200000000, -0.0001678200000000 ] - [ -0.0026305700000000, 0.0049836300000000, -0.0011036000000000 ] - [ -0.0007506500000000, 0.0001403800000000, 0.0001177500000000 ] - [ -0.0002469900000000, -0.0027019500000000, 0.0008345100000000 ] - [ -0.0006932100000000, -0.0002189100000000, 0.0001782600000000 ] - [ -0.0008594200000000, -0.0000285500000000, -0.0000059000000000 ] - [ 0.0007966000000000, -0.0002745300000000, -0.0003048300000000 ] - [ 0.0001641300000000, 0.0000189600000000, -0.0005419100000000 ] - [ -0.0019467900000000, 0.0002048100000000, -0.0002170700000000 ] - [ 0.0019540100000000, 0.0011279000000000, -0.0024404400000000 ] - [ 0.0003708800000000, 0.0001743800000000, 0.0002132200000000 ] - [ 0.0000979400000000, -0.0009456800000000, 0.0004813700000000 ] - [ 0.0005046600000000, -0.0001911100000000, 0.0002425300000000 ] - [ -0.0013852100000000, 0.0015587700000000, -0.0004540000000000 ] - [ 0.0002636600000000, 0.0004447900000000, 0.0000629400000000 ] - [ 0.0006190300000000, -0.0015827000000000, 0.0011115000000000 ] - [ -0.0002458800000000, -0.0003233300000000, 0.0003690200000000 ] - [ -0.0001082700000000, -0.0091635000000000, -0.0018399900000000 ] - [ 0.0000514700000000, -0.0000395000000000, -0.0002957800000000 ] - [ 0.0092871200000000, 0.0516809200000000, 0.0026921600000000 ] - [ 0.0000665700000000, 0.0001308600000000, -0.0001950600000000 ] - [ -0.0012608000000000, -0.0019311100000000, -0.0005520700000000 ] - [ -0.0006037600000000, -0.0005940700000000, -0.0001794800000000 ] - [ -0.0006765400000000, 0.0039223600000000, 0.0013274400000000 ] - [ -0.0014086000000000, 0.0010547500000000, -0.0000741800000000 ] - [ -0.0101211900000000, 0.0238509700000000, -0.0290926900000000 ] - [ 0.0009408100000000, 0.0002012700000000, 0.0000780100000000 ] - [ 0.0002245800000000, -0.0120471200000000, -0.0031458400000000 ] - [ 0.0009309400000000, 0.0000861600000000, 0.0001319900000000 ] - [ -0.0051555400000000, -0.0048622900000000, 0.0025230600000000 ] - [ 0.0002965500000000, -0.0005447900000000, -0.0000634600000000 ] - [ 0.0068205500000000, -0.0032450700000000, -0.0072690600000000 ] - [ 0.0000239400000000, -0.0005261200000000, -0.0000249200000000 ] - [ 0.0037289500000000, 0.0024661900000000, 0.0028541000000000 ] - [ 0.0000296800000000, -0.0002573200000000, 0.0000749200000000 ] - [ 0.0002680300000000, -0.0025877500000000, 0.0000730200000000 ] - [ -0.0002501600000000, -0.0007455300000000, 0.0000093700000000 ] - [ 0.0026042200000000, -0.0054638000000000, 0.0044799000000000 ] - [ 0.0000186600000000, 0.0003663100000000, 0.0001096600000000 ] - [ -0.0039616100000000, -0.0002975600000000, -0.0105431300000000 ] - [ 0.0000968000000000, 0.0004405100000000, 0.0001782100000000 ] - [ -0.0006719800000000, 0.0005901300000000, -0.0001235200000000 ] - [ 0.0005531500000000, 0.0010900400000000, 0.0000731000000000 ] - [ 0.0001375900000000, -0.0002496200000000, -0.0000985100000000 ] - [ -0.0004584000000000, -0.0003275300000000, -0.0002376500000000 ] - [ 0.0023829000000000, -0.0035747800000000, -0.0011446600000000 ] - [ -0.0002889400000000, -0.0011743700000000, -0.0003196700000000 ] - [ -0.0006911500000000, 0.0034180300000000, -0.0006572100000000 ] - [ 0.0004051300000000, 0.0015330800000000, 0.0000981600000000 ] - [ 0.0023991300000000, 0.0280067100000000, -0.0100798900000000 ] - [ -0.0001934600000000, 0.0003432700000000, 0.0002007100000000 ] - [ -0.0009973600000000, 0.0228307300000000, 0.0319078100000000 ] - [ -0.0000698200000000, 0.0004131900000000, -0.0000128800000000 ] - [ 0.0004028000000000, 0.0000821300000000, -0.0000461400000000 ] - [ -0.0017206200000000, 0.0003207300000000, 0.0007732600000000 ] - [ -0.0009805900000000, -0.0004802700000000, 0.0015361100000000 ] - [ 0.0016509700000000, -0.0006054600000000, 0.0004635000000000 ] - [ 0.0019978600000000, -0.0069293100000000, 0.0063545700000000 ] - [ 0.0002210300000000, -0.0003880600000000, -0.0006480800000000 ] - [ 0.0003878400000000, 0.0041319400000000, -0.0014248300000000 ] - [ 0.0000723400000000, 0.0001187100000000, -0.0006415400000000 ] - [ 0.0076394500000000, -0.1117688200000000, 0.0086058600000000 ] - [ -0.0000542700000000, -0.0007175300000000, 0.0002454300000000 ] - [ -0.0002089200000000, 0.0073797700000000, -0.0008515400000000 ] - [ -0.0000064000000000, -0.0004250200000000, 0.0002636800000000 ] - [ 0.0034349400000000, -0.0000615900000000, 0.0001933600000000 ] - [ -0.0003921200000000, -0.0005266400000000, -0.0001181200000000 ] - [ -0.0047131000000000, -0.0000525900000000, -0.0008723100000000 ] - [ 0.0004227400000000, -0.0005253900000000, -0.0003069500000000 ] - [ 0.0003593100000000, -0.0008795700000000, 0.0001567000000000 ] - [ -0.0006857200000000, -0.0007398100000000, -0.0001165300000000 ] - [ 0.0000112500000000, 0.0008951900000000, -0.0001137300000000 ] - [ 0.0004235500000000, 0.0007683900000000, -0.0002065600000000 ] - [ -0.0009790800000000, 0.0010732500000000, -0.0023892400000000 ] - [ 0.0000204400000000, 0.0000474000000000, 0.0000719900000000 ] - [ 0.0006262400000000, -0.0003895200000000, 0.0036137000000000 ] - [ -0.0004666900000000, -0.0000730900000000, 0.0000935600000000 ] - [ 0.0004603300000000, -0.0028012200000000, -0.0003217700000000 ] - [ -0.0001429800000000, -0.0000911200000000, -0.0000247100000000 ] - [ -0.0002607300000000, 0.0020680600000000, 0.0001623200000000 ] - [ -0.0000848500000000, 0.0002168700000000, -0.0000245100000000 ] - [ 0.0023641500000000, 0.0026505500000000, 0.0025309700000000 ] - [ -0.0000335500000000, 0.0001058500000000, 0.0000060400000000 ] - [ -0.0030605500000000, 0.0021920700000000, -0.0035607000000000 ] - [ 0.0002050500000000, 0.0000298500000000, 0.0000285100000000 ] - [ -0.0022061200000000, 0.0015142800000000, 0.0005539400000000 ] - [ 0.0002297600000000, 0.0000225100000000, -0.0004820600000000 ] - [ 0.0037493400000000, 0.0006922500000000, -0.0024075500000000 ] - [ -0.0001466400000000, -0.0001181300000000, -0.0005144900000000 ] - [ 0.0000181900000000, -0.0003687400000000, 0.0004498000000000 ] - [ -0.0009265500000000, -0.0026000700000000, 0.0001951700000000 ] - [ -0.0001521700000000, 0.0002314600000000, 0.0005266200000000 ] - [ 0.0003656800000000, 0.0015268100000000, 0.0007358900000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006389000000000, 0.0000575800000000, -0.0004001300000000 ] - [ -0.0005027100000000, 0.0001040000000000, 0.0002078400000000 ] - [ -0.0008077800000000, -0.0003770500000000, 0.0007244300000000 ] - [ 0.0005760500000000, -0.0004301200000000, 0.0000857200000000 ] - [ 0.0115446400000000, -0.0083319300000000, -0.0098592900000000 ] - [ 0.0000116300000000, -0.0002275000000000, -0.0001031400000000 ] - [ 0.0000729200000000, 0.0022854000000000, -0.0007764400000000 ] - [ -0.0000417200000000, -0.0000503900000000, -0.0001261000000000 ] - [ 0.0006499600000000, 0.0011712400000000, 0.0005751400000000 ] - [ -0.0000844200000000, 0.0010892800000000, 0.0003341300000000 ] - [ -0.0001272900000000, -0.0003804000000000, 0.0005317100000000 ] - [ 0.0006048600000000, -0.0002633900000000, 0.0007294900000000 ] - [ -0.0006796600000000, -0.0007308500000000, 0.0001674500000000 ] - [ -0.0002906700000000, 0.0003676600000000, -0.0005707700000000 ] - [ 0.0002801800000000, 0.0025925600000000, 0.0002332200000000 ] - [ -0.0002960500000000, 0.0005885600000000, -0.0005049700000000 ] - [ 0.0012369100000000, -0.0002787100000000, -0.0001931800000000 ] - [ 0.0003241700000000, -0.0001884300000000, -0.0001831100000000 ] - [ 0.0000503100000000, 0.0002896600000000, -0.0001660300000000 ] - [ 0.0011549300000000, 0.0002219800000000, -0.0001396500000000 ] - [ 0.0011476300000000, -0.0051018900000000, 0.0014251500000000 ] - [ -0.0007352800000000, -0.0002282000000000, 0.0001894300000000 ] - [ -0.0012383400000000, 0.0026191700000000, -0.0005327400000000 ] - [ -0.0007931700000000, 0.0001324500000000, 0.0001285500000000 ] - [ 0.0000526000000000, 0.0000119500000000, -0.0004757500000000 ] - [ -0.0016048500000000, 0.0002592400000000, -0.0001770800000000 ] - [ -0.0009724100000000, -0.0000383500000000, 0.0000611600000000 ] - [ 0.0011439600000000, -0.0002255600000000, -0.0002648300000000 ] - [ -0.0011635900000000, -0.0011568900000000, 0.0029424100000000 ] - [ 0.0004387900000000, -0.0001930100000000, 0.0002689800000000 ] - [ 0.0007136900000000, 0.0009289700000000, -0.0000040300000000 ] - [ 0.0003015200000000, 0.0001734800000000, 0.0002384300000000 ] - [ 0.0013026300000000, -0.0014504100000000, 0.0009289800000000 ] - [ -0.0003661000000000, -0.0003463800000000, 0.0004286000000000 ] - [ -0.0007238800000000, 0.0016827900000000, -0.0006206900000000 ] - [ 0.0001455500000000, 0.0004216700000000, 0.0001229600000000 ] - [ 0.0002109100000000, 0.0092413200000000, 0.0013842600000000 ] - [ 0.0000502800000000, 0.0001397000000000, -0.0001960000000000 ] - [ -0.0098734100000000, -0.0555170300000000, -0.0042500100000000 ] - [ 0.0000350000000000, -0.0000314500000000, -0.0002959000000000 ] - [ -0.0005972500000000, 0.0022221400000000, 0.0003405500000000 ] - [ -0.0012498700000000, 0.0008817900000000, -0.0000330400000000 ] - [ -0.0011744400000000, -0.0036627400000000, -0.0015460400000000 ] - [ -0.0004447800000000, -0.0007718000000000, -0.0001394700000000 ] - [ 0.0115645100000000, -0.0227275300000000, 0.0279408300000000 ] - [ 0.0009147000000000, 0.0000867900000000, 0.0001349500000000 ] - [ 0.0016305500000000, 0.0122933300000000, 0.0033356200000000 ] - [ 0.0009239300000000, 0.0002003500000000, 0.0000808400000000 ] - [ 0.0054576900000000, 0.0038086400000000, -0.0025821100000000 ] - [ -0.0000000400000000, -0.0005178200000000, -0.0000082500000000 ] - [ -0.0065410900000000, 0.0022001200000000, 0.0072237600000000 ] - [ 0.0002729100000000, -0.0005372700000000, -0.0000475500000000 ] - [ -0.0045029700000000, -0.0035977000000000, -0.0028952700000000 ] - [ -0.0003270000000000, -0.0008068800000000, -0.0000034100000000 ] - [ -0.0005729500000000, 0.0015262300000000, 0.0000010800000000 ] - [ -0.0000441000000000, -0.0003177300000000, 0.0000623500000000 ] - [ -0.0025360200000000, 0.0063117500000000, -0.0042362100000000 ] - [ 0.0000559300000000, 0.0004451200000000, 0.0001400600000000 ] - [ 0.0040519700000000, 0.0011168500000000, 0.0108381500000000 ] - [ -0.0000213900000000, 0.0003692000000000, 0.0000714700000000 ] - [ 0.0006320800000000, 0.0002225700000000, -0.0001193800000000 ] - [ -0.0006319000000000, -0.0002792100000000, -0.0003239200000000 ] - [ -0.0002160000000000, 0.0010618200000000, -0.0001527600000000 ] - [ 0.0003849100000000, 0.0011395900000000, -0.0000116900000000 ] - [ -0.0022672800000000, 0.0043535800000000, 0.0009571700000000 ] - [ 0.0004943800000000, 0.0019190200000000, 0.0001225000000000 ] - [ 0.0009050600000000, -0.0026824000000000, 0.0004551200000000 ] - [ -0.0002058400000000, -0.0007942900000000, -0.0002997400000000 ] - [ -0.0026480700000000, -0.0272138400000000, 0.0100767600000000 ] - [ -0.0000090200000000, 0.0003949900000000, -0.0000012400000000 ] - [ 0.0007486400000000, -0.0222968200000000, -0.0317458300000000 ] - [ -0.0001327700000000, 0.0003280800000000, 0.0002131700000000 ] - [ -0.0007515000000000, -0.0003520000000000, 0.0013719500000000 ] - [ 0.0013722000000000, -0.0005870200000000, 0.0005510900000000 ] - [ 0.0006332400000000, 0.0002256100000000, -0.0002146000000000 ] - [ -0.0020052200000000, 0.0003469600000000, 0.0008608200000000 ] - [ -0.0016331800000000, 0.0066971200000000, -0.0077488200000000 ] - [ 0.0001271100000000, 0.0001260200000000, -0.0006772500000000 ] - [ -0.0000403000000000, -0.0044020900000000, 0.0001117700000000 ] - [ 0.0002800500000000, -0.0003816300000000, -0.0006834900000000 ] - [ -0.0061875400000000, 0.1139374000000000, -0.0053213400000000 ] - [ 0.0000214400000000, -0.0004166100000000, 0.0002634500000000 ] - [ 0.0001792200000000, -0.0085033100000000, 0.0013598300000000 ] - [ -0.0000257000000000, -0.0007097000000000, 0.0002446300000000 ] - [ -0.0033972400000000, -0.0010885200000000, -0.0007010500000000 ] - [ 0.0004235200000000, -0.0006127700000000, -0.0003920800000000 ] - [ 0.0047605300000000, -0.0010796700000000, 0.0003674900000000 ] - [ -0.0003920700000000, -0.0006113600000000, -0.0002022900000000 ] - [ 0.0000107600000000, 0.0008571800000000, -0.0003406600000000 ] - [ 0.0010668700000000, 0.0007159800000000, -0.0000583500000000 ] - [ 0.0003644600000000, -0.0009214200000000, -0.0000590900000000 ] - [ -0.0000526900000000, -0.0007937900000000, 0.0000336100000000 ] - [ 0.0006065300000000, -0.0011059600000000, 0.0025658500000000 ] - [ -0.0003936100000000, -0.0000725400000000, 0.0001018600000000 ] - [ -0.0010020000000000, 0.0003751400000000, -0.0034524400000000 ] - [ 0.0000937200000000, 0.0000511200000000, 0.0000803900000000 ] - [ -0.0006421100000000, 0.0029341200000000, 0.0002780900000000 ] - [ -0.0000345600000000, 0.0002216000000000, -0.0000278800000000 ] - [ 0.0000830900000000, -0.0019404700000000, -0.0002149800000000 ] - [ -0.0000930000000000, -0.0000869100000000, -0.0000280900000000 ] - [ -0.0021678100000000, -0.0025107100000000, -0.0024540000000000 ] - [ 0.0002112600000000, 0.0000235300000000, 0.0000464400000000 ] - [ 0.0032636400000000, -0.0020722100000000, 0.0036419800000000 ] - [ -0.0000276600000000, 0.0001009500000000, 0.0000238900000000 ] - [ 0.0023094100000000, -0.0016378100000000, -0.0015535600000000 ] - [ -0.0001155000000000, -0.0001459200000000, -0.0005229300000000 ] - [ -0.0036501000000000, -0.0008119400000000, 0.0014069900000000 ] - [ 0.0002615000000000, -0.0000009800000000, -0.0004905400000000 ] - [ -0.0001344100000000, 0.0002485100000000, 0.0005559800000000 ] - [ 0.0008189500000000, 0.0024801800000000, 0.0008151000000000 ] - [ 0.0000384500000000, -0.0003529900000000, 0.0004777400000000 ] - [ -0.0004809300000000, -0.0016497200000000, 0.0002678200000000 ]- atom: 81 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0006011500000000, -0.0003104400000000, -0.0006097300000000 ] - [ -0.0003885400000000, -0.0002675900000000, -0.0005759500000000 ] - [ 0.0004004400000000, 0.0000033100000000, -0.0002965800000000 ] - [ -0.0003119600000000, -0.0002870100000000, -0.0005646300000000 ] - [ -0.0325780800000000, 0.0110350500000000, 0.0307901200000000 ] - [ -0.0000530300000000, -0.0001546700000000, -0.0001958600000000 ] - [ -0.0005275300000000, 0.0000978300000000, 0.0013209700000000 ] - [ 0.0000571000000000, -0.0001192300000000, -0.0001717700000000 ] - [ 0.0002050800000000, 0.0003075100000000, 0.0000846900000000 ] - [ 0.0003549500000000, 0.0002880000000000, 0.0003936600000000 ] - [ 0.0001575100000000, 0.0007399500000000, -0.0002404100000000 ] - [ 0.0006119100000000, 0.0011314600000000, 0.0000320700000000 ] - [ -0.0019247300000000, -0.0041642400000000, -0.0091100200000000 ] - [ -0.0002562500000000, 0.0003963600000000, -0.0005894500000000 ] - [ -0.0001696400000000, 0.0013797700000000, -0.0008335100000000 ] - [ -0.0001924900000000, 0.0005385900000000, -0.0005373000000000 ] - [ 0.0008095700000000, -0.0003038200000000, -0.0009117900000000 ] - [ 0.0009711200000000, -0.0007078100000000, -0.0007061100000000 ] - [ 0.0008445200000000, 0.0002346300000000, -0.0004927900000000 ] - [ 0.0008897900000000, 0.0002323500000000, -0.0003595100000000 ] - [ -0.0012788400000000, 0.0051698000000000, -0.0080010000000000 ] - [ -0.0007215000000000, -0.0000048800000000, 0.0001166900000000 ] - [ -0.0005908400000000, -0.0006410000000000, -0.0002922500000000 ] - [ -0.0006531500000000, -0.0000948000000000, 0.0001378700000000 ] - [ -0.0001342500000000, -0.0001121800000000, -0.0004979100000000 ] - [ -0.0001596000000000, -0.0008280400000000, -0.0011749900000000 ] - [ -0.0002436200000000, 0.0001024400000000, -0.0004019700000000 ] - [ 0.0001168500000000, 0.0007426000000000, -0.0009758000000000 ] - [ 0.0061049800000000, 0.0008854700000000, -0.0072242300000000 ] - [ 0.0002851400000000, -0.0000150500000000, 0.0000988800000000 ] - [ 0.0001571100000000, -0.0000221000000000, 0.0003189400000000 ] - [ 0.0005956100000000, 0.0000023300000000, 0.0002076300000000 ] - [ -0.0007213300000000, -0.0016466000000000, 0.0045199200000000 ] - [ -0.0002334100000000, -0.0000827800000000, 0.0010180700000000 ] - [ 0.0004729200000000, -0.0000032100000000, 0.0005800700000000 ] - [ -0.0002235000000000, 0.0000526100000000, 0.0004317700000000 ] - [ 0.0003681200000000, 0.0072394900000000, 0.0046507300000000 ] - [ 0.0000844500000000, 0.0000210000000000, -0.0002154100000000 ] - [ 0.0005276200000000, 0.0048718100000000, 0.0022460500000000 ] - [ 0.0000832400000000, 0.0001461500000000, -0.0001522600000000 ] - [ -0.0004539900000000, 0.0001727100000000, 0.0005433000000000 ] - [ -0.0008628300000000, 0.0000370600000000, 0.0000713700000000 ] - [ -0.0026612800000000, 0.0027170100000000, 0.0020966300000000 ] - [ -0.0008340200000000, 0.0004523600000000, 0.0003083100000000 ] - [ 0.0137778000000000, -0.0212199200000000, 0.0369348800000000 ] - [ 0.0009659800000000, 0.0000292700000000, 0.0001782000000000 ] - [ 0.0005701700000000, -0.0021182200000000, -0.0009359000000000 ] - [ 0.0009838500000000, 0.0002066900000000, 0.0001335200000000 ] - [ 0.0060008300000000, 0.0043932800000000, -0.0023780800000000 ] - [ 0.0001729700000000, -0.0005682000000000, -0.0000298600000000 ] - [ 0.0021878000000000, -0.0019426300000000, -0.0015280800000000 ] - [ 0.0001906200000000, -0.0004794900000000, -0.0000228300000000 ] - [ 0.0224642000000000, 0.0024870400000000, 0.0134671800000000 ] - [ 0.0003093600000000, -0.0004793100000000, 0.0002761500000000 ] - [ 0.0009290700000000, -0.0002720000000000, 0.0007883300000000 ] - [ -0.0001737700000000, -0.0005516400000000, 0.0001036000000000 ] - [ -0.0027713600000000, 0.0069067300000000, -0.0062893400000000 ] - [ 0.0001442300000000, 0.0003381600000000, 0.0001694400000000 ] - [ -0.0012418500000000, -0.0010172600000000, -0.0038463600000000 ] - [ 0.0001015700000000, 0.0004317300000000, 0.0001576400000000 ] - [ -0.0028367500000000, 0.0002254900000000, -0.0004310600000000 ] - [ 0.0013891100000000, 0.0005422700000000, 0.0009167600000000 ] - [ 0.0004657800000000, 0.0007069200000000, 0.0003218700000000 ] - [ 0.0000061500000000, 0.0004757200000000, -0.0000315800000000 ] - [ 0.0062480700000000, -0.0007946100000000, -0.0069441500000000 ] - [ -0.0008801000000000, -0.0000997100000000, -0.0017416500000000 ] - [ -0.0008515800000000, 0.0001954600000000, -0.0006616900000000 ] - [ 0.0001084100000000, 0.0005271200000000, -0.0003884500000000 ] - [ -0.0045255500000000, -0.0273220600000000, 0.0048795700000000 ] - [ -0.0001900300000000, 0.0005144100000000, 0.0000075700000000 ] - [ 0.0005226700000000, 0.0111499300000000, 0.0105027900000000 ] - [ -0.0001797200000000, 0.0002482100000000, -0.0000052300000000 ] - [ -0.0003082900000000, 0.0002720400000000, 0.0017645400000000 ] - [ -0.0002678500000000, 0.0005802500000000, 0.0019072900000000 ] - [ -0.0002531000000000, -0.0006110600000000, 0.0015231100000000 ] - [ -0.0004938200000000, -0.0007583100000000, 0.0020819000000000 ] - [ -0.0040088200000000, -0.0010503000000000, 0.0345074600000000 ] - [ 0.0002738200000000, -0.0001084700000000, -0.0005560000000000 ] - [ -0.0000846000000000, -0.0001446700000000, -0.0020260900000000 ] - [ -0.0000658600000000, -0.0001601000000000, -0.0006003500000000 ] - [ -0.0009387200000000, 0.0050906200000000, -0.1085823000000000 ] - [ -0.0001410400000000, -0.0005756800000000, 0.0001538200000000 ] - [ -0.0006339400000000, -0.0016651900000000, -0.0019723700000000 ] - [ -0.0000642600000000, -0.0005570900000000, 0.0002542700000000 ] - [ -0.0033475600000000, 0.0000305900000000, -0.0013182200000000 ] - [ 0.0002447800000000, -0.0005139800000000, -0.0004414700000000 ] - [ -0.0024071600000000, -0.0009983200000000, -0.0013126300000000 ] - [ 0.0001718400000000, -0.0007070300000000, -0.0004411400000000 ] - [ 0.0005115600000000, 0.0000292500000000, 0.0009839700000000 ] - [ -0.0028729900000000, 0.0001271400000000, 0.0002660100000000 ] - [ 0.0000563500000000, -0.0000335200000000, -0.0002068000000000 ] - [ 0.0003942200000000, -0.0000592400000000, -0.0000302800000000 ] - [ -0.0004078600000000, 0.0030086500000000, 0.0049841200000000 ] - [ -0.0003467200000000, 0.0000685500000000, 0.0001192100000000 ] - [ -0.0009684000000000, -0.0030167000000000, 0.0045474900000000 ] - [ -0.0002948000000000, -0.0000972500000000, 0.0001178200000000 ] - [ -0.0017428300000000, 0.0004371400000000, 0.0047237300000000 ] - [ -0.0001149600000000, 0.0000680500000000, 0.0000541600000000 ] - [ -0.0005226900000000, -0.0002107900000000, 0.0008226500000000 ] - [ -0.0000796600000000, 0.0000534800000000, 0.0000060500000000 ] - [ 0.0016102100000000, 0.0033366800000000, 0.0003556800000000 ] - [ -0.0000121000000000, 0.0001644700000000, 0.0000217500000000 ] - [ 0.0016300300000000, -0.0034487600000000, 0.0003505800000000 ] - [ 0.0000051800000000, -0.0000235800000000, 0.0000057400000000 ] - [ -0.0002735200000000, 0.0017241700000000, -0.0020784300000000 ] - [ 0.0000479500000000, 0.0001613900000000, -0.0005551000000000 ] - [ -0.0004131600000000, -0.0018765300000000, -0.0017658100000000 ] - [ 0.0001147200000000, -0.0002625300000000, -0.0004884400000000 ] - [ -0.0001575500000000, -0.0000218700000000, 0.0004478900000000 ] - [ 0.0031617200000000, 0.0003726500000000, 0.0026204600000000 ] - [ -0.0002705700000000, -0.0000994200000000, 0.0005429900000000 ] - [ 0.0008577300000000, -0.0002703000000000, 0.0007729600000000 ]- atom: 81 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0005823400000000, 0.0000274100000000, 0.0008504800000000 ] - [ 0.0004090300000000, -0.0000152500000000, 0.0008195900000000 ] - [ -0.0003812400000000, -0.0002853800000000, 0.0005342400000000 ] - [ 0.0003335200000000, 0.0000050300000000, 0.0008059100000000 ] - [ 0.0307813800000000, -0.0107460200000000, -0.0295055700000000 ] - [ 0.0000338800000000, -0.0001277300000000, -0.0000463200000000 ] - [ 0.0005081500000000, -0.0003814400000000, -0.0015579200000000 ] - [ -0.0000763800000000, -0.0001639200000000, -0.0000692300000000 ] - [ 0.0003399700000000, 0.0006293000000000, 0.0009967500000000 ] - [ 0.0001950700000000, 0.0006464400000000, 0.0006902700000000 ] - [ 0.0003856200000000, 0.0001983200000000, 0.0013256300000000 ] - [ -0.0000630900000000, -0.0001959600000000, 0.0010512000000000 ] - [ 0.0014022600000000, 0.0050880500000000, 0.0080219600000000 ] - [ -0.0002923200000000, 0.0005393300000000, -0.0004952200000000 ] - [ -0.0003800100000000, -0.0004374800000000, -0.0002497000000000 ] - [ -0.0003565300000000, 0.0003967000000000, -0.0005477300000000 ] - [ 0.0006751100000000, 0.0002131100000000, 0.0006102200000000 ] - [ 0.0005199100000000, 0.0006217100000000, 0.0004029200000000 ] - [ 0.0006431500000000, -0.0003218200000000, 0.0001888500000000 ] - [ 0.0006028200000000, -0.0003178400000000, 0.0000560900000000 ] - [ -0.0001845000000000, -0.0052500100000000, 0.0082738500000000 ] - [ -0.0007671300000000, -0.0000834600000000, 0.0001853800000000 ] - [ -0.0008965100000000, 0.0005491300000000, 0.0005953200000000 ] - [ -0.0008353300000000, 0.0000058100000000, 0.0001642800000000 ] - [ -0.0006829900000000, 0.0000923000000000, 0.0000199000000000 ] - [ -0.0006515600000000, 0.0008076400000000, 0.0006954400000000 ] - [ -0.0005728900000000, -0.0001211000000000, -0.0000771700000000 ] - [ -0.0009241400000000, -0.0007608700000000, 0.0004975200000000 ] - [ -0.0052929400000000, -0.0009201600000000, 0.0077379100000000 ] - [ 0.0005298200000000, -0.0000035500000000, 0.0003784300000000 ] - [ 0.0006599300000000, 0.0000039100000000, 0.0001573100000000 ] - [ 0.0002202100000000, -0.0000208000000000, 0.0002684200000000 ] - [ 0.0006257100000000, 0.0017520100000000, -0.0040362400000000 ] - [ 0.0001346600000000, 0.0001806800000000, -0.0005206700000000 ] - [ -0.0005729700000000, 0.0000994100000000, -0.0000814800000000 ] - [ 0.0001239600000000, 0.0000449100000000, 0.0000663200000000 ] - [ -0.0002729100000000, -0.0071561600000000, -0.0051575400000000 ] - [ 0.0000157500000000, 0.0000781000000000, -0.0002858200000000 ] - [ -0.0003408000000000, -0.0045348500000000, -0.0025815100000000 ] - [ 0.0000166400000000, -0.0000473400000000, -0.0003469300000000 ] - [ -0.0014045200000000, 0.0001251600000000, -0.0007593600000000 ] - [ -0.0009952500000000, 0.0002606800000000, -0.0002875700000000 ] - [ 0.0008192800000000, -0.0024330200000000, -0.0023232200000000 ] - [ -0.0010248400000000, -0.0001544900000000, -0.0005251500000000 ] - [ -0.0125064600000000, 0.0233008300000000, -0.0381970300000000 ] - [ 0.0008923200000000, 0.0002696200000000, 0.0000349400000000 ] - [ 0.0012836100000000, 0.0023931800000000, 0.0011277200000000 ] - [ 0.0008746800000000, 0.0000917600000000, 0.0000802200000000 ] - [ -0.0056991100000000, -0.0054706900000000, 0.0023115000000000 ] - [ 0.0001265700000000, -0.0004980800000000, -0.0000388900000000 ] - [ -0.0018762400000000, 0.0008832400000000, 0.0014291900000000 ] - [ 0.0001095000000000, -0.0005868000000000, -0.0000466900000000 ] - [ -0.0225418900000000, -0.0035774800000000, -0.0136690100000000 ] - [ -0.0006084300000000, -0.0005869300000000, -0.0002090400000000 ] - [ -0.0012279600000000, -0.0007951600000000, -0.0007194100000000 ] - [ -0.0001246200000000, -0.0005152100000000, -0.0000370800000000 ] - [ 0.0028416200000000, -0.0060765500000000, 0.0065442900000000 ] - [ -0.0000609900000000, 0.0004662800000000, 0.0000958200000000 ] - [ 0.0013167400000000, 0.0018412900000000, 0.0040831500000000 ] - [ -0.0000172800000000, 0.0003718600000000, 0.0001078800000000 ] - [ 0.0027825100000000, 0.0005890500000000, 0.0001702200000000 ] - [ -0.0014731700000000, 0.0002634400000000, -0.0011822000000000 ] - [ -0.0005493400000000, 0.0000980500000000, -0.0005874900000000 ] - [ -0.0000923100000000, 0.0003275800000000, -0.0002360300000000 ] - [ -0.0061144300000000, 0.0015143300000000, 0.0067807300000000 ] - [ 0.0010880900000000, 0.0008358000000000, 0.0015439300000000 ] - [ 0.0010594000000000, 0.0005425300000000, 0.0004602000000000 ] - [ 0.0000986900000000, 0.0002104500000000, 0.0001884600000000 ] - [ 0.0042892500000000, 0.0280890300000000, -0.0047305500000000 ] - [ -0.0000182600000000, 0.0002225200000000, 0.0001909100000000 ] - [ -0.0007217100000000, -0.0104537000000000, -0.0102087400000000 ] - [ -0.0000285100000000, 0.0004900800000000, 0.0002041900000000 ] - [ -0.0000360900000000, -0.0005309600000000, -0.0004373500000000 ] - [ -0.0000819900000000, -0.0008432500000000, -0.0005790000000000 ] - [ -0.0000908400000000, 0.0003443900000000, -0.0001939700000000 ] - [ 0.0001413500000000, 0.0004963300000000, -0.0007534700000000 ] - [ 0.0041447000000000, 0.0008709600000000, -0.0357019700000000 ] - [ 0.0000727100000000, -0.0001551600000000, -0.0007739800000000 ] - [ 0.0004262000000000, -0.0001223700000000, 0.0006895800000000 ] - [ 0.0004139100000000, -0.0001034400000000, -0.0007283600000000 ] - [ 0.0031770700000000, -0.0088134800000000, 0.1091663900000000 ] - [ 0.0001093300000000, -0.0005603000000000, 0.0003553300000000 ] - [ 0.0006034700000000, 0.0005355500000000, 0.0024768200000000 ] - [ 0.0000339300000000, -0.0005787000000000, 0.0002542800000000 ] - [ 0.0033799600000000, -0.0011722500000000, 0.0008138000000000 ] - [ -0.0002151500000000, -0.0006249900000000, -0.0000695900000000 ] - [ 0.0024363000000000, -0.0001356500000000, 0.0008116300000000 ] - [ -0.0001425800000000, -0.0004324700000000, -0.0000687000000000 ] - [ -0.0001307400000000, -0.0000549200000000, -0.0011693300000000 ] - [ 0.0032507100000000, -0.0001534700000000, -0.0004431000000000 ] - [ 0.0003218000000000, 0.0000073600000000, 0.0000308400000000 ] - [ -0.0000162800000000, 0.0000328100000000, -0.0001459700000000 ] - [ 0.0000229900000000, -0.0030211000000000, -0.0048027700000000 ] - [ -0.0000313000000000, -0.0000932500000000, 0.0000539500000000 ] - [ 0.0005771500000000, 0.0029725700000000, -0.0043664000000000 ] - [ -0.0000838000000000, 0.0000730100000000, 0.0000551400000000 ] - [ 0.0015891500000000, -0.0003077800000000, -0.0048021200000000 ] - [ -0.0000626500000000, 0.0000602300000000, -0.0001073300000000 ] - [ 0.0003457700000000, 0.0003394800000000, -0.0008744500000000 ] - [ -0.0000977300000000, 0.0000747500000000, -0.0000591800000000 ] - [ -0.0014262600000000, -0.0032002000000000, -0.0003131200000000 ] - [ 0.0001885800000000, -0.0000365100000000, 0.0000294400000000 ] - [ -0.0014412600000000, 0.0035594700000000, -0.0003080300000000 ] - [ 0.0001713400000000, 0.0001519300000000, 0.0000452800000000 ] - [ 0.0003900100000000, -0.0018492600000000, 0.0010706000000000 ] - [ 0.0000659700000000, -0.0002848700000000, -0.0004498900000000 ] - [ 0.0005335100000000, 0.0017577700000000, 0.0007516000000000 ] - [ -0.0000013700000000, 0.0001412100000000, -0.0005170600000000 ] - [ 0.0000423500000000, -0.0001005200000000, 0.0005552700000000 ] - [ -0.0032908700000000, -0.0004938800000000, -0.0016170800000000 ] - [ 0.0001553800000000, -0.0000228700000000, 0.0004599700000000 ] - [ -0.0009716100000000, 0.0001470300000000, 0.0002312600000000 ]- atom: 89 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ 0.0041210000000000, 0.0033080700000000, 0.0026547000000000 ] - [ -0.0008708200000000, -0.0002650700000000, 0.0004466200000000 ] - [ 0.0036194400000000, -0.0019117500000000, 0.0032751500000000 ] - [ -0.0008850800000000, -0.0000887100000000, 0.0004444100000000 ] - [ -0.0011213500000000, -0.0001062500000000, 0.0000655500000000 ] - [ -0.0062963000000000, -0.0010587800000000, 0.0084356500000000 ] - [ -0.0007030200000000, -0.0001166800000000, 0.0000659400000000 ] - [ 0.0006106600000000, -0.0001049400000000, -0.0001322700000000 ] - [ 0.0034064100000000, 0.0044008000000000, -0.0001289800000000 ] - [ -0.0007344900000000, 0.0004511600000000, 0.0004351300000000 ] - [ 0.0234820100000000, 0.0229584600000000, -0.0087413400000000 ] - [ -0.0010233200000000, 0.0007774100000000, 0.0004171500000000 ] - [ -0.0020324000000000, 0.0005293900000000, -0.0006705100000000 ] - [ -0.0082879200000000, -0.0057174800000000, -0.0018864700000000 ] - [ -0.0011849900000000, 0.0001363000000000, -0.0005641900000000 ] - [ 0.0004574200000000, 0.0015548800000000, -0.0004370700000000 ] - [ 0.0234736800000000, -0.0162752300000000, -0.0162157700000000 ] - [ -0.0005704300000000, -0.0004271800000000, -0.0001473100000000 ] - [ 0.0034559900000000, -0.0045614600000000, 0.0003729800000000 ] - [ -0.0002347000000000, -0.0000795900000000, -0.0001689100000000 ] - [ -0.0024707500000000, -0.0000706700000000, 0.0001499500000000 ] - [ -0.0092135200000000, 0.0060152300000000, 0.0003485800000000 ] - [ -0.0017419800000000, 0.0004510100000000, 0.0002215600000000 ] - [ -0.0000525100000000, -0.0012638400000000, 0.0003604000000000 ] - [ 0.0105342500000000, -0.0024386100000000, -0.0035364500000000 ] - [ -0.0024444000000000, 0.0000412600000000, 0.0000713700000000 ] - [ 0.0100346700000000, 0.0013744200000000, -0.0020963200000000 ] - [ -0.0024097300000000, 0.0000394000000000, 0.0000623500000000 ] - [ -0.0020372000000000, -0.0000705300000000, 0.0005659600000000 ] - [ 0.0671782500000000, -0.0055992400000000, 0.0222836600000000 ] - [ -0.0013314000000000, -0.0000189900000000, 0.0004451200000000 ] - [ 0.0031580600000000, -0.0001087400000000, -0.0000465600000000 ] - [ 0.0010750100000000, 0.0006522800000000, -0.0003208400000000 ] - [ -0.0010897600000000, -0.0001033600000000, 0.0004458300000000 ] - [ 0.0005122100000000, -0.0002189500000000, 0.0004436800000000 ] - [ -0.0007141800000000, 0.0001067500000000, 0.0002875900000000 ] - [ -0.0005608500000000, 0.0004149200000000, -0.0002192300000000 ] - [ -0.0000933100000000, -0.0006637200000000, -0.0003949300000000 ] - [ -0.0007151400000000, -0.0004094400000000, -0.0005779300000000 ] - [ -0.0003441700000000, 0.0012426900000000, 0.0006706400000000 ] - [ -0.0000108200000000, 0.0004967800000000, 0.0001351900000000 ] - [ -0.0016786000000000, 0.0000631900000000, -0.0001376300000000 ] - [ 0.0003631300000000, -0.0011359100000000, -0.0009777200000000 ] - [ -0.0019397400000000, 0.0005111500000000, 0.0000256800000000 ] - [ 0.0000652000000000, 0.0007533700000000, -0.0000058100000000 ] - [ 0.0005682100000000, -0.0011005800000000, 0.0008742700000000 ] - [ 0.0003806500000000, -0.0002577400000000, 0.0001008500000000 ] - [ 0.0010416700000000, 0.0011030400000000, 0.0001317800000000 ] - [ -0.0005394700000000, -0.0001015800000000, 0.0004173000000000 ] - [ -0.0009066600000000, -0.0010065100000000, -0.0000342200000000 ] - [ -0.0005785100000000, -0.0011358500000000, 0.0003705700000000 ] - [ -0.0008573600000000, -0.0001498500000000, 0.0000519900000000 ] - [ 0.0000877200000000, -0.0006356400000000, -0.0030672400000000 ] - [ -0.0029508400000000, -0.0003647700000000, 0.0007296400000000 ] - [ 0.0005330100000000, -0.0005775200000000, -0.0003063900000000 ] - [ -0.0012577400000000, -0.0004838200000000, 0.0002558800000000 ] - [ -0.0008943700000000, 0.0007754400000000, -0.0003071600000000 ] - [ 0.0004671100000000, -0.0005094400000000, -0.0003148700000000 ] - [ -0.0008896500000000, 0.0003218500000000, -0.0002093400000000 ] - [ 0.0001500100000000, 0.0013251700000000, -0.0006368500000000 ] - [ 0.0042826000000000, -0.0001192300000000, 0.0017278500000000 ] - [ -0.0016017200000000, 0.0001559500000000, -0.0007764100000000 ] - [ 0.0013983700000000, 0.0007176400000000, 0.0000449200000000 ] - [ -0.0010660100000000, 0.0002140600000000, -0.0006072200000000 ] - [ -0.0011238800000000, 0.0013257600000000, 0.0089286500000000 ] - [ 0.0033083300000000, 0.0002471100000000, -0.0004624400000000 ] - [ -0.0015648100000000, 0.0000421200000000, -0.0005212800000000 ] - [ 0.0019319400000000, 0.0005750400000000, -0.0000309900000000 ] - [ 0.0014135800000000, -0.0005407600000000, 0.0002434600000000 ] - [ 0.0007777900000000, 0.0021606200000000, -0.0000286500000000 ] - [ 0.0014912300000000, 0.0010072100000000, 0.0004257700000000 ] - [ 0.0008677300000000, -0.0011464000000000, -0.0005011700000000 ] - [ -0.0210004500000000, -0.0122241600000000, 0.0016902700000000 ] - [ 0.0022917200000000, 0.0001232200000000, 0.0002822100000000 ] - [ -0.0186553900000000, 0.0096956000000000, -0.0030568100000000 ] - [ 0.0022722400000000, -0.0005770100000000, 0.0003372800000000 ] - [ 0.0034925900000000, -0.0000088900000000, -0.0008047200000000 ] - [ 0.0350712100000000, 0.0018541000000000, -0.0106207800000000 ] - [ 0.0023227300000000, -0.0001643000000000, -0.0008171100000000 ] - [ -0.0028707200000000, -0.0000903500000000, -0.0004926600000000 ] - [ 0.0020048200000000, -0.0003947800000000, 0.0005846600000000 ] - [ 0.0026866200000000, -0.0014471600000000, -0.0028020200000000 ] - [ 0.0004618900000000, -0.0007444200000000, 0.0001269400000000 ] - [ 0.0002711100000000, -0.0003291800000000, 0.0004646500000000 ] - [ -0.0004558500000000, -0.0013815600000000, -0.0010377500000000 ] - [ 0.0012745800000000, -0.0002884100000000, -0.0003586600000000 ] - [ -0.0003520800000000, 0.0002229200000000, -0.0004794600000000 ] - [ 0.0012257900000000, -0.0007758600000000, -0.0004110500000000 ] - [ -0.1240224900000000, 0.0022431500000000, 0.0011507500000000 ] - [ 0.0020365400000000, -0.0000489500000000, 0.0002292700000000 ] - [ -0.0031202900000000, -0.0000315100000000, 0.0006224800000000 ] - [ 0.0015524000000000, -0.0000350900000000, 0.0001184000000000 ] - [ 0.0014292500000000, -0.0004549500000000, 0.0001295000000000 ] - [ -0.0016403000000000, 0.0048888900000000, 0.0016545400000000 ] - [ 0.0014288300000000, 0.0004617600000000, 0.0000884700000000 ] - [ -0.0016399100000000, -0.0056085000000000, 0.0022351800000000 ] - [ 0.0031236400000000, 0.0003442700000000, -0.0031394800000000 ] - [ 0.0014938300000000, -0.0000268500000000, 0.0006808400000000 ] - [ 0.0001582500000000, 0.0000186600000000, -0.0001887800000000 ] - [ 0.0004498100000000, 0.0000995100000000, -0.0000101500000000 ] - [ 0.0019130000000000, -0.0023627300000000, 0.0011050700000000 ] - [ 0.0012992700000000, 0.0008182200000000, -0.0001806100000000 ] - [ 0.0014501800000000, 0.0019929200000000, 0.0008793300000000 ] - [ 0.0012077300000000, -0.0006684600000000, -0.0001902400000000 ] - [ 0.0010943700000000, -0.0001137400000000, -0.0004936600000000 ] - [ -0.0018511800000000, 0.0023955300000000, -0.0022173800000000 ] - [ 0.0010996000000000, -0.0000108900000000, -0.0004877800000000 ] - [ -0.0019127700000000, -0.0025609000000000, -0.0021138400000000 ] - [ -0.0030968100000000, 0.0000709000000000, 0.0038741300000000 ] - [ 0.0010675400000000, -0.0000532700000000, 0.0004249000000000 ] - [ -0.0016263700000000, -0.0000659800000000, 0.0005351300000000 ] - [ 0.0008416300000000, -0.0000668600000000, 0.0004657100000000 ]- atom: 89 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ -0.0041014300000000, -0.0036038900000000, -0.0025689600000000 ] - [ 0.0008789800000000, -0.0000340800000000, -0.0003673200000000 ] - [ -0.0036014200000000, 0.0016081800000000, -0.0031825800000000 ] - [ 0.0008929700000000, -0.0002093500000000, -0.0003659900000000 ] - [ 0.0011101500000000, -0.0001919100000000, -0.0001414100000000 ] - [ 0.0062380200000000, 0.0007615100000000, -0.0084809800000000 ] - [ 0.0006903200000000, -0.0001814700000000, -0.0001433600000000 ] - [ -0.0006196900000000, -0.0001928700000000, 0.0000522400000000 ] - [ -0.0028317400000000, -0.0035560800000000, 0.0012762600000000 ] - [ 0.0012978700000000, 0.0003733300000000, 0.0007183900000000 ] - [ -0.0229825700000000, -0.0228581100000000, 0.0101928200000000 ] - [ 0.0015862000000000, 0.0000467700000000, 0.0007371500000000 ] - [ 0.0014680200000000, 0.0002934700000000, -0.0004831500000000 ] - [ 0.0077205500000000, 0.0065502900000000, 0.0007187700000000 ] - [ 0.0006122100000000, 0.0006892300000000, -0.0005895300000000 ] - [ -0.0010215000000000, -0.0007285300000000, -0.0007147700000000 ] - [ -0.0220379100000000, 0.0169197900000000, 0.0163998500000000 ] - [ 0.0020796900000000, 0.0004648200000000, -0.0001129200000000 ] - [ -0.0019327500000000, 0.0045692700000000, -0.0006309600000000 ] - [ 0.0017466900000000, 0.0001219000000000, -0.0000904700000000 ] - [ 0.0009592000000000, 0.0001141600000000, 0.0001097600000000 ] - [ 0.0077068200000000, -0.0059802000000000, -0.0001081200000000 ] - [ 0.0002233600000000, -0.0004115600000000, 0.0000386500000000 ] - [ -0.0014580900000000, 0.0013026000000000, -0.0000983800000000 ] - [ -0.0114385200000000, 0.0024216300000000, 0.0030852000000000 ] - [ 0.0014943200000000, -0.0000534000000000, -0.0005159500000000 ] - [ -0.0109467600000000, -0.0013815400000000, 0.0016465900000000 ] - [ 0.0014583900000000, -0.0000501200000000, -0.0005064200000000 ] - [ 0.0029866500000000, 0.0000594200000000, -0.0001212000000000 ] - [ -0.0616503600000000, 0.0052093300000000, -0.0204072100000000 ] - [ 0.0022754100000000, 0.0000078400000000, 0.0000012500000000 ] - [ -0.0022021400000000, 0.0000969000000000, 0.0004917300000000 ] - [ -0.0012155100000000, -0.0006153800000000, 0.0008632000000000 ] - [ 0.0009667900000000, 0.0001361600000000, 0.0001214400000000 ] - [ -0.0006353200000000, 0.0002515200000000, 0.0001234300000000 ] - [ 0.0005928200000000, -0.0000726700000000, 0.0002774700000000 ] - [ 0.0006754000000000, -0.0003812300000000, -0.0003440300000000 ] - [ 0.0002127900000000, 0.0006962800000000, -0.0001697400000000 ] - [ 0.0008302800000000, 0.0004475400000000, 0.0000157000000000 ] - [ 0.0004623200000000, -0.0012040400000000, -0.0012301400000000 ] - [ -0.0018842500000000, -0.0000966600000000, -0.0003172900000000 ] - [ -0.0002147600000000, 0.0003339400000000, -0.0000438600000000 ] - [ -0.0022735600000000, 0.0015173900000000, 0.0007815900000000 ] - [ 0.0000452700000000, -0.0001106400000000, -0.0002057100000000 ] - [ 0.0018220900000000, -0.0003605900000000, 0.0001882600000000 ] - [ 0.0013210300000000, 0.0014954200000000, -0.0006907600000000 ] - [ 0.0015058200000000, 0.0006566500000000, 0.0000807700000000 ] - [ 0.0008495700000000, -0.0007024600000000, 0.0000503300000000 ] - [ 0.0007356000000000, -0.0009762400000000, -0.0004675300000000 ] - [ 0.0011103400000000, -0.0000711300000000, -0.0000184000000000 ] - [ 0.0007748500000000, 0.0000610100000000, -0.0004219100000000 ] - [ 0.0010619000000000, -0.0009247600000000, -0.0001040300000000 ] - [ -0.0003352400000000, -0.0004392200000000, 0.0031511900000000 ] - [ 0.0027425700000000, -0.0007109200000000, -0.0006745800000000 ] - [ -0.0007459600000000, -0.0004998500000000, 0.0003595900000000 ] - [ 0.0010517000000000, -0.0005934300000000, -0.0002033800000000 ] - [ 0.0010355300000000, 0.0000041100000000, 0.0006262600000000 ] - [ -0.0003165100000000, 0.0012865100000000, 0.0006363500000000 ] - [ 0.0010308800000000, 0.0004603100000000, 0.0005275700000000 ] - [ -0.0000003200000000, -0.0005435600000000, 0.0009593700000000 ] - [ -0.0044239300000000, 0.0008317100000000, -0.0015228100000000 ] - [ 0.0014491500000000, 0.0006246000000000, 0.0004564500000000 ] - [ -0.0015471800000000, 0.0000636000000000, -0.0003679300000000 ] - [ 0.0009172000000000, 0.0005678200000000, 0.0002873900000000 ] - [ 0.0014510400000000, -0.0005922600000000, -0.0091220900000000 ] - [ -0.0030865000000000, 0.0004861800000000, 0.0002649200000000 ] - [ 0.0017902400000000, 0.0006928900000000, 0.0003223500000000 ] - [ -0.0017154100000000, 0.0001600800000000, -0.0001655600000000 ] - [ -0.0016263700000000, 0.0012813600000000, -0.0000475800000000 ] - [ -0.0010002600000000, -0.0014193600000000, 0.0002248600000000 ] - [ -0.0017032000000000, -0.0002754400000000, -0.0002308400000000 ] - [ -0.0010911500000000, 0.0018776800000000, 0.0006951500000000 ] - [ 0.0205688000000000, 0.0118579700000000, -0.0004018800000000 ] - [ -0.0026430000000000, -0.0003839900000000, 0.0010525200000000 ] - [ 0.0182149000000000, -0.0098417700000000, 0.0043252600000000 ] - [ -0.0026250400000000, 0.0003125000000000, 0.0009961500000000 ] - [ -0.0031501400000000, -0.0002547200000000, -0.0005316600000000 ] - [ -0.0344587000000000, -0.0021514500000000, 0.0094112700000000 ] - [ -0.0019695300000000, -0.0000994700000000, -0.0005169900000000 ] - [ 0.0032119700000000, -0.0001737500000000, -0.0008379600000000 ] - [ -0.0020377100000000, -0.0007445900000000, -0.0000830700000000 ] - [ -0.0027039600000000, 0.0003035000000000, 0.0032894700000000 ] - [ -0.0004863500000000, -0.0003928300000000, 0.0003784600000000 ] - [ -0.0003005200000000, -0.0008077200000000, 0.0000416000000000 ] - [ 0.0004859900000000, 0.0002366800000000, 0.0005309100000000 ] - [ -0.0012506000000000, -0.0008514500000000, -0.0001469200000000 ] - [ 0.0003829500000000, -0.0013603100000000, -0.0000256700000000 ] - [ -0.0012018400000000, -0.0003652200000000, -0.0000946100000000 ] - [ 0.1199651200000000, -0.0016688900000000, -0.0040959300000000 ] - [ -0.0016520800000000, 0.0000203500000000, -0.0004106700000000 ] - [ 0.0034841700000000, 0.0000037500000000, -0.0007988400000000 ] - [ -0.0011802100000000, 0.0000065200000000, -0.0003006500000000 ] - [ -0.0018039600000000, 0.0004321400000000, 0.0000546200000000 ] - [ 0.0012631800000000, -0.0049015800000000, -0.0014671400000000 ] - [ -0.0018033000000000, -0.0004920500000000, 0.0000963400000000 ] - [ 0.0012626200000000, 0.0055697600000000, -0.0020474200000000 ] - [ -0.0033138100000000, -0.0002182700000000, 0.0031105800000000 ] - [ -0.0016727600000000, 0.0001536000000000, -0.0007401200000000 ] - [ -0.0003333000000000, 0.0001097700000000, 0.0001289400000000 ] - [ -0.0006304000000000, 0.0000287200000000, -0.0000492900000000 ] - [ -0.0017392400000000, 0.0025115700000000, -0.0010511400000000 ] - [ -0.0011218300000000, -0.0006876100000000, 0.0002407300000000 ] - [ -0.0012706300000000, -0.0018778100000000, -0.0008212000000000 ] - [ -0.0010308500000000, 0.0007946500000000, 0.0002503700000000 ] - [ -0.0009808500000000, -0.0000097800000000, -0.0005094500000000 ] - [ 0.0019487000000000, -0.0025150200000000, 0.0012111400000000 ] - [ -0.0009857800000000, -0.0001140600000000, -0.0005154100000000 ] - [ 0.0020101800000000, 0.0024328100000000, 0.0011077700000000 ] - [ 0.0029629500000000, -0.0001958100000000, -0.0028686600000000 ] - [ -0.0011838400000000, -0.0000709700000000, 0.0005786200000000 ] - [ 0.0015054800000000, -0.0000578400000000, 0.0004676400000000 ] - [ -0.0009574900000000, -0.0000575200000000, 0.0005378200000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010741700000000, -0.0047710600000000, -0.0069313800000000 ] - [ 0.0000200900000000, -0.0001520400000000, 0.0001183400000000 ] - [ 0.0014217100000000, -0.0033745500000000, 0.0091799600000000 ] - [ 0.0000183600000000, -0.0001374700000000, 0.0000836100000000 ] - [ 0.0000869000000000, 0.0003177800000000, -0.0001833700000000 ] - [ 0.0001458600000000, 0.0010372800000000, -0.0009203000000000 ] - [ -0.0000327900000000, -0.0005816800000000, -0.0001004100000000 ] - [ 0.0000480300000000, -0.0010690100000000, 0.0000044800000000 ] - [ 0.0012123300000000, -0.0090962600000000, 0.0022515300000000 ] - [ 0.0003113100000000, 0.0003736400000000, 0.0005680300000000 ] - [ 0.0270607700000000, 0.0378785600000000, -0.0122710400000000 ] - [ 0.0003106000000000, 0.0005323300000000, 0.0005409600000000 ] - [ 0.0004006200000000, 0.0013529900000000, -0.0004888100000000 ] - [ 0.0010415300000000, 0.0031811100000000, -0.0000331000000000 ] - [ -0.0007982200000000, -0.0003531300000000, -0.0005708300000000 ] - [ 0.0000723200000000, -0.0012950500000000, -0.0011953600000000 ] - [ -0.0210470400000000, 0.0265917700000000, 0.0202681800000000 ] - [ 0.0008112200000000, 0.0000876200000000, -0.0001356100000000 ] - [ 0.0004045900000000, -0.0111630200000000, -0.0002473800000000 ] - [ 0.0007682300000000, -0.0001193900000000, -0.0001598500000000 ] - [ -0.0015860900000000, 0.0009227300000000, 0.0001679000000000 ] - [ -0.0009255900000000, 0.0016758000000000, -0.0000641800000000 ] - [ -0.0001582600000000, -0.0009089700000000, 0.0000785200000000 ] - [ -0.0012196600000000, -0.0017533200000000, 0.0006378300000000 ] - [ -0.0074667500000000, -0.0053774800000000, -0.0023280400000000 ] - [ -0.0002014100000000, 0.0000044500000000, -0.0002110500000000 ] - [ 0.0073832400000000, -0.0055373700000000, 0.0016430300000000 ] - [ -0.0005629700000000, -0.0000201900000000, -0.0002534100000000 ] - [ 0.0004225500000000, 0.0003663000000000, 0.0002348300000000 ] - [ -0.0051697300000000, 0.0012211900000000, -0.0020042300000000 ] - [ 0.0004580700000000, -0.0003027700000000, 0.0002208700000000 ] - [ 0.0002609700000000, -0.0027760400000000, 0.0003308800000000 ] - [ 0.0006401200000000, 0.0015946500000000, -0.0003508400000000 ] - [ -0.0000563900000000, 0.0002078700000000, 0.0001726000000000 ] - [ -0.0002768800000000, -0.0019558700000000, 0.0012983500000000 ] - [ -0.0000183200000000, -0.0001073400000000, 0.0003407800000000 ] - [ 0.0005878800000000, -0.0002779800000000, -0.0003080400000000 ] - [ -0.0005584500000000, -0.0001449700000000, -0.0004345400000000 ] - [ -0.0003647800000000, 0.0004433500000000, -0.0002204100000000 ] - [ 0.0006032200000000, 0.0002476400000000, -0.0001108800000000 ] - [ -0.0004653600000000, -0.0024424200000000, -0.0004894100000000 ] - [ -0.0009432600000000, -0.0000029000000000, -0.0001448100000000 ] - [ -0.0008629200000000, 0.0046881900000000, 0.0003478000000000 ] - [ -0.0008933700000000, 0.0003237600000000, -0.0000779900000000 ] - [ 0.0012486400000000, 0.0008198100000000, -0.0000345500000000 ] - [ 0.0007159400000000, 0.0008890700000000, -0.0001230800000000 ] - [ 0.0006616600000000, -0.0004508600000000, 0.0002951600000000 ] - [ 0.0011188800000000, -0.0005365900000000, 0.0003027900000000 ] - [ 0.0018148900000000, -0.0004783000000000, -0.0006999600000000 ] - [ -0.0005415000000000, -0.0003978600000000, 0.0000102900000000 ] - [ -0.0013044400000000, -0.0006702200000000, 0.0006164600000000 ] - [ 0.0007867600000000, -0.0006670700000000, -0.0000302600000000 ] - [ 0.0009010500000000, 0.0014074500000000, 0.0000083900000000 ] - [ -0.0000702600000000, -0.0003817800000000, -0.0000069500000000 ] - [ -0.0000017900000000, -0.0018753100000000, -0.0000165600000000 ] - [ -0.0001459700000000, -0.0006985300000000, 0.0000258000000000 ] - [ 0.0006059200000000, 0.0003426300000000, 0.0003026500000000 ] - [ -0.0012941600000000, 0.0005261800000000, -0.0010460300000000 ] - [ -0.0003929400000000, 0.0004312300000000, 0.0000431500000000 ] - [ 0.0012518800000000, 0.0003349300000000, 0.0012349500000000 ] - [ -0.0002361800000000, 0.0064222100000000, -0.0134754500000000 ] - [ 0.0000038400000000, 0.0004866600000000, -0.0001179800000000 ] - [ -0.0003615200000000, -0.0016000200000000, -0.0005327800000000 ] - [ -0.0000604700000000, 0.0003122700000000, -0.0001388700000000 ] - [ -0.0019366800000000, -0.0056551800000000, 0.0010027900000000 ] - [ 0.0000213000000000, 0.0001036600000000, -0.0000333800000000 ] - [ 0.0000935000000000, 0.0043050700000000, -0.0002651600000000 ] - [ 0.0001059600000000, 0.0006296900000000, -0.0001509800000000 ] - [ -0.0017999900000000, -0.0002768900000000, 0.0004968800000000 ] - [ 0.0011966700000000, -0.0007005000000000, 0.0006693900000000 ] - [ 0.0013015900000000, 0.0009048200000000, -0.0002795000000000 ] - [ -0.0013282000000000, 0.0013664800000000, -0.0004745800000000 ] - [ 0.0040500700000000, 0.0326163200000000, 0.0135933800000000 ] - [ -0.0003746700000000, -0.0001602100000000, 0.0006431500000000 ] - [ -0.0092642800000000, 0.0320717200000000, -0.0178475100000000 ] - [ -0.0000750400000000, -0.0001149200000000, 0.0006740800000000 ] - [ 0.0001777100000000, -0.0020921200000000, -0.0006903200000000 ] - [ -0.0014840500000000, -0.0025452700000000, 0.0005189900000000 ] - [ 0.0001604200000000, 0.0014586400000000, -0.0005953700000000 ] - [ 0.0004289700000000, 0.0028893700000000, -0.0005743200000000 ] - [ -0.0001492700000000, -0.0014360200000000, 0.0002966300000000 ] - [ -0.0000696300000000, -0.0012945700000000, 0.0003984500000000 ] - [ -0.0000757100000000, 0.0003396500000000, 0.0002319200000000 ] - [ 0.0000150300000000, 0.0002127100000000, 0.0002066000000000 ] - [ -0.0018047700000000, -0.0009593600000000, 0.0027336500000000 ] - [ 0.0002307600000000, -0.0006326100000000, -0.0001690700000000 ] - [ 0.0021202600000000, 0.0005229100000000, -0.0032566300000000 ] - [ -0.0002335500000000, -0.0005088100000000, -0.0003369300000000 ] - [ 0.0037032800000000, -0.1054300200000000, 0.0082538200000000 ] - [ 0.0001571900000000, -0.0001394900000000, -0.0000916500000000 ] - [ 0.0001697900000000, 0.0071746500000000, 0.0004801200000000 ] - [ 0.0001701900000000, 0.0001208800000000, -0.0000854300000000 ] - [ -0.0006676500000000, 0.0000365800000000, 0.0000234800000000 ] - [ 0.0054197800000000, -0.0000475400000000, 0.0007422900000000 ] - [ 0.0002528200000000, 0.0000382900000000, 0.0000677800000000 ] - [ -0.0050721800000000, -0.0000327400000000, -0.0006513600000000 ] - [ 0.0000861000000000, -0.0035781800000000, -0.0003348100000000 ] - [ -0.0001663700000000, -0.0001848000000000, -0.0000677400000000 ] - [ -0.0001377200000000, 0.0017861200000000, -0.0000673500000000 ] - [ -0.0000681800000000, 0.0003454600000000, -0.0000311800000000 ] - [ -0.0028932800000000, 0.0013497200000000, -0.0016030900000000 ] - [ 0.0002549500000000, -0.0000112600000000, 0.0000244100000000 ] - [ 0.0028210800000000, 0.0015299500000000, 0.0018113800000000 ] - [ -0.0001334000000000, 0.0001111700000000, 0.0000641400000000 ] - [ -0.0001046000000000, -0.0000591300000000, -0.0004866200000000 ] - [ 0.0024001400000000, 0.0019158700000000, -0.0030797300000000 ] - [ 0.0001777600000000, -0.0000610100000000, -0.0005027700000000 ] - [ -0.0021335300000000, 0.0016902100000000, 0.0021124500000000 ] - [ 0.0001555800000000, -0.0030480000000000, 0.0002767200000000 ] - [ -0.0000930900000000, -0.0002220900000000, 0.0004933900000000 ] - [ -0.0000436900000000, 0.0020250500000000, 0.0004862300000000 ] - [ -0.0000697000000000, 0.0001010500000000, 0.0005029900000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011216600000000, 0.0045013700000000, 0.0071537800000000 ] - [ -0.0000069400000000, -0.0001324500000000, 0.0001099800000000 ] - [ -0.0013924000000000, 0.0030949800000000, -0.0089695700000000 ] - [ -0.0000048800000000, -0.0001482400000000, 0.0001438400000000 ] - [ -0.0001039700000000, -0.0006020600000000, -0.0000442600000000 ] - [ -0.0001336100000000, -0.0013171800000000, 0.0006694700000000 ] - [ 0.0000184000000000, 0.0002972200000000, -0.0001274300000000 ] - [ -0.0000668100000000, 0.0007835200000000, -0.0002267200000000 ] - [ -0.0006377800000000, 0.0100343800000000, -0.0011851200000000 ] - [ 0.0002401500000000, 0.0005557600000000, 0.0005199600000000 ] - [ -0.0280384500000000, -0.0392052700000000, 0.0145744100000000 ] - [ 0.0002404100000000, 0.0003967700000000, 0.0005465300000000 ] - [ -0.0009546800000000, -0.0004217800000000, -0.0005988400000000 ] - [ -0.0015737300000000, -0.0022246200000000, -0.0010469600000000 ] - [ 0.0002448700000000, 0.0012810800000000, -0.0005183100000000 ] - [ -0.0006325000000000, 0.0022216100000000, 0.0001069000000000 ] - [ 0.0215357300000000, -0.0254294200000000, -0.0193190700000000 ] - [ 0.0006842200000000, -0.0001639300000000, -0.0001687300000000 ] - [ 0.0011123100000000, 0.0110435800000000, -0.0000642200000000 ] - [ 0.0007268300000000, 0.0000423000000000, -0.0001439500000000 ] - [ 0.0000889500000000, -0.0010015300000000, 0.0001359800000000 ] - [ -0.0005464200000000, -0.0017791700000000, 0.0003694200000000 ] - [ -0.0013353700000000, 0.0008292000000000, 0.0002252700000000 ] - [ -0.0002831800000000, 0.0016757000000000, -0.0003334300000000 ] - [ 0.0066524000000000, 0.0053440000000000, 0.0018119300000000 ] - [ -0.0006133000000000, -0.0000220600000000, -0.0002644800000000 ] - [ -0.0082128300000000, 0.0055366600000000, -0.0021470000000000 ] - [ -0.0002527500000000, 0.0000010200000000, -0.0002221200000000 ] - [ 0.0003908600000000, -0.0003849500000000, 0.0002412800000000 ] - [ 0.0055356300000000, -0.0011090300000000, 0.0022830900000000 ] - [ 0.0003579200000000, 0.0002851900000000, 0.0002531500000000 ] - [ 0.0005465500000000, 0.0027547800000000, 0.0001481600000000 ] - [ -0.0007555600000000, -0.0014909600000000, 0.0008228300000000 ] - [ -0.0000463800000000, -0.0001112000000000, 0.0003270300000000 ] - [ 0.0001770800000000, 0.0020499400000000, -0.0007973600000000 ] - [ -0.0000852500000000, 0.0002037400000000, 0.0001589100000000 ] - [ -0.0004857100000000, 0.0003784400000000, -0.0001897300000000 ] - [ 0.0006571500000000, 0.0002464200000000, -0.0000651500000000 ] - [ 0.0004648800000000, -0.0003498100000000, -0.0002818100000000 ] - [ -0.0005026800000000, -0.0001545800000000, -0.0003916600000000 ] - [ -0.0013937200000000, 0.0027450500000000, 0.0002794900000000 ] - [ -0.0009199900000000, 0.0003050100000000, -0.0000682800000000 ] - [ -0.0010002600000000, -0.0044140600000000, -0.0005688700000000 ] - [ -0.0009689400000000, -0.0000236300000000, -0.0001362600000000 ] - [ 0.0006113100000000, -0.0005131100000000, 0.0002447400000000 ] - [ 0.0011472400000000, -0.0005796000000000, 0.0003320100000000 ] - [ 0.0012004700000000, 0.0007515100000000, -0.0000831800000000 ] - [ 0.0007411600000000, 0.0008348600000000, -0.0000904000000000 ] - [ -0.0015223500000000, -0.0005857000000000, 0.0006333200000000 ] - [ 0.0008323800000000, -0.0006668400000000, -0.0000772200000000 ] - [ 0.0016001500000000, -0.0003992800000000, -0.0006848300000000 ] - [ -0.0004950800000000, -0.0004016500000000, -0.0000370900000000 ] - [ -0.0012211500000000, -0.0024803800000000, 0.0000444000000000 ] - [ -0.0002204600000000, -0.0006861300000000, 0.0000719500000000 ] - [ -0.0002876200000000, 0.0008078100000000, 0.0000830700000000 ] - [ -0.0001507300000000, -0.0003691500000000, 0.0000406200000000 ] - [ -0.0005253200000000, 0.0004616200000000, -0.0000512400000000 ] - [ 0.0013674700000000, 0.0002820300000000, 0.0012912500000000 ] - [ 0.0004741800000000, 0.0003704100000000, 0.0002105400000000 ] - [ -0.0011739600000000, 0.0004640600000000, -0.0009852000000000 ] - [ 0.0002733600000000, -0.0058450800000000, 0.0135717800000000 ] - [ -0.0000857000000000, 0.0003173300000000, -0.0001360000000000 ] - [ 0.0002842800000000, 0.0024061000000000, 0.0002825500000000 ] - [ -0.0000244900000000, 0.0004905400000000, -0.0001159600000000 ] - [ 0.0021918700000000, 0.0064393700000000, -0.0011105400000000 ] - [ 0.0001839700000000, 0.0006327700000000, -0.0001631600000000 ] - [ 0.0001063400000000, -0.0035701300000000, 0.0000613000000000 ] - [ 0.0001038900000000, 0.0001049900000000, -0.0000486500000000 ] - [ 0.0015917500000000, 0.0010060000000000, -0.0002990400000000 ] - [ -0.0013985300000000, 0.0014220600000000, -0.0004690000000000 ] - [ -0.0015103800000000, -0.0001653900000000, 0.0004807100000000 ] - [ 0.0011242200000000, -0.0006264900000000, 0.0006757800000000 ] - [ -0.0046021600000000, -0.0327097500000000, -0.0120330000000000 ] - [ 0.0000277200000000, -0.0001054600000000, 0.0006849800000000 ] - [ 0.0087537300000000, -0.0325331600000000, 0.0193373500000000 ] - [ -0.0002721300000000, -0.0001467400000000, 0.0006531400000000 ] - [ 0.0001707800000000, 0.0018287500000000, -0.0006418300000000 ] - [ 0.0017619100000000, 0.0022739900000000, -0.0018461900000000 ] - [ 0.0001855300000000, -0.0017229700000000, -0.0007335200000000 ] - [ -0.0000644900000000, -0.0031502700000000, -0.0007607000000000 ] - [ 0.0001294600000000, 0.0002999400000000, 0.0002141700000000 ] - [ 0.0000339400000000, 0.0001606400000000, 0.0001191500000000 ] - [ 0.0000431300000000, -0.0014778500000000, 0.0002746200000000 ] - [ -0.0000400300000000, -0.0013502700000000, 0.0002990600000000 ] - [ 0.0018298700000000, -0.0001954800000000, -0.0032407700000000 ] - [ -0.0002009400000000, -0.0005092700000000, -0.0003410600000000 ] - [ -0.0020972200000000, -0.0016576600000000, 0.0027550200000000 ] - [ 0.0002633800000000, -0.0006297400000000, -0.0001727800000000 ] - [ -0.0002024100000000, 0.1065600500000000, -0.0112629200000000 ] - [ 0.0002238100000000, 0.0001133600000000, -0.0000845300000000 ] - [ 0.0002010200000000, -0.0071958500000000, -0.0006575300000000 ] - [ 0.0002095400000000, -0.0001463800000000, -0.0000899800000000 ] - [ 0.0002878800000000, -0.0000620500000000, 0.0001520000000000 ] - [ -0.0057583300000000, 0.0000109600000000, -0.0005610400000000 ] - [ -0.0006327500000000, -0.0000602900000000, 0.0001075500000000 ] - [ 0.0047214800000000, 0.0000258600000000, 0.0008293600000000 ] - [ -0.0002527100000000, 0.0037096300000000, 0.0002742700000000 ] - [ -0.0000128600000000, 0.0003124400000000, 0.0000139100000000 ] - [ -0.0000426400000000, -0.0016581300000000, 0.0000157700000000 ] - [ -0.0001078000000000, -0.0002173200000000, -0.0000203900000000 ] - [ 0.0030600400000000, -0.0012265300000000, 0.0016514400000000 ] - [ -0.0000771000000000, 0.0001364100000000, 0.0000270300000000 ] - [ -0.0026522500000000, -0.0014006500000000, -0.0017613300000000 ] - [ 0.0003113000000000, 0.0000194400000000, -0.0000125800000000 ] - [ 0.0002192800000000, -0.0000643900000000, -0.0005184300000000 ] - [ -0.0022675800000000, -0.0020331300000000, 0.0020490900000000 ] - [ -0.0000631200000000, -0.0000608400000000, -0.0005023300000000 ] - [ 0.0022640300000000, -0.0018147400000000, -0.0031395000000000 ] - [ -0.0002790600000000, 0.0029247000000000, 0.0007142100000000 ] - [ -0.0000214600000000, 0.0000996300000000, 0.0005109800000000 ] - [ -0.0000717900000000, -0.0021474300000000, 0.0005215700000000 ] - [ -0.0000451700000000, -0.0002238100000000, 0.0005011400000000 ]- atom: 89 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ -0.0002811500000000, -0.0024329300000000, -0.0051285400000000 ] - [ -0.0001403700000000, -0.0001573300000000, -0.0000166900000000 ] - [ 0.0007522700000000, 0.0012687600000000, -0.0043344000000000 ] - [ -0.0001517300000000, -0.0001704000000000, -0.0000206200000000 ] - [ -0.0008863600000000, -0.0000919500000000, 0.0012674700000000 ] - [ 0.0009589300000000, -0.0006925700000000, 0.0041742300000000 ] - [ -0.0000988700000000, -0.0001755600000000, 0.0002726200000000 ] - [ 0.0001982200000000, -0.0003222700000000, 0.0010382600000000 ] - [ 0.0003035400000000, -0.0058386300000000, 0.0024741700000000 ] - [ 0.0001257300000000, 0.0003804100000000, 0.0005983600000000 ] - [ -0.0126434400000000, -0.0188435600000000, 0.0107959900000000 ] - [ 0.0000833800000000, 0.0003747200000000, 0.0006081600000000 ] - [ 0.0000911700000000, 0.0004770500000000, -0.0000121100000000 ] - [ -0.0021167400000000, -0.0000264000000000, -0.0000325600000000 ] - [ -0.0002294700000000, 0.0002845700000000, -0.0004985100000000 ] - [ -0.0007429400000000, 0.0005861500000000, -0.0002770400000000 ] - [ -0.0177339900000000, 0.0205586800000000, 0.0191896900000000 ] - [ 0.0005578000000000, 0.0000499200000000, -0.0000950600000000 ] - [ 0.0010550200000000, 0.0035274500000000, -0.0007568500000000 ] - [ 0.0005808100000000, 0.0000391700000000, -0.0001126500000000 ] - [ -0.0005847500000000, -0.0000472600000000, 0.0006515300000000 ] - [ -0.0029983500000000, 0.0007736400000000, 0.0009100500000000 ] - [ -0.0007674700000000, 0.0001708000000000, 0.0002793200000000 ] - [ -0.0012349900000000, -0.0002311200000000, 0.0006626600000000 ] - [ -0.0050114400000000, -0.0031467200000000, 0.0013098200000000 ] - [ -0.0008010200000000, 0.0000183600000000, -0.0001579600000000 ] - [ -0.0032162400000000, 0.0022563800000000, 0.0000474600000000 ] - [ -0.0008338200000000, -0.0000167500000000, -0.0001588100000000 ] - [ 0.0003167200000000, -0.0000156200000000, 0.0005378100000000 ] - [ 0.0222285100000000, -0.0019757000000000, 0.0084172100000000 ] - [ 0.0003990000000000, -0.0000009200000000, 0.0002476200000000 ] - [ -0.0004664900000000, -0.0002129300000000, 0.0009249600000000 ] - [ -0.0035727300000000, 0.0029054600000000, -0.0124170100000000 ] - [ -0.0002088300000000, 0.0000127000000000, 0.0002525200000000 ] - [ 0.0001951200000000, -0.0002878400000000, -0.0002140400000000 ] - [ -0.0001949600000000, -0.0000048000000000, 0.0002912600000000 ] - [ 0.0000473700000000, 0.0002233300000000, -0.0004287900000000 ] - [ 0.0003365800000000, -0.0000531500000000, -0.0009528900000000 ] - [ -0.0006189100000000, -0.0012754500000000, -0.0012180900000000 ] - [ 0.0002952000000000, -0.0001648000000000, -0.0009052900000000 ] - [ -0.0011818200000000, 0.0019340900000000, -0.0004771200000000 ] - [ -0.0010920200000000, 0.0002512300000000, -0.0000940600000000 ] - [ -0.0039254300000000, -0.0093604300000000, -0.0071313200000000 ] - [ -0.0010940200000000, 0.0002206600000000, -0.0001077200000000 ] - [ 0.0004936700000000, 0.0012237600000000, -0.0009977800000000 ] - [ 0.0008279200000000, 0.0002920300000000, -0.0004140800000000 ] - [ 0.0009297700000000, -0.0001911500000000, -0.0001602700000000 ] - [ 0.0008543700000000, 0.0003284100000000, -0.0002286600000000 ] - [ 0.0001168700000000, -0.0000725600000000, -0.0010627600000000 ] - [ -0.0002363200000000, -0.0005463100000000, -0.0002378700000000 ] - [ -0.0003663500000000, -0.0007548100000000, -0.0012505600000000 ] - [ -0.0002385700000000, -0.0005331500000000, -0.0002370300000000 ] - [ -0.0116257000000000, -0.0017467600000000, -0.0022667400000000 ] - [ -0.0001801500000000, -0.0005276800000000, 0.0000604000000000 ] - [ -0.0001251700000000, -0.0003263000000000, 0.0002933000000000 ] - [ -0.0002618700000000, -0.0005102200000000, 0.0000764800000000 ] - [ -0.0001084500000000, 0.0007142500000000, -0.0001909200000000 ] - [ -0.0006032300000000, 0.0004241400000000, -0.0007676400000000 ] - [ -0.0001893300000000, 0.0004590400000000, -0.0003253200000000 ] - [ -0.0005391700000000, 0.0006450400000000, -0.0006777600000000 ] - [ -0.0019206900000000, -0.0138711000000000, 0.0620517500000000 ] - [ -0.0003067200000000, 0.0003487300000000, -0.0002624000000000 ] - [ 0.0001337500000000, 0.0003748500000000, 0.0012088500000000 ] - [ -0.0002739400000000, 0.0003424600000000, -0.0002491200000000 ] - [ 0.0256054300000000, 0.0123627200000000, 0.0314003300000000 ] - [ 0.0004290800000000, 0.0003906700000000, -0.0000068000000000 ] - [ -0.0001079000000000, -0.0010094800000000, -0.0010496200000000 ] - [ 0.0004332900000000, 0.0003638100000000, -0.0000797500000000 ] - [ -0.0002985000000000, -0.0008076200000000, 0.0007532800000000 ] - [ 0.0004811700000000, 0.0002295600000000, 0.0012765600000000 ] - [ 0.0001912000000000, 0.0010879800000000, 0.0014360300000000 ] - [ 0.0004839100000000, 0.0002900900000000, 0.0012541200000000 ] - [ 0.0068132200000000, 0.0207366400000000, 0.0065808300000000 ] - [ 0.0001992400000000, -0.0001377700000000, 0.0006617600000000 ] - [ 0.0026226900000000, -0.0136951600000000, 0.0080550400000000 ] - [ 0.0002271600000000, -0.0001342400000000, 0.0006618300000000 ] - [ 0.0001140100000000, -0.0001029600000000, -0.0024968900000000 ] - [ 0.0023497600000000, 0.0008472300000000, -0.0065796000000000 ] - [ 0.0002379400000000, -0.0001268700000000, -0.0009631600000000 ] - [ 0.0009025000000000, 0.0000052800000000, -0.0025114200000000 ] - [ 0.0041235300000000, -0.0003214900000000, 0.0013394600000000 ] - [ -0.0004744900000000, -0.0005949300000000, 0.0006150700000000 ] - [ 0.0000976100000000, -0.0005959300000000, 0.0001313400000000 ] - [ -0.0000698700000000, -0.0006901300000000, 0.0003050400000000 ] - [ -0.0004026900000000, -0.0040986400000000, 0.0042031500000000 ] - [ 0.0002582600000000, -0.0005782700000000, -0.0002189300000000 ] - [ -0.0003731000000000, 0.0018960600000000, 0.0046344400000000 ] - [ 0.0002595400000000, -0.0005548900000000, -0.0002176100000000 ] - [ 0.0038401800000000, 0.0089744600000000, -0.1274532700000000 ] - [ 0.0004932600000000, -0.0000162000000000, -0.0001332500000000 ] - [ 0.0009016600000000, 0.0005599300000000, -0.0023306300000000 ] - [ 0.0003825900000000, -0.0000109000000000, -0.0001020700000000 ] - [ -0.0001912300000000, 0.0000099900000000, 0.0002402700000000 ] - [ 0.0019661900000000, 0.0007047000000000, 0.0004987800000000 ] - [ -0.0001496800000000, 0.0000492600000000, 0.0002401100000000 ] - [ 0.0013844900000000, -0.0006370200000000, 0.0004952000000000 ] - [ -0.0034079800000000, -0.0003731600000000, 0.0025687500000000 ] - [ 0.0002388800000000, 0.0000591400000000, 0.0001190900000000 ] - [ -0.0007802800000000, 0.0002272500000000, 0.0004425200000000 ] - [ 0.0001279000000000, 0.0000718000000000, 0.0000390300000000 ] - [ 0.0007671900000000, -0.0015421200000000, -0.0021521700000000 ] - [ 0.0002224400000000, 0.0000621300000000, -0.0001275100000000 ] - [ 0.0002156600000000, 0.0010955200000000, -0.0016143200000000 ] - [ 0.0002529900000000, 0.0000379200000000, -0.0001169100000000 ] - [ 0.0002698700000000, -0.0001522300000000, -0.0005515200000000 ] - [ -0.0026739400000000, -0.0036951500000000, -0.0005567000000000 ] - [ 0.0003035200000000, 0.0000264000000000, -0.0005815900000000 ] - [ -0.0022097800000000, 0.0030514800000000, -0.0008558000000000 ] - [ 0.0015698200000000, -0.0000539800000000, 0.0066549400000000 ] - [ 0.0001399900000000, -0.0000588200000000, 0.0005867600000000 ] - [ 0.0000648100000000, 0.0000629000000000, 0.0012072100000000 ] - [ 0.0000908000000000, -0.0000561000000000, 0.0005336200000000 ]- atom: 89 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ 0.0003043900000000, 0.0021263800000000, 0.0050936300000000 ] - [ 0.0001567400000000, -0.0001527300000000, -0.0000404400000000 ] - [ -0.0007347200000000, -0.0015660100000000, 0.0043065700000000 ] - [ 0.0001665900000000, -0.0001394800000000, -0.0000380000000000 ] - [ 0.0008714300000000, -0.0002165200000000, -0.0012085200000000 ] - [ -0.0009790000000000, 0.0003870400000000, -0.0041459600000000 ] - [ 0.0000828900000000, -0.0001331900000000, -0.0002149200000000 ] - [ -0.0002131900000000, 0.0000139900000000, -0.0009915700000000 ] - [ 0.0002775000000000, 0.0065540600000000, -0.0012585900000000 ] - [ 0.0004584700000000, 0.0003380600000000, 0.0006196100000000 ] - [ 0.0131452400000000, 0.0193772300000000, -0.0097243500000000 ] - [ 0.0005027200000000, 0.0003444300000000, 0.0006097400000000 ] - [ -0.0006779300000000, 0.0002393600000000, -0.0012068100000000 ] - [ 0.0015542400000000, 0.0007607400000000, -0.0011854900000000 ] - [ -0.0003596100000000, 0.0004338200000000, -0.0007186800000000 ] - [ 0.0001585700000000, 0.0001305100000000, -0.0009396700000000 ] - [ 0.0187290400000000, -0.0195774100000000, -0.0191350800000000 ] - [ 0.0009735300000000, 0.0001027000000000, -0.0001213800000000 ] - [ 0.0004769200000000, -0.0033935800000000, 0.0005427100000000 ] - [ 0.0009529500000000, 0.0001216600000000, -0.0001008000000000 ] - [ -0.0009512400000000, 0.0002076700000000, -0.0004361900000000 ] - [ 0.0014908300000000, -0.0006265100000000, -0.0007019400000000 ] - [ -0.0007652000000000, -0.0000105600000000, -0.0000634600000000 ] - [ -0.0002965400000000, 0.0003893300000000, -0.0004452000000000 ] - [ 0.0039331400000000, 0.0031546600000000, -0.0017045300000000 ] - [ -0.0002704900000000, -0.0000237400000000, -0.0002551800000000 ] - [ 0.0021490400000000, -0.0022753700000000, -0.0004477500000000 ] - [ -0.0002387500000000, 0.0000121200000000, -0.0002537100000000 ] - [ 0.0007634400000000, 0.0000099500000000, -0.0001257400000000 ] - [ -0.0212436000000000, 0.0019549800000000, -0.0082454100000000 ] - [ 0.0006793900000000, -0.0000061800000000, 0.0001688800000000 ] - [ 0.0015381800000000, 0.0002058900000000, -0.0005097600000000 ] - [ 0.0034132100000000, -0.0029182400000000, 0.0129824300000000 ] - [ 0.0000769000000000, -0.0000305300000000, 0.0003614200000000 ] - [ -0.0003288100000000, 0.0002734600000000, 0.0008253300000000 ] - [ 0.0000632500000000, -0.0000135600000000, 0.0003208500000000 ] - [ 0.0000827100000000, -0.0002472100000000, -0.0001839800000000 ] - [ -0.0002043600000000, 0.0000388900000000, 0.0003431800000000 ] - [ 0.0007534600000000, 0.0012580800000000, 0.0006072400000000 ] - [ -0.0001653600000000, 0.0001482800000000, 0.0002932100000000 ] - [ -0.0007301800000000, -0.0014652300000000, 0.0003202400000000 ] - [ -0.0008193400000000, 0.0002201900000000, -0.0000633700000000 ] - [ 0.0020314400000000, 0.0098547400000000, 0.0070132800000000 ] - [ -0.0008163000000000, 0.0002542500000000, -0.0000455700000000 ] - [ 0.0014165600000000, -0.0007538200000000, 0.0011516400000000 ] - [ 0.0010773700000000, 0.0001759500000000, 0.0005667100000000 ] - [ 0.0009808600000000, 0.0006680900000000, 0.0003106800000000 ] - [ 0.0010570700000000, 0.0001433800000000, 0.0003868200000000 ] - [ 0.0000177900000000, -0.0010115300000000, 0.0010233900000000 ] - [ 0.0003688300000000, -0.0005369200000000, 0.0001957600000000 ] - [ 0.0005049200000000, -0.0003268100000000, 0.0012105500000000 ] - [ 0.0003690600000000, -0.0005505200000000, 0.0001959600000000 ] - [ 0.0115446000000000, 0.0006691400000000, 0.0023276800000000 ] - [ 0.0000494100000000, -0.0005568800000000, -0.0000211600000000 ] - [ -0.0000021800000000, -0.0007578100000000, -0.0002509200000000 ] - [ 0.0001234400000000, -0.0005748700000000, -0.0000399600000000 ] - [ 0.0003068800000000, 0.0000472000000000, 0.0005613200000000 ] - [ 0.0008036300000000, 0.0003372800000000, 0.0011377100000000 ] - [ 0.0003901900000000, 0.0003033200000000, 0.0006939900000000 ] - [ 0.0007331000000000, 0.0001219600000000, 0.0010520200000000 ] - [ 0.0012074700000000, 0.0154644700000000, -0.0672232100000000 ] - [ 0.0001091900000000, 0.0004160600000000, -0.0001079000000000 ] - [ -0.0003357300000000, 0.0003891500000000, -0.0015831300000000 ] - [ 0.0000817400000000, 0.0004253500000000, -0.0001218400000000 ] - [ -0.0254116100000000, -0.0115743300000000, -0.0318777300000000 ] - [ -0.0001993800000000, 0.0003423400000000, -0.0001885000000000 ] - [ 0.0003388800000000, 0.0017457300000000, 0.0008603100000000 ] - [ -0.0002036100000000, 0.0003693700000000, -0.0001178400000000 ] - [ 0.0000667800000000, 0.0015471300000000, -0.0005556300000000 ] - [ -0.0007111800000000, 0.0005086000000000, -0.0010849300000000 ] - [ -0.0004271200000000, -0.0003585800000000, -0.0012405400000000 ] - [ -0.0007151800000000, 0.0004427700000000, -0.0010591900000000 ] - [ -0.0071853700000000, -0.0209534900000000, -0.0052642800000000 ] - [ -0.0005579100000000, -0.0001244300000000, 0.0006805800000000 ] - [ -0.0029871800000000, 0.0133980200000000, -0.0067819300000000 ] - [ -0.0005885900000000, -0.0001292100000000, 0.0006793700000000 ] - [ 0.0002405200000000, -0.0001622500000000, 0.0011586700000000 ] - [ -0.0020865000000000, -0.0011211900000000, 0.0053048700000000 ] - [ 0.0001190100000000, -0.0001405200000000, -0.0003773400000000 ] - [ -0.0005416100000000, -0.0002719300000000, 0.0011781700000000 ] - [ -0.0041700900000000, -0.0008175300000000, -0.0008413800000000 ] - [ 0.0004461000000000, -0.0005444500000000, -0.0001106600000000 ] - [ -0.0001283000000000, -0.0005430600000000, 0.0003719100000000 ] - [ 0.0000402200000000, -0.0004479600000000, 0.0001965800000000 ] - [ 0.0004316100000000, 0.0029594900000000, -0.0047114500000000 ] - [ -0.0002291800000000, -0.0005635900000000, -0.0002825400000000 ] - [ 0.0003986000000000, -0.0030521500000000, -0.0051488400000000 ] - [ -0.0002309300000000, -0.0005875200000000, -0.0002842300000000 ] - [ -0.0021735000000000, -0.0105364000000000, 0.1323932800000000 ] - [ -0.0001263400000000, -0.0000123400000000, -0.0000592000000000 ] - [ -0.0005346000000000, -0.0005869300000000, 0.0021445100000000 ] - [ -0.0000144600000000, -0.0000186600000000, -0.0000911500000000 ] - [ -0.0001780800000000, -0.0000367300000000, -0.0000493500000000 ] - [ -0.0023370000000000, -0.0007378700000000, -0.0003141700000000 ] - [ -0.0002199000000000, -0.0000779300000000, -0.0000496100000000 ] - [ -0.0017591100000000, 0.0006170400000000, -0.0003123700000000 ] - [ 0.0032130500000000, 0.0005020300000000, -0.0026367200000000 ] - [ -0.0004201400000000, 0.0000688100000000, -0.0001865300000000 ] - [ 0.0006028500000000, -0.0000991100000000, -0.0005097000000000 ] - [ -0.0003084000000000, 0.0000569600000000, -0.0001042700000000 ] - [ -0.0005865300000000, 0.0016719600000000, 0.0022255400000000 ] - [ -0.0000454500000000, 0.0000667300000000, 0.0001931500000000 ] - [ -0.0000325000000000, -0.0009645600000000, 0.0016863500000000 ] - [ -0.0000760000000000, 0.0000918200000000, 0.0001824400000000 ] - [ -0.0001563400000000, 0.0000260900000000, -0.0004527500000000 ] - [ 0.0027990500000000, 0.0035828500000000, -0.0004413900000000 ] - [ -0.0001899400000000, -0.0001531400000000, -0.0004223500000000 ] - [ 0.0023339300000000, -0.0031912700000000, -0.0001380800000000 ] - [ -0.0016504500000000, -0.0000714100000000, -0.0056051500000000 ] - [ -0.0002570500000000, -0.0000673300000000, 0.0004165400000000 ] - [ -0.0001792600000000, -0.0001899100000000, -0.0002050800000000 ] - [ -0.0002076400000000, -0.0000706100000000, 0.0004702200000000 ]- atom: 97 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0003310600000000, -0.0017732600000000, -0.0007659400000000 ] - [ -0.0006037200000000, -0.0000396000000000, 0.0003111600000000 ] - [ -0.0008530700000000, 0.0022214200000000, -0.0005009900000000 ] - [ -0.0006936600000000, -0.0003320800000000, 0.0002692000000000 ] - [ -0.0002930700000000, -0.0000009800000000, -0.0019941100000000 ] - [ -0.0006893500000000, -0.0001825300000000, 0.0005598300000000 ] - [ 0.0001095200000000, -0.0001476800000000, -0.0002730500000000 ] - [ -0.0004177100000000, -0.0001339600000000, 0.0003400000000000 ] - [ 0.0008055300000000, -0.0015653100000000, 0.0013232700000000 ] - [ -0.0004186000000000, 0.0006609400000000, 0.0004774300000000 ] - [ 0.0020176800000000, 0.0006749900000000, -0.0004344400000000 ] - [ -0.0005131500000000, 0.0003026700000000, 0.0005956300000000 ] - [ 0.0031988800000000, -0.0008139100000000, 0.0014509100000000 ] - [ -0.0011884800000000, 0.0001344300000000, -0.0006380100000000 ] - [ 0.0000980500000000, -0.0004058900000000, -0.0009148700000000 ] - [ -0.0009124700000000, 0.0004345100000000, -0.0005694500000000 ] - [ 0.0051462400000000, 0.0020261200000000, -0.0027080200000000 ] - [ -0.0000198400000000, 0.0001326300000000, -0.0000470200000000 ] - [ 0.0014177900000000, 0.0020314300000000, 0.0003485100000000 ] - [ 0.0000322200000000, -0.0002896200000000, -0.0001489300000000 ] - [ -0.0001099800000000, -0.0007206700000000, -0.0003912300000000 ] - [ -0.0016865600000000, 0.0003226500000000, 0.0001877900000000 ] - [ -0.0003560400000000, 0.0006595500000000, -0.0002268800000000 ] - [ -0.0013820700000000, 0.0000823300000000, 0.0001954500000000 ] - [ -0.0021965100000000, -0.0007948100000000, 0.0000859900000000 ] - [ -0.0019495100000000, 0.0003777400000000, -0.0000167000000000 ] - [ -0.0022606700000000, 0.0007354900000000, 0.0002365500000000 ] - [ -0.0019774100000000, -0.0002924800000000, -0.0000833900000000 ] - [ -0.0019993400000000, -0.0000851600000000, -0.0001986100000000 ] - [ -0.0015174100000000, -0.0000568500000000, 0.0007339100000000 ] - [ 0.0002762400000000, -0.0000012700000000, 0.0000802900000000 ] - [ -0.0002980600000000, -0.0000265500000000, 0.0005032800000000 ] - [ 0.0021163100000000, 0.0002092400000000, -0.0004309800000000 ] - [ -0.0007946700000000, 0.0000485000000000, 0.0003900700000000 ] - [ 0.0007371200000000, 0.0002407200000000, 0.0000660700000000 ] - [ -0.0005636300000000, -0.0000225400000000, 0.0003611300000000 ] - [ 0.0009113900000000, 0.0013001500000000, 0.0004339300000000 ] - [ -0.0004503300000000, -0.0001115300000000, -0.0003769300000000 ] - [ 0.0010542400000000, -0.0006678400000000, 0.0002720100000000 ] - [ -0.0005160300000000, 0.0000249500000000, -0.0003442800000000 ] - [ -0.0002480400000000, -0.0003289000000000, -0.0003973800000000 ] - [ -0.0014671500000000, 0.0003410300000000, -0.0000718900000000 ] - [ -0.0001291800000000, 0.0009684800000000, -0.0008589100000000 ] - [ -0.0015547500000000, 0.0001939200000000, -0.0000909000000000 ] - [ 0.0025577100000000, 0.0017661100000000, 0.0007894700000000 ] - [ 0.0002309400000000, 0.0000372400000000, -0.0000098800000000 ] - [ 0.0018396400000000, -0.0007769900000000, 0.0004817400000000 ] - [ 0.0004317900000000, 0.0003136200000000, -0.0000028600000000 ] - [ 0.0042147000000000, 0.0002756100000000, -0.0002774400000000 ] - [ -0.0012027500000000, -0.0006137900000000, 0.0001248600000000 ] - [ 0.0038195800000000, -0.0003326100000000, -0.0003877100000000 ] - [ -0.0012297300000000, -0.0005687000000000, 0.0001046400000000 ] - [ 0.0037236000000000, -0.0004692900000000, -0.0008143300000000 ] - [ -0.0014292100000000, -0.0005159900000000, 0.0001849000000000 ] - [ 0.0017951500000000, -0.0006349600000000, -0.0001634900000000 ] - [ -0.0011520900000000, -0.0004950400000000, 0.0001447700000000 ] - [ 0.0006905900000000, 0.0014859200000000, 0.0007467000000000 ] - [ -0.0007557800000000, 0.0004247300000000, -0.0002503100000000 ] - [ 0.0005316300000000, -0.0021226800000000, 0.0018175300000000 ] - [ -0.0009101300000000, 0.0006997200000000, -0.0003069700000000 ] - [ 0.0004727800000000, 0.0006034000000000, 0.0000395000000000 ] - [ -0.0010455900000000, 0.0002418000000000, -0.0007044900000000 ] - [ 0.0005282200000000, 0.0004792300000000, 0.0002717100000000 ] - [ -0.0007214200000000, 0.0002500700000000, -0.0004898500000000 ] - [ -0.0033324000000000, -0.0011498800000000, 0.0039683800000000 ] - [ 0.0019092400000000, 0.0005691900000000, -0.0001562900000000 ] - [ -0.0020771200000000, 0.0006150200000000, 0.0003813800000000 ] - [ 0.0015034600000000, 0.0003417400000000, -0.0001795400000000 ] - [ -0.0031496800000000, -0.0055746100000000, -0.0013771900000000 ] - [ 0.0015587800000000, 0.0005547500000000, 0.0001678800000000 ] - [ -0.0040006800000000, 0.0042837900000000, -0.0022958800000000 ] - [ 0.0016451400000000, 0.0001151600000000, 0.0002794000000000 ] - [ 0.0029085900000000, 0.0058218000000000, 0.0000133900000000 ] - [ 0.0014583900000000, -0.0005471200000000, 0.0003162300000000 ] - [ 0.0030144400000000, -0.0059382600000000, -0.0008098900000000 ] - [ 0.0015350300000000, 0.0001225500000000, 0.0003539500000000 ] - [ 0.0063701200000000, -0.0002833300000000, 0.0059850600000000 ] - [ 0.0024176600000000, 0.0000126100000000, -0.0014227400000000 ] - [ 0.0005295200000000, -0.0000651800000000, -0.0002407100000000 ] - [ 0.0012628600000000, -0.0001076400000000, -0.0010712700000000 ] - [ -0.0025886700000000, -0.0000187300000000, -0.0014339100000000 ] - [ 0.0010874100000000, -0.0006241000000000, 0.0002295500000000 ] - [ -0.0013170600000000, -0.0007420600000000, -0.0001916400000000 ] - [ 0.0008462300000000, -0.0005653400000000, 0.0002633100000000 ] - [ -0.0022092000000000, 0.0025874500000000, 0.0012788200000000 ] - [ 0.0010454800000000, -0.0006870200000000, -0.0003293000000000 ] - [ -0.0024933100000000, -0.0028340900000000, 0.0012578400000000 ] - [ 0.0010639200000000, -0.0004498100000000, -0.0003466000000000 ] - [ 0.0034104400000000, 0.0001554300000000, -0.0034131600000000 ] - [ 0.0017652000000000, -0.0000907000000000, 0.0002394900000000 ] - [ 0.0004270900000000, -0.0000616200000000, -0.0007880900000000 ] - [ 0.0007251700000000, 0.0000048400000000, 0.0001239200000000 ] - [ 0.0011779600000000, -0.0027427000000000, 0.0002254700000000 ] - [ 0.0009384000000000, 0.0002099500000000, 0.0002644800000000 ] - [ 0.0016433200000000, 0.0029526300000000, 0.0007797300000000 ] - [ 0.0010286600000000, -0.0001807000000000, 0.0002344800000000 ] - [ -0.0261602300000000, -0.0010230800000000, -0.0003237400000000 ] - [ 0.0006715200000000, 0.0000641600000000, -0.0000213600000000 ] - [ -0.0013923700000000, 0.0000570300000000, 0.0000952100000000 ] - [ 0.0005420600000000, 0.0000669200000000, -0.0000351600000000 ] - [ -0.0018101600000000, 0.0000740800000000, -0.0000791700000000 ] - [ 0.0007538400000000, 0.0000593500000000, 0.0000411300000000 ] - [ -0.0018098300000000, 0.0000595500000000, -0.0000824400000000 ] - [ 0.0007539700000000, 0.0000667900000000, 0.0000427100000000 ] - [ 0.0004988500000000, -0.0004004600000000, -0.0004131100000000 ] - [ 0.0004158800000000, 0.0001904100000000, -0.0006475200000000 ] - [ 0.0005089200000000, 0.0002541200000000, -0.0003862800000000 ] - [ 0.0004632300000000, -0.0003029300000000, -0.0006660400000000 ] - [ 0.0020972900000000, 0.0000468700000000, 0.0010089700000000 ] - [ 0.0018585800000000, -0.0001481200000000, 0.0000142400000000 ] - [ 0.0002778100000000, -0.0001189800000000, 0.0006851700000000 ] - [ 0.0003068900000000, -0.0000076200000000, 0.0004228700000000 ]- atom: 97 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0003482100000000, 0.0014686700000000, 0.0008616100000000 ] - [ 0.0006197700000000, -0.0002565500000000, -0.0002074800000000 ] - [ 0.0008732500000000, -0.0025020700000000, 0.0005987300000000 ] - [ 0.0007098900000000, 0.0000381300000000, -0.0001667300000000 ] - [ 0.0002749500000000, -0.0002949900000000, 0.0018984100000000 ] - [ 0.0006725700000000, -0.0001124500000000, -0.0006616300000000 ] - [ -0.0001270400000000, -0.0001473900000000, 0.0001730400000000 ] - [ 0.0004007500000000, -0.0001604500000000, -0.0004421100000000 ] - [ -0.0002469500000000, 0.0023978600000000, -0.0001731700000000 ] - [ 0.0009773800000000, 0.0001768900000000, 0.0006677900000000 ] - [ -0.0013643700000000, 0.0000930900000000, 0.0014994000000000 ] - [ 0.0010719800000000, 0.0005357100000000, 0.0005499500000000 ] - [ -0.0038969000000000, 0.0017350500000000, -0.0027385300000000 ] - [ 0.0006301500000000, 0.0007007600000000, -0.0005068700000000 ] - [ -0.0006575100000000, 0.0012408800000000, -0.0002308000000000 ] - [ 0.0003546400000000, 0.0004045800000000, -0.0005739700000000 ] - [ -0.0034738600000000, -0.0018404800000000, 0.0023146400000000 ] - [ 0.0015233600000000, -0.0001101900000000, -0.0002138700000000 ] - [ 0.0000886000000000, -0.0019998800000000, -0.0006052900000000 ] - [ 0.0014725500000000, 0.0003167500000000, -0.0001111300000000 ] - [ -0.0014541300000000, 0.0007362800000000, 0.0005960100000000 ] - [ 0.0001818300000000, -0.0002969400000000, 0.0000738700000000 ] - [ -0.0011482600000000, -0.0006331700000000, 0.0004882200000000 ] - [ -0.0001185600000000, -0.0000569900000000, 0.0000652600000000 ] - [ 0.0012719000000000, 0.0007808100000000, -0.0005371300000000 ] - [ 0.0010197400000000, -0.0003929700000000, -0.0004364600000000 ] - [ 0.0013368100000000, -0.0007493800000000, -0.0006868900000000 ] - [ 0.0010451900000000, 0.0002798900000000, -0.0003693600000000 ] - [ 0.0029288000000000, 0.0000705000000000, 0.0006624500000000 ] - [ 0.0024419600000000, 0.0000425700000000, -0.0002757200000000 ] - [ 0.0006483600000000, -0.0000140900000000, 0.0003755500000000 ] - [ 0.0012282200000000, 0.0000121300000000, -0.0000473400000000 ] - [ -0.0021836800000000, -0.0001484000000000, 0.0010470200000000 ] - [ 0.0006781900000000, -0.0000049600000000, 0.0001585700000000 ] - [ -0.0008510100000000, -0.0001989900000000, 0.0004835400000000 ] - [ 0.0004461000000000, 0.0000670300000000, 0.0001875900000000 ] - [ -0.0008003400000000, -0.0012526000000000, -0.0009781600000000 ] - [ 0.0005678700000000, 0.0001552400000000, -0.0001723900000000 ] - [ -0.0009488800000000, 0.0007149900000000, -0.0008178200000000 ] - [ 0.0006333400000000, 0.0000214000000000, -0.0002038300000000 ] - [ -0.0016343800000000, 0.0007068900000000, 0.0002122700000000 ] - [ -0.0004190500000000, 0.0000342300000000, -0.0001158000000000 ] - [ -0.0017492400000000, -0.0005919500000000, 0.0006716100000000 ] - [ -0.0003309100000000, 0.0001841100000000, -0.0000956800000000 ] - [ -0.0007219600000000, -0.0013588600000000, -0.0005620900000000 ] - [ 0.0016525300000000, 0.0003360300000000, 0.0001952100000000 ] - [ 0.0000332500000000, 0.0011499500000000, -0.0002958800000000 ] - [ 0.0014529700000000, 0.0000646700000000, 0.0001879600000000 ] - [ -0.0040042400000000, -0.0013432300000000, 0.0002267400000000 ] - [ 0.0014253500000000, -0.0004607900000000, -0.0001834500000000 ] - [ -0.0036110200000000, -0.0007461200000000, 0.0003343600000000 ] - [ 0.0014517100000000, -0.0005052900000000, -0.0001631000000000 ] - [ -0.0039401200000000, -0.0006046600000000, 0.0008731900000000 ] - [ 0.0012062800000000, -0.0005588000000000, -0.0001281100000000 ] - [ -0.0020141200000000, -0.0004402400000000, 0.0002224800000000 ] - [ 0.0009299800000000, -0.0005801100000000, -0.0000877400000000 ] - [ -0.0005688100000000, -0.0006993100000000, -0.0004493100000000 ] - [ 0.0008864000000000, 0.0003646100000000, 0.0005569600000000 ] - [ -0.0004188000000000, 0.0029215900000000, -0.0015204200000000 ] - [ 0.0010385200000000, 0.0000924000000000, 0.0006122700000000 ] - [ -0.0005957700000000, 0.0001880400000000, -0.0003320800000000 ] - [ 0.0009139200000000, 0.0005482100000000, 0.0003990900000000 ] - [ -0.0006574900000000, 0.0003123700000000, -0.0005750600000000 ] - [ 0.0005903400000000, 0.0005406000000000, 0.0001837700000000 ] - [ 0.0035348900000000, 0.0018892400000000, -0.0041711400000000 ] - [ -0.0016902000000000, 0.0001649000000000, -0.0000396000000000 ] - [ 0.0022889300000000, 0.0001201000000000, -0.0005823000000000 ] - [ -0.0012844900000000, 0.0003941500000000, -0.0000182100000000 ] - [ 0.0029673400000000, 0.0063136800000000, 0.0015878300000000 ] - [ -0.0017753000000000, 0.0001840000000000, 0.0000301600000000 ] - [ 0.0038488600000000, -0.0035552800000000, 0.0024964000000000 ] - [ -0.0018612600000000, 0.0006189100000000, -0.0000798200000000 ] - [ -0.0032526700000000, -0.0060589500000000, 0.0012957200000000 ] - [ -0.0018097500000000, 0.0002856700000000, 0.0010173500000000 ] - [ -0.0033597500000000, 0.0056455900000000, 0.0021145900000000 ] - [ -0.0018882800000000, -0.0003882700000000, 0.0009778500000000 ] - [ -0.0060467200000000, 0.0000282500000000, -0.0074001200000000 ] - [ -0.0020582200000000, -0.0002769000000000, 0.0000875700000000 ] - [ -0.0001714300000000, -0.0002006400000000, -0.0010955900000000 ] - [ -0.0009085900000000, -0.0001581500000000, -0.0002617900000000 ] - [ 0.0025695900000000, -0.0011198900000000, 0.0019330500000000 ] - [ -0.0011155000000000, -0.0005139000000000, 0.0002758700000000 ] - [ 0.0012883300000000, -0.0003958600000000, 0.0006928700000000 ] - [ -0.0008749200000000, -0.0005716300000000, 0.0002418200000000 ] - [ 0.0022153900000000, -0.0037274600000000, -0.0017773800000000 ] - [ -0.0010164300000000, -0.0004526200000000, -0.0001756000000000 ] - [ 0.0024922300000000, 0.0016944900000000, -0.0017608500000000 ] - [ -0.0010350200000000, -0.0006921200000000, -0.0001581700000000 ] - [ -0.0030229000000000, -0.0001820900000000, 0.0031954000000000 ] - [ -0.0013964900000000, 0.0000645400000000, -0.0004232200000000 ] - [ -0.0000594500000000, 0.0000347900000000, 0.0006033700000000 ] - [ -0.0003516300000000, -0.0000323800000000, -0.0003072100000000 ] - [ -0.0015488800000000, 0.0027290700000000, -0.0000461500000000 ] - [ -0.0013086000000000, -0.0002335300000000, -0.0000828000000000 ] - [ -0.0020161000000000, -0.0029950800000000, -0.0006024000000000 ] - [ -0.0013998100000000, 0.0001534500000000, -0.0000528100000000 ] - [ 0.0259130500000000, 0.0009165700000000, 0.0006740000000000 ] - [ -0.0008498300000000, 0.0000641300000000, -0.0000385200000000 ] - [ 0.0012126100000000, 0.0000727600000000, -0.0001531600000000 ] - [ -0.0007204600000000, 0.0000616300000000, -0.0000245600000000 ] - [ 0.0019873500000000, 0.0000507900000000, 0.0001414400000000 ] - [ -0.0005754300000000, 0.0000697800000000, 0.0000183200000000 ] - [ 0.0019874200000000, 0.0000739200000000, 0.0001459900000000 ] - [ -0.0005754800000000, 0.0000614800000000, 0.0000167700000000 ] - [ -0.0003815100000000, 0.0002763000000000, -0.0005914300000000 ] - [ -0.0003030000000000, -0.0003144200000000, -0.0003566000000000 ] - [ -0.0003913900000000, -0.0003792100000000, -0.0006180300000000 ] - [ -0.0003502200000000, 0.0001779700000000, -0.0003379400000000 ] - [ -0.0021952900000000, -0.0001703600000000, 0.0000007300000000 ] - [ -0.0019871100000000, 0.0000245500000000, 0.0009951100000000 ] - [ -0.0003937400000000, -0.0000055800000000, 0.0003195100000000 ] - [ -0.0004202800000000, -0.0001169900000000, 0.0005814800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012180900000000, -0.0012574100000000, 0.0001394400000000 ] - [ 0.0002241800000000, -0.0001921200000000, -0.0000373200000000 ] - [ 0.0018790500000000, -0.0012246400000000, -0.0002833400000000 ] - [ -0.0002398000000000, -0.0001039300000000, 0.0001012500000000 ] - [ 0.0000690200000000, 0.0014040800000000, 0.0001149000000000 ] - [ -0.0000417900000000, -0.0000186200000000, -0.0000485900000000 ] - [ -0.0000291800000000, -0.0009038700000000, -0.0000479000000000 ] - [ 0.0000035300000000, -0.0002884200000000, -0.0000383300000000 ] - [ -0.0000525200000000, -0.0014916900000000, 0.0012448300000000 ] - [ 0.0004816500000000, 0.0001779200000000, 0.0006459300000000 ] - [ 0.0004029600000000, 0.0024252300000000, 0.0007568000000000 ] - [ 0.0001325900000000, 0.0006515300000000, 0.0005006400000000 ] - [ -0.0016174400000000, 0.0048251000000000, -0.0016509500000000 ] - [ -0.0003357900000000, 0.0006590800000000, -0.0004901700000000 ] - [ -0.0008321400000000, -0.0012225700000000, -0.0012598400000000 ] - [ -0.0002447100000000, 0.0001295100000000, -0.0006851500000000 ] - [ 0.0027719100000000, 0.0033855600000000, -0.0016761000000000 ] - [ 0.0009543500000000, 0.0002174300000000, -0.0001020600000000 ] - [ 0.0012645600000000, -0.0017330100000000, -0.0008365000000000 ] - [ 0.0005775900000000, -0.0001497900000000, -0.0001527700000000 ] - [ -0.0015388900000000, 0.0036397600000000, -0.0000575000000000 ] - [ -0.0007862300000000, 0.0003404600000000, 0.0000553800000000 ] - [ -0.0003103100000000, -0.0016035500000000, 0.0004878700000000 ] - [ -0.0008148500000000, -0.0002557900000000, 0.0002046300000000 ] - [ -0.0022712400000000, -0.0004784200000000, 0.0003424600000000 ] - [ 0.0003295700000000, -0.0000601600000000, -0.0001642500000000 ] - [ 0.0012318800000000, -0.0004561500000000, -0.0008894300000000 ] - [ -0.0013206400000000, -0.0000095100000000, -0.0003293900000000 ] - [ 0.0007651300000000, 0.0013268800000000, 0.0003084300000000 ] - [ 0.0004124100000000, 0.0005118000000000, 0.0002345600000000 ] - [ 0.0004138600000000, -0.0005450800000000, 0.0002189700000000 ] - [ 0.0004929300000000, -0.0004405300000000, 0.0002247800000000 ] - [ 0.0000199200000000, 0.0025039600000000, -0.0005856700000000 ] - [ -0.0000227400000000, 0.0001401700000000, 0.0002243800000000 ] - [ 0.0002251600000000, -0.0017126400000000, 0.0011956500000000 ] - [ -0.0000831900000000, -0.0001060500000000, 0.0003404700000000 ] - [ 0.0011338200000000, -0.0014068900000000, -0.0020278000000000 ] - [ -0.0000175100000000, -0.0000368500000000, -0.0003390200000000 ] - [ -0.0011555600000000, 0.0010033600000000, 0.0017056300000000 ] - [ 0.0001287100000000, 0.0000801300000000, -0.0002122700000000 ] - [ -0.0012042200000000, -0.0016095200000000, -0.0006622000000000 ] - [ -0.0008718300000000, 0.0000126400000000, -0.0001234800000000 ] - [ -0.0005771600000000, 0.0023920300000000, 0.0006944600000000 ] - [ -0.0010069000000000, 0.0003824000000000, -0.0000580900000000 ] - [ 0.0020092900000000, 0.0023117000000000, -0.0012275400000000 ] - [ 0.0008986500000000, 0.0003099100000000, 0.0000487900000000 ] - [ 0.0000244800000000, -0.0023895300000000, 0.0011994200000000 ] - [ 0.0009709600000000, 0.0000616900000000, 0.0001436200000000 ] - [ 0.0012217300000000, -0.0002674100000000, -0.0015300600000000 ] - [ 0.0000195400000000, -0.0005248700000000, -0.0000241000000000 ] - [ -0.0003923400000000, 0.0040200100000000, -0.0011460500000000 ] - [ 0.0001614500000000, -0.0005630500000000, 0.0000103800000000 ] - [ -0.0001043600000000, 0.0007356400000000, -0.0002432200000000 ] - [ -0.0000834700000000, -0.0004638200000000, 0.0000128700000000 ] - [ -0.0000024100000000, -0.0015193700000000, 0.0001087800000000 ] - [ -0.0000969300000000, -0.0006178800000000, 0.0000102000000000 ] - [ 0.0016622900000000, -0.0003734700000000, 0.0001452600000000 ] - [ -0.0001722800000000, 0.0003903700000000, -0.0000033000000000 ] - [ -0.0022138900000000, -0.0005564100000000, 0.0007521100000000 ] - [ 0.0003224700000000, 0.0004046400000000, 0.0003286400000000 ] - [ -0.0001153200000000, 0.0014179200000000, -0.0002825600000000 ] - [ 0.0000073500000000, 0.0005289300000000, -0.0001330400000000 ] - [ -0.0000962800000000, -0.0003386400000000, -0.0001945200000000 ] - [ -0.0001168500000000, 0.0002570400000000, -0.0001818400000000 ] - [ 0.0000893900000000, -0.0035742500000000, 0.0011312300000000 ] - [ 0.0000645100000000, 0.0000620900000000, -0.0001050700000000 ] - [ -0.0000413000000000, 0.0029679100000000, -0.0008234000000000 ] - [ 0.0001341900000000, 0.0006576600000000, -0.0001041400000000 ] - [ -0.0067280400000000, 0.0031249600000000, 0.0054083000000000 ] - [ 0.0000948100000000, 0.0002158700000000, 0.0002578400000000 ] - [ 0.0058393400000000, 0.0051731400000000, -0.0054103800000000 ] - [ -0.0003105600000000, 0.0005406000000000, -0.0000872100000000 ] - [ 0.0033326800000000, 0.0039615100000000, -0.0009965700000000 ] - [ -0.0009368200000000, -0.0000753500000000, 0.0007925100000000 ] - [ -0.0039363000000000, 0.0033077400000000, 0.0031291100000000 ] - [ 0.0006308900000000, -0.0002286000000000, 0.0005776000000000 ] - [ -0.0002876600000000, -0.0077504400000000, -0.0018514800000000 ] - [ 0.0002502800000000, -0.0005533500000000, -0.0006962100000000 ] - [ 0.0002914100000000, 0.0025067200000000, -0.0003526400000000 ] - [ 0.0001676800000000, 0.0003384200000000, -0.0006336600000000 ] - [ 0.0001779400000000, -0.0034318800000000, 0.0006198300000000 ] - [ -0.0000051300000000, -0.0007252000000000, 0.0002534400000000 ] - [ -0.0000889400000000, 0.0014343700000000, -0.0000259200000000 ] - [ -0.0000183500000000, -0.0004170300000000, 0.0002384700000000 ] - [ 0.0033433900000000, 0.0015627500000000, 0.0032856700000000 ] - [ -0.0000572500000000, -0.0006068600000000, -0.0001618000000000 ] - [ -0.0030086200000000, 0.0020031300000000, -0.0035159500000000 ] - [ 0.0001009000000000, -0.0005294600000000, -0.0003493500000000 ] - [ 0.0004579400000000, -0.0036590300000000, -0.0005255800000000 ] - [ 0.0000972300000000, -0.0002638600000000, -0.0000988200000000 ] - [ 0.0001420600000000, 0.0017059200000000, 0.0000685300000000 ] - [ 0.0002196600000000, 0.0002651800000000, -0.0000864200000000 ] - [ -0.0021271100000000, 0.0014450100000000, -0.0009492200000000 ] - [ 0.0005461200000000, 0.0000302100000000, 0.0001236800000000 ] - [ 0.0022449200000000, 0.0012770300000000, 0.0017037500000000 ] - [ -0.0009378400000000, -0.0000884900000000, 0.0000928000000000 ] - [ -0.0010664300000000, -0.0259701200000000, 0.0043322700000000 ] - [ -0.0000887700000000, -0.0000304600000000, -0.0000262800000000 ] - [ -0.0000965500000000, 0.0022524700000000, -0.0000420000000000 ] - [ -0.0000862900000000, 0.0001609900000000, -0.0000302000000000 ] - [ 0.0000946400000000, 0.0009072900000000, -0.0013947600000000 ] - [ 0.0000861700000000, 0.0000643700000000, 0.0000127000000000 ] - [ 0.0000791000000000, 0.0009112500000000, 0.0014100900000000 ] - [ 0.0000942600000000, 0.0000645300000000, 0.0000454500000000 ] - [ -0.0002684100000000, 0.0000106400000000, -0.0004205500000000 ] - [ 0.0002961300000000, -0.0000253600000000, -0.0005728800000000 ] - [ 0.0003897800000000, -0.0000685500000000, -0.0005949500000000 ] - [ -0.0001962300000000, -0.0000528300000000, -0.0004316100000000 ] - [ 0.0000539800000000, -0.0008880200000000, 0.0004973000000000 ] - [ -0.0001701600000000, -0.0008289300000000, 0.0004757300000000 ] - [ -0.0000989700000000, 0.0005576300000000, 0.0005160900000000 ] - [ 0.0000102200000000, 0.0005334700000000, 0.0005374500000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012242800000000, 0.0009623100000000, 0.0000091100000000 ] - [ -0.0002095000000000, -0.0001057600000000, 0.0001768000000000 ] - [ -0.0018749300000000, 0.0009200000000000, 0.0004309300000000 ] - [ 0.0002559200000000, -0.0001945400000000, 0.0000386100000000 ] - [ -0.0000842800000000, -0.0017044100000000, -0.0002628200000000 ] - [ 0.0000274000000000, -0.0002784500000000, -0.0000942500000000 ] - [ 0.0000155000000000, 0.0006064800000000, -0.0000914100000000 ] - [ -0.0000203900000000, -0.0000082800000000, -0.0001049900000000 ] - [ 0.0006340300000000, 0.0023524900000000, -0.0001054000000000 ] - [ 0.0001012600000000, 0.0006802100000000, 0.0004882900000000 ] - [ 0.0002352200000000, -0.0016114900000000, 0.0003458500000000 ] - [ 0.0004530700000000, 0.0002006900000000, 0.0006363700000000 ] - [ 0.0009496200000000, -0.0039405000000000, 0.0004492400000000 ] - [ -0.0002480200000000, 0.0001979200000000, -0.0006433300000000 ] - [ 0.0002561000000000, 0.0020824600000000, 0.0001308700000000 ] - [ -0.0003403200000000, 0.0007257300000000, -0.0004493700000000 ] - [ -0.0011054000000000, -0.0032849400000000, 0.0013258800000000 ] - [ 0.0005849200000000, -0.0002015300000000, -0.0001725000000000 ] - [ 0.0002669200000000, 0.0017480500000000, 0.0005679700000000 ] - [ 0.0009624600000000, 0.0001657900000000, -0.0001217200000000 ] - [ -0.0000317700000000, -0.0036424000000000, 0.0003059800000000 ] - [ -0.0007551600000000, -0.0003237400000000, 0.0002204700000000 ] - [ -0.0012294000000000, 0.0016262400000000, -0.0002113300000000 ] - [ -0.0007275100000000, 0.0002748500000000, 0.0000707100000000 ] - [ 0.0013765200000000, 0.0004729600000000, -0.0007894300000000 ] - [ -0.0012331000000000, 0.0000490500000000, -0.0002848800000000 ] - [ -0.0021343100000000, 0.0004372800000000, 0.0004450200000000 ] - [ 0.0004198500000000, -0.0000062100000000, -0.0001201800000000 ] - [ 0.0001285900000000, -0.0013428600000000, 0.0001422300000000 ] - [ 0.0004924000000000, -0.0005260500000000, 0.0002166600000000 ] - [ 0.0004926700000000, 0.0005318800000000, 0.0002326800000000 ] - [ 0.0004033500000000, 0.0004267700000000, 0.0002290800000000 ] - [ -0.0001159600000000, -0.0024359900000000, 0.0011408300000000 ] - [ -0.0000838700000000, -0.0000777600000000, 0.0003173700000000 ] - [ -0.0003327300000000, 0.0017788500000000, -0.0006582600000000 ] - [ -0.0000226600000000, 0.0001683500000000, 0.0002019400000000 ] - [ -0.0010239300000000, 0.0014736000000000, 0.0014807600000000 ] - [ 0.0001235100000000, 0.0001016200000000, -0.0002016700000000 ] - [ 0.0012702800000000, -0.0009495400000000, -0.0022660700000000 ] - [ -0.0000216900000000, -0.0000171200000000, -0.0003317400000000 ] - [ -0.0006690300000000, 0.0019717400000000, 0.0004598400000000 ] - [ -0.0009997100000000, 0.0003486500000000, -0.0000756500000000 ] - [ -0.0012942000000000, -0.0020462900000000, -0.0008979200000000 ] - [ -0.0008646400000000, -0.0000225600000000, -0.0001416600000000 ] - [ -0.0001417200000000, -0.0019159900000000, 0.0014341400000000 ] - [ 0.0009728400000000, 0.0000500400000000, 0.0001496700000000 ] - [ 0.0018436500000000, 0.0027507900000000, -0.0010047500000000 ] - [ 0.0009000900000000, 0.0002983200000000, 0.0000550300000000 ] - [ -0.0010136300000000, -0.0006742400000000, 0.0015528600000000 ] - [ 0.0002040200000000, -0.0005532000000000, -0.0000076000000000 ] - [ 0.0005685400000000, -0.0053956400000000, 0.0012889600000000 ] - [ 0.0000625700000000, -0.0005154600000000, -0.0000414600000000 ] - [ -0.0001213400000000, -0.0018171900000000, 0.0002794900000000 ] - [ -0.0001406800000000, -0.0006152300000000, 0.0000187800000000 ] - [ -0.0002207600000000, 0.0004414700000000, -0.0000774400000000 ] - [ -0.0001272200000000, -0.0004607400000000, 0.0000217000000000 ] - [ -0.0015399500000000, 0.0011636900000000, 0.0001524700000000 ] - [ 0.0002857900000000, 0.0003986800000000, 0.0003047500000000 ] - [ 0.0023463000000000, 0.0013398700000000, -0.0004505800000000 ] - [ -0.0002095700000000, 0.0003835800000000, -0.0000272300000000 ] - [ 0.0000029800000000, -0.0006331200000000, -0.0000149900000000 ] - [ -0.0001236900000000, 0.0002592400000000, -0.0001694300000000 ] - [ -0.0000193100000000, 0.0011276300000000, -0.0001083300000000 ] - [ 0.0000053200000000, 0.0005336000000000, -0.0001195800000000 ] - [ 0.0001129100000000, 0.0043345000000000, -0.0013423900000000 ] - [ 0.0001469700000000, 0.0006757100000000, -0.0000869900000000 ] - [ 0.0002514100000000, -0.0022340200000000, 0.0006348400000000 ] - [ 0.0000746500000000, 0.0000773800000000, -0.0000903300000000 ] - [ 0.0064740400000000, -0.0023842900000000, -0.0051598800000000 ] - [ -0.0003033900000000, 0.0005192800000000, -0.0000643200000000 ] - [ -0.0060820700000000, -0.0044772500000000, 0.0056547500000000 ] - [ 0.0001020700000000, 0.0001970500000000, 0.0002816400000000 ] - [ -0.0036691300000000, -0.0042516800000000, 0.0022909100000000 ] - [ 0.0005839600000000, -0.0001933500000000, 0.0005326100000000 ] - [ 0.0036077600000000, -0.0035570100000000, -0.0018393400000000 ] - [ -0.0009873100000000, -0.0000354700000000, 0.0007463000000000 ] - [ 0.0006722500000000, 0.0074918400000000, 0.0005515300000000 ] - [ 0.0001025400000000, 0.0002857400000000, -0.0006272400000000 ] - [ 0.0000580200000000, -0.0027798800000000, -0.0009757000000000 ] - [ 0.0001925600000000, -0.0006068200000000, -0.0006913100000000 ] - [ -0.0002005800000000, 0.0023015100000000, -0.0001210600000000 ] - [ -0.0000225200000000, -0.0004131700000000, 0.0002508000000000 ] - [ 0.0000596500000000, -0.0025757300000000, 0.0005301800000000 ] - [ -0.0000089800000000, -0.0007225300000000, 0.0002651000000000 ] - [ -0.0032886800000000, -0.0027024200000000, -0.0037562600000000 ] - [ 0.0000850400000000, -0.0005363400000000, -0.0003427600000000 ] - [ 0.0030626300000000, -0.0031595100000000, 0.0030413600000000 ] - [ -0.0000734200000000, -0.0006125800000000, -0.0001543900000000 ] - [ -0.0000962400000000, 0.0036313000000000, 0.0003518500000000 ] - [ 0.0002850500000000, 0.0002366400000000, -0.0000832100000000 ] - [ 0.0002393700000000, -0.0017363300000000, -0.0002521800000000 ] - [ 0.0001561600000000, -0.0002938200000000, -0.0000965000000000 ] - [ 0.0017383400000000, -0.0014817000000000, 0.0011220100000000 ] - [ -0.0009246600000000, -0.0000576500000000, 0.0000583500000000 ] - [ -0.0026392500000000, -0.0012956800000000, -0.0015358200000000 ] - [ 0.0005608500000000, 0.0000629900000000, 0.0000893600000000 ] - [ 0.0008651800000000, 0.0262097000000000, -0.0045145700000000 ] - [ -0.0000892300000000, 0.0001589700000000, -0.0000285500000000 ] - [ -0.0000813200000000, -0.0021254200000000, -0.0000121900000000 ] - [ -0.0000917400000000, -0.0000326500000000, -0.0000244300000000 ] - [ 0.0000833000000000, -0.0007831300000000, 0.0014414500000000 ] - [ 0.0000919100000000, 0.0000640300000000, 0.0000420100000000 ] - [ 0.0000992400000000, -0.0007784900000000, -0.0013638300000000 ] - [ 0.0000838300000000, 0.0000645100000000, 0.0000093400000000 ] - [ 0.0003836300000000, -0.0001376800000000, -0.0005850200000000 ] - [ -0.0001814600000000, -0.0001011400000000, -0.0004329900000000 ] - [ -0.0002752600000000, -0.0000537500000000, -0.0004101900000000 ] - [ 0.0003112500000000, -0.0000698400000000, -0.0005741200000000 ] - [ -0.0001751400000000, 0.0007640800000000, 0.0005081700000000 ] - [ 0.0000606000000000, 0.0007055000000000, 0.0005285300000000 ] - [ -0.0000132600000000, -0.0006824400000000, 0.0004902800000000 ] - [ -0.0001271100000000, -0.0006586100000000, 0.0004688400000000 ]- atom: 97 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ -0.0002544800000000, 0.0001957100000000, 0.0021228300000000 ] - [ 0.0000573600000000, -0.0001087500000000, 0.0002759200000000 ] - [ -0.0004128700000000, -0.0000067700000000, 0.0025226900000000 ] - [ 0.0000792700000000, -0.0001215900000000, 0.0002723300000000 ] - [ -0.0000898100000000, 0.0000743600000000, -0.0030526600000000 ] - [ 0.0000082400000000, -0.0001275200000000, -0.0002633700000000 ] - [ 0.0000593200000000, -0.0001652500000000, -0.0006975000000000 ] - [ -0.0000314500000000, -0.0001311200000000, -0.0001443300000000 ] - [ 0.0005262300000000, 0.0013916600000000, 0.0007184400000000 ] - [ 0.0001931200000000, 0.0004788900000000, 0.0006159100000000 ] - [ 0.0001427100000000, 0.0001447900000000, 0.0030778900000000 ] - [ 0.0001662200000000, 0.0002452100000000, 0.0007095100000000 ] - [ 0.0014118600000000, -0.0005146000000000, 0.0023070200000000 ] - [ -0.0001489400000000, 0.0004385600000000, -0.0006055800000000 ] - [ -0.0004442400000000, -0.0000702100000000, -0.0005016900000000 ] - [ -0.0002389000000000, 0.0003502000000000, -0.0006237600000000 ] - [ -0.0010527900000000, -0.0011526000000000, 0.0026605300000000 ] - [ 0.0006431200000000, 0.0001713900000000, 0.0000086100000000 ] - [ 0.0009703400000000, -0.0008584400000000, 0.0004217500000000 ] - [ 0.0006874600000000, -0.0000221100000000, -0.0000555000000000 ] - [ -0.0017176100000000, -0.0004082000000000, 0.0009544800000000 ] - [ -0.0006311700000000, 0.0000026900000000, 0.0000709600000000 ] - [ -0.0009366300000000, 0.0006038400000000, 0.0000525500000000 ] - [ -0.0007293600000000, 0.0000960300000000, 0.0000729600000000 ] - [ 0.0004374900000000, 0.0005731400000000, -0.0000611300000000 ] - [ -0.0009892500000000, 0.0002504000000000, -0.0000111300000000 ] - [ 0.0004785100000000, -0.0005589700000000, 0.0002398100000000 ] - [ -0.0009010500000000, -0.0002049600000000, 0.0000279900000000 ] - [ -0.0018707300000000, 0.0000350800000000, 0.0001128700000000 ] - [ 0.0012220100000000, 0.0000192700000000, 0.0001066300000000 ] - [ 0.0003470100000000, 0.0000248200000000, 0.0001484900000000 ] - [ 0.0006197600000000, 0.0000091500000000, 0.0001431200000000 ] - [ 0.0000786000000000, 0.0004806400000000, -0.0001870800000000 ] - [ -0.0000072200000000, 0.0000263000000000, 0.0001675000000000 ] - [ -0.0002964100000000, 0.0004589400000000, -0.0000521400000000 ] - [ -0.0000083500000000, 0.0000117500000000, 0.0002477200000000 ] - [ 0.0004036300000000, -0.0013126800000000, -0.0014502800000000 ] - [ 0.0000347300000000, -0.0000024900000000, -0.0002740900000000 ] - [ 0.0009427100000000, 0.0007654500000000, -0.0012286000000000 ] - [ 0.0000195400000000, 0.0000103700000000, -0.0002791700000000 ] - [ -0.0010737500000000, -0.0004422200000000, -0.0007164700000000 ] - [ -0.0009119700000000, 0.0002046900000000, -0.0001107000000000 ] - [ -0.0015329700000000, 0.0007918100000000, -0.0015389800000000 ] - [ -0.0009209100000000, 0.0001545300000000, -0.0001473900000000 ] - [ 0.0015637800000000, -0.0010324500000000, 0.0001288100000000 ] - [ 0.0008579800000000, 0.0001571700000000, 0.0000740400000000 ] - [ 0.0014587300000000, 0.0011295500000000, -0.0001852800000000 ] - [ 0.0009131900000000, 0.0002038500000000, 0.0000886700000000 ] - [ 0.0003121900000000, -0.0016299000000000, 0.0008011700000000 ] - [ 0.0000565200000000, -0.0005574300000000, 0.0000235700000000 ] - [ 0.0002936400000000, -0.0025282600000000, 0.0016766400000000 ] - [ 0.0000540400000000, -0.0005532600000000, 0.0000141500000000 ] - [ 0.0002060600000000, -0.0004817200000000, -0.0030808700000000 ] - [ -0.0001085400000000, -0.0005558900000000, -0.0000493800000000 ] - [ -0.0000709700000000, -0.0006910900000000, -0.0005254700000000 ] - [ -0.0000543300000000, -0.0005477800000000, -0.0000256100000000 ] - [ 0.0012599800000000, -0.0004384900000000, 0.0016977200000000 ] - [ 0.0000697000000000, 0.0003745500000000, 0.0002752900000000 ] - [ 0.0015218500000000, 0.0008987900000000, 0.0015246300000000 ] - [ 0.0000370800000000, 0.0004366300000000, 0.0002700300000000 ] - [ -0.0011219300000000, 0.0001015700000000, -0.0029114400000000 ] - [ -0.0002180300000000, 0.0003843000000000, -0.0004281500000000 ] - [ -0.0003263300000000, 0.0001869600000000, -0.0007915600000000 ] - [ -0.0000578000000000, 0.0003891700000000, -0.0002301600000000 ] - [ 0.0019352000000000, -0.0004136100000000, 0.0072526900000000 ] - [ 0.0001800300000000, 0.0004502200000000, 0.0001362200000000 ] - [ 0.0000852700000000, 0.0007672200000000, 0.0009433400000000 ] - [ 0.0000605100000000, 0.0003698900000000, -0.0000195400000000 ] - [ -0.0033686600000000, 0.0065445600000000, 0.0009949500000000 ] - [ -0.0000587800000000, 0.0004584200000000, 0.0000415500000000 ] - [ -0.0037878500000000, -0.0030941000000000, 0.0010953800000000 ] - [ -0.0000475500000000, 0.0003748100000000, 0.0000739700000000 ] - [ -0.0023272800000000, -0.0036810900000000, -0.0015119000000000 ] - [ 0.0000709800000000, -0.0003153200000000, 0.0002256600000000 ] - [ -0.0026920600000000, 0.0030488800000000, -0.0031556800000000 ] - [ 0.0000164900000000, -0.0000296300000000, 0.0001943500000000 ] - [ 0.0073258900000000, -0.0010574000000000, 0.0050426400000000 ] - [ -0.0002367800000000, -0.0001881300000000, -0.0002744200000000 ] - [ 0.0006622100000000, -0.0002605700000000, 0.0000805000000000 ] - [ 0.0001219400000000, -0.0001540700000000, -0.0004558300000000 ] - [ -0.0017029400000000, -0.0008712200000000, 0.0050244700000000 ] - [ 0.0000294900000000, -0.0005670200000000, 0.0003294300000000 ] - [ 0.0000522100000000, -0.0003792900000000, 0.0010977100000000 ] - [ -0.0000012500000000, -0.0005672800000000, 0.0002807900000000 ] - [ 0.0022005000000000, 0.0030276100000000, 0.0000775100000000 ] - [ -0.0000265400000000, -0.0005724300000000, -0.0002687000000000 ] - [ 0.0020921100000000, -0.0030617400000000, 0.0000789900000000 ] - [ -0.0000264600000000, -0.0005512400000000, -0.0002527100000000 ] - [ -0.0029458500000000, -0.0003209600000000, 0.0025153500000000 ] - [ 0.0008848700000000, -0.0000557500000000, 0.0000600300000000 ] - [ 0.0000223500000000, -0.0000568400000000, 0.0003856500000000 ] - [ 0.0001984500000000, -0.0000215900000000, -0.0000240000000000 ] - [ 0.0006625000000000, -0.0017922400000000, -0.0015491200000000 ] - [ -0.0004073200000000, -0.0000541400000000, -0.0000543400000000 ] - [ 0.0008895600000000, 0.0016015600000000, -0.0020858300000000 ] - [ -0.0003982400000000, -0.0000137800000000, -0.0000645500000000 ] - [ -0.0004785600000000, 0.0044574300000000, -0.0238096300000000 ] - [ -0.0000808900000000, 0.0000678800000000, -0.0000850700000000 ] - [ 0.0000435900000000, 0.0000524000000000, -0.0006483400000000 ] - [ -0.0000943800000000, 0.0000640400000000, -0.0000651200000000 ] - [ -0.0000180200000000, -0.0013117000000000, 0.0019321500000000 ] - [ 0.0000962100000000, 0.0000492400000000, 0.0000682300000000 ] - [ -0.0000141500000000, 0.0014771200000000, 0.0019320300000000 ] - [ 0.0000948000000000, 0.0000814800000000, 0.0000683300000000 ] - [ -0.0000467900000000, -0.0001682100000000, -0.0001090400000000 ] - [ 0.0001975700000000, -0.0000244300000000, -0.0002437300000000 ] - [ -0.0000101500000000, 0.0000549300000000, -0.0001045400000000 ] - [ 0.0002002800000000, -0.0001066900000000, -0.0002214000000000 ] - [ 0.0006015500000000, -0.0000630600000000, -0.0000403500000000 ] - [ -0.0006810400000000, -0.0000833400000000, 0.0000055500000000 ] - [ 0.0000617500000000, -0.0000807400000000, 0.0003475500000000 ] - [ -0.0003099800000000, -0.0000775600000000, 0.0003550900000000 ]- atom: 97 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ 0.0002691700000000, -0.0005025600000000, -0.0021248400000000 ] - [ -0.0000453700000000, -0.0002026800000000, -0.0002803400000000 ] - [ 0.0004311400000000, -0.0003092900000000, -0.0025202500000000 ] - [ -0.0000660900000000, -0.0001882700000000, -0.0002771900000000 ] - [ 0.0000858500000000, -0.0003858800000000, 0.0030473800000000 ] - [ -0.0000219900000000, -0.0001811000000000, 0.0002617100000000 ] - [ -0.0000699700000000, -0.0001454500000000, 0.0006963900000000 ] - [ 0.0000154700000000, -0.0001766800000000, 0.0001420300000000 ] - [ 0.0000756300000000, -0.0006360700000000, 0.0004798800000000 ] - [ 0.0004026300000000, 0.0002774900000000, 0.0005812300000000 ] - [ 0.0005293300000000, 0.0005548800000000, -0.0019343100000000 ] - [ 0.0004325700000000, 0.0005073100000000, 0.0004899200000000 ] - [ -0.0021309400000000, 0.0013262900000000, -0.0035912100000000 ] - [ -0.0004449900000000, 0.0003136000000000, -0.0005918400000000 ] - [ -0.0001461600000000, 0.0008241600000000, -0.0006972300000000 ] - [ -0.0003531400000000, 0.0004033800000000, -0.0005732700000000 ] - [ 0.0026826800000000, 0.0013445200000000, -0.0029163800000000 ] - [ 0.0009105300000000, -0.0000467900000000, -0.0002387500000000 ] - [ 0.0005846900000000, 0.0009829700000000, -0.0006555200000000 ] - [ 0.0008662200000000, 0.0001511000000000, -0.0001740300000000 ] - [ 0.0000925100000000, 0.0005172800000000, -0.0008049400000000 ] - [ -0.0009207500000000, 0.0001295300000000, 0.0001589600000000 ] - [ -0.0006210900000000, -0.0004698400000000, 0.0001760000000000 ] - [ -0.0008234100000000, 0.0000346800000000, 0.0001576500000000 ] - [ -0.0014581700000000, -0.0005774800000000, -0.0003652700000000 ] - [ -0.0000385100000000, -0.0002593900000000, -0.0004139200000000 ] - [ -0.0015021700000000, 0.0005473000000000, -0.0006644400000000 ] - [ -0.0001292800000000, 0.0001963300000000, -0.0004537100000000 ] - [ 0.0029034100000000, -0.0000450900000000, 0.0003088800000000 ] - [ -0.0001944500000000, -0.0000285300000000, 0.0003186900000000 ] - [ 0.0006797500000000, -0.0000361200000000, 0.0002790000000000 ] - [ 0.0003991100000000, -0.0000197900000000, 0.0002867600000000 ] - [ -0.0001350200000000, -0.0004486400000000, 0.0008822200000000 ] - [ -0.0001186300000000, -0.0000167100000000, 0.0004249800000000 ] - [ 0.0001701900000000, -0.0004495800000000, 0.0006467400000000 ] - [ -0.0001175000000000, -0.0000027300000000, 0.0003448900000000 ] - [ -0.0002785200000000, 0.0013201000000000, 0.0008588100000000 ] - [ 0.0000907400000000, 0.0000124600000000, -0.0003156300000000 ] - [ -0.0008102600000000, -0.0007384600000000, 0.0006428800000000 ] - [ 0.0001074000000000, 0.0000014600000000, -0.0003125900000000 ] - [ -0.0008283900000000, 0.0008814800000000, 0.0005466400000000 ] - [ -0.0009893200000000, 0.0002334000000000, -0.0000620000000000 ] - [ -0.0003791500000000, -0.0003428000000000, 0.0013660300000000 ] - [ -0.0009799400000000, 0.0002861100000000, -0.0000234400000000 ] - [ 0.0002968600000000, 0.0014955100000000, 0.0000964300000000 ] - [ 0.0010423000000000, 0.0002778300000000, 0.0000976400000000 ] - [ 0.0004376200000000, -0.0006934100000000, 0.0003632500000000 ] - [ 0.0009873300000000, 0.0002362300000000, 0.0000818800000000 ] - [ -0.0001692700000000, 0.0005607400000000, -0.0008054700000000 ] - [ 0.0000960500000000, -0.0005287600000000, -0.0000503900000000 ] - [ -0.0001609000000000, 0.0013669300000000, -0.0016719500000000 ] - [ 0.0000972700000000, -0.0005332100000000, -0.0000400000000000 ] - [ -0.0003768500000000, -0.0006042300000000, 0.0031113600000000 ] - [ -0.0000431400000000, -0.0005317700000000, 0.0000737300000000 ] - [ -0.0000814200000000, -0.0003963000000000, 0.0005531900000000 ] - [ -0.0000966300000000, -0.0005396100000000, 0.0000507900000000 ] - [ -0.0010907400000000, 0.0012085500000000, -0.0013450800000000 ] - [ 0.0001004500000000, 0.0003984600000000, 0.0000734200000000 ] - [ -0.0013540400000000, -0.0001288800000000, -0.0011641200000000 ] - [ 0.0001324300000000, 0.0003380200000000, 0.0000802100000000 ] - [ 0.0009377400000000, 0.0006661000000000, 0.0025606700000000 ] - [ 0.0000474600000000, 0.0003888800000000, 0.0000794400000000 ] - [ 0.0001555400000000, 0.0005870600000000, 0.0004441100000000 ] - [ -0.0001077700000000, 0.0003873600000000, -0.0001177900000000 ] - [ -0.0016473100000000, 0.0011588400000000, -0.0074218500000000 ] - [ 0.0000397200000000, 0.0002856000000000, -0.0003283900000000 ] - [ 0.0001364800000000, -0.0000296600000000, -0.0011379700000000 ] - [ 0.0001576800000000, 0.0003659800000000, -0.0001740900000000 ] - [ 0.0031440400000000, -0.0057756500000000, -0.0008109600000000 ] - [ -0.0001602100000000, 0.0002784100000000, 0.0001504300000000 ] - [ 0.0035759000000000, 0.0038034200000000, -0.0009384000000000 ] - [ -0.0001717900000000, 0.0003606800000000, 0.0001183400000000 ] - [ 0.0019606400000000, 0.0034015800000000, 0.0028395100000000 ] - [ -0.0004293200000000, 0.0000496600000000, 0.0011066600000000 ] - [ 0.0023228100000000, -0.0033025000000000, 0.0044906900000000 ] - [ -0.0003772900000000, -0.0002372000000000, 0.0011366700000000 ] - [ -0.0070182500000000, 0.0007972900000000, -0.0063742000000000 ] - [ 0.0006005600000000, -0.0000806300000000, -0.0010544900000000 ] - [ -0.0003004600000000, -0.0000100800000000, -0.0014099000000000 ] - [ 0.0002427100000000, -0.0001150400000000, -0.0008737700000000 ] - [ 0.0016392700000000, -0.0002680400000000, -0.0044987500000000 ] - [ -0.0000574900000000, -0.0005721800000000, 0.0001697700000000 ] - [ -0.0000830200000000, -0.0007596800000000, -0.0006004100000000 ] - [ -0.0000272600000000, -0.0005719700000000, 0.0002181900000000 ] - [ -0.0021662500000000, -0.0041493300000000, -0.0005877000000000 ] - [ 0.0000545400000000, -0.0005707700000000, -0.0002309700000000 ] - [ -0.0020619300000000, 0.0019019700000000, -0.0005960100000000 ] - [ 0.0000545400000000, -0.0005922400000000, -0.0002469000000000 ] - [ 0.0033334100000000, 0.0002914400000000, -0.0026947700000000 ] - [ -0.0005149400000000, 0.0000268600000000, -0.0002504700000000 ] - [ 0.0003485400000000, 0.0000276800000000, -0.0005737100000000 ] - [ 0.0001718300000000, -0.0000087200000000, -0.0001675300000000 ] - [ -0.0010304700000000, 0.0017598900000000, 0.0017423100000000 ] - [ 0.0000367400000000, 0.0000264900000000, 0.0002445500000000 ] - [ -0.0012536400000000, -0.0016260500000000, 0.0022850900000000 ] - [ 0.0000276100000000, -0.0000152900000000, 0.0002551000000000 ] - [ 0.0003401300000000, -0.0044002100000000, 0.0237748700000000 ] - [ -0.0000980800000000, 0.0000607400000000, 0.0000217000000000 ] - [ -0.0002216000000000, 0.0000769500000000, 0.0005849400000000 ] - [ -0.0000846700000000, 0.0000649900000000, 0.0000020000000000 ] - [ 0.0001965600000000, 0.0014576600000000, -0.0018715100000000 ] - [ 0.0000816900000000, 0.0000803400000000, -0.0000052400000000 ] - [ 0.0001932300000000, -0.0013641000000000, -0.0018718000000000 ] - [ 0.0000834000000000, 0.0000474600000000, -0.0000051800000000 ] - [ 0.0001606000000000, 0.0000417700000000, -0.0008950300000000 ] - [ -0.0000819800000000, -0.0001015000000000, -0.0007599900000000 ] - [ 0.0001236900000000, -0.0001824100000000, -0.0008992300000000 ] - [ -0.0000838500000000, -0.0000211200000000, -0.0007816300000000 ] - [ -0.0007188100000000, -0.0000641900000000, 0.0010404600000000 ] - [ 0.0005680100000000, -0.0000438300000000, 0.0009958000000000 ] - [ -0.0001766600000000, -0.0000457100000000, 0.0006566200000000 ] - [ 0.0001947800000000, -0.0000490400000000, 0.0006492900000000 ]- atom: 105 displacement: [ 0.0099999954712243, 0.0000000000000000, -0.0000095171158257 ] forces: - [ -0.0007120800000000, -0.0001840200000000, 0.0003017100000000 ] - [ 0.0011257500000000, -0.0002351100000000, -0.0006922800000000 ] - [ -0.0005178900000000, -0.0001774700000000, 0.0002200400000000 ] - [ 0.0008344800000000, -0.0000634000000000, -0.0004770100000000 ] - [ 0.0021790700000000, -0.0000618200000000, -0.0012057500000000 ] - [ -0.0006910700000000, -0.0001934500000000, 0.0003713600000000 ] - [ 0.0010449900000000, -0.0018866600000000, -0.0014303700000000 ] - [ -0.0007031000000000, -0.0000601600000000, 0.0003890700000000 ] - [ -0.0005708000000000, 0.0003728100000000, 0.0004395400000000 ] - [ 0.0007822000000000, 0.0005423200000000, 0.0022260800000000 ] - [ -0.0003278200000000, 0.0005234900000000, 0.0005428900000000 ] - [ 0.0009515900000000, -0.0002693200000000, 0.0010221400000000 ] - [ 0.0004233400000000, 0.0016334500000000, -0.0019193900000000 ] - [ -0.0010690100000000, 0.0001228800000000, -0.0005823600000000 ] - [ 0.0003490200000000, -0.0006176300000000, -0.0014241300000000 ] - [ -0.0008929200000000, 0.0003847500000000, -0.0005932500000000 ] - [ -0.0000644900000000, 0.0000244900000000, -0.0001590800000000 ] - [ 0.0014247400000000, -0.0002269300000000, 0.0006472000000000 ] - [ 0.0001423500000000, -0.0001247700000000, -0.0001150800000000 ] - [ 0.0014485400000000, 0.0006190400000000, 0.0001681300000000 ] - [ -0.0002558100000000, 0.0011271400000000, -0.0007989200000000 ] - [ -0.0013685400000000, 0.0000976600000000, 0.0001701500000000 ] - [ -0.0000211100000000, -0.0018382200000000, -0.0016728700000000 ] - [ -0.0015917600000000, 0.0003648000000000, 0.0002232300000000 ] - [ -0.0019502500000000, 0.0000399600000000, 0.0000166000000000 ] - [ 0.0035611900000000, -0.0000778600000000, -0.0010565800000000 ] - [ -0.0016987000000000, 0.0000229500000000, -0.0000415500000000 ] - [ 0.0015128200000000, -0.0000428300000000, -0.0004962700000000 ] - [ 0.0042670100000000, 0.0002832700000000, -0.0007849800000000 ] - [ -0.0007643800000000, -0.0000540500000000, 0.0004144700000000 ] - [ 0.0044013700000000, -0.0001896400000000, -0.0006681900000000 ] - [ -0.0008004300000000, -0.0000107200000000, 0.0004272500000000 ] - [ -0.0007275200000000, 0.0001840500000000, 0.0003009800000000 ] - [ -0.0007156900000000, -0.0012508700000000, -0.0004768800000000 ] - [ -0.0006494700000000, -0.0002359300000000, 0.0005483300000000 ] - [ -0.0000639100000000, 0.0020407200000000, -0.0010907000000000 ] - [ 0.0042317700000000, 0.0008472400000000, -0.0007876300000000 ] - [ -0.0007086700000000, -0.0000494000000000, -0.0003918900000000 ] - [ 0.0002579100000000, 0.0004350900000000, 0.0000213100000000 ] - [ -0.0004436200000000, -0.0001310400000000, -0.0003761600000000 ] - [ -0.0017191500000000, 0.0000821100000000, -0.0000641000000000 ] - [ 0.0019244800000000, 0.0009217000000000, 0.0008810500000000 ] - [ -0.0015199500000000, 0.0005352800000000, -0.0000228100000000 ] - [ -0.0009500200000000, -0.0013549200000000, -0.0006328400000000 ] - [ 0.0003985600000000, 0.0017383800000000, 0.0017784100000000 ] - [ 0.0002814500000000, 0.0000481200000000, 0.0000103800000000 ] - [ 0.0012384200000000, -0.0007353400000000, 0.0007193300000000 ] - [ 0.0004147700000000, 0.0003753500000000, -0.0000984700000000 ] - [ -0.0017004300000000, -0.0004171100000000, 0.0012683900000000 ] - [ -0.0015712000000000, -0.0006838200000000, -0.0001936700000000 ] - [ -0.0001522700000000, -0.0006432600000000, 0.0001180400000000 ] - [ -0.0007264700000000, -0.0005032000000000, -0.0000954600000000 ] - [ -0.0014692400000000, -0.0001355900000000, 0.0002172500000000 ] - [ -0.0016459300000000, -0.0010271100000000, 0.0000291700000000 ] - [ -0.0016660000000000, -0.0009513700000000, 0.0001577900000000 ] - [ -0.0019719900000000, 0.0006006600000000, 0.0004223600000000 ] - [ 0.0015486800000000, 0.0002171800000000, 0.0026980800000000 ] - [ -0.0009176800000000, 0.0005714400000000, -0.0003224400000000 ] - [ 0.0008592800000000, 0.0001241500000000, 0.0006163600000000 ] - [ -0.0006230300000000, 0.0005553400000000, -0.0002152900000000 ] - [ -0.0010132100000000, 0.0003163900000000, -0.0005697900000000 ] - [ 0.0014136000000000, 0.0003304700000000, -0.0001509400000000 ] - [ -0.0010862200000000, 0.0001236400000000, -0.0006219300000000 ] - [ 0.0002639600000000, 0.0028407200000000, 0.0007026300000000 ] - [ 0.0020061900000000, 0.0000542700000000, -0.0001598700000000 ] - [ 0.0031954800000000, 0.0039519800000000, 0.0012084700000000 ] - [ 0.0021898000000000, 0.0008069100000000, -0.0003692900000000 ] - [ 0.0035542300000000, -0.0068592700000000, 0.0003901500000000 ] - [ 0.0026881200000000, -0.0010784500000000, -0.0077305900000000 ] - [ 0.0019668200000000, 0.0004765700000000, 0.0001909700000000 ] - [ -0.0004022300000000, 0.0010835600000000, -0.0008417100000000 ] - [ 0.0011144900000000, 0.0001572000000000, 0.0003390200000000 ] - [ 0.0015882900000000, -0.0002464200000000, 0.0003449500000000 ] - [ -0.0029676000000000, 0.0008070400000000, -0.0014220900000000 ] - [ 0.0012376000000000, -0.0001856500000000, 0.0004318000000000 ] - [ -0.0026887300000000, -0.0000218100000000, 0.0010622400000000 ] - [ -0.0029062900000000, -0.0043012000000000, 0.0043927600000000 ] - [ 0.0017502300000000, 0.0001740400000000, -0.0010614800000000 ] - [ -0.0034051700000000, 0.0040431600000000, 0.0035694900000000 ] - [ 0.0017736900000000, -0.0003130800000000, -0.0011137800000000 ] - [ 0.0013617100000000, -0.0028345700000000, -0.0000714300000000 ] - [ 0.0011771500000000, -0.0003970800000000, 0.0002463600000000 ] - [ 0.0018858900000000, 0.0031462200000000, -0.0002141900000000 ] - [ 0.0013739700000000, -0.0007723400000000, 0.0003143100000000 ] - [ 0.0014383200000000, -0.0006474400000000, -0.0003456900000000 ] - [ 0.0019663200000000, 0.0003006100000000, 0.0029682000000000 ] - [ 0.0005945500000000, -0.0004750300000000, -0.0004619800000000 ] - [ 0.0000234100000000, -0.0009931000000000, 0.0006630600000000 ] - [ 0.0012202300000000, -0.0001767100000000, 0.0001216100000000 ] - [ -0.0017103000000000, 0.0023219500000000, -0.0028393800000000 ] - [ 0.0012259700000000, 0.0001066600000000, 0.0001552200000000 ] - [ -0.0017705100000000, -0.0022149700000000, -0.0023733200000000 ] - [ -0.0032276200000000, -0.0002315700000000, 0.0016837500000000 ] - [ 0.0009448900000000, 0.0000224300000000, 0.0002989100000000 ] - [ -0.0017476200000000, -0.0000276900000000, 0.0002089400000000 ] - [ 0.0007186900000000, -0.0000010000000000, 0.0002486400000000 ] - [ 0.0003495400000000, -0.0002624700000000, -0.0001352200000000 ] - [ 0.0002708400000000, 0.0003027200000000, 0.0001078200000000 ] - [ 0.0003595100000000, 0.0003973000000000, -0.0000987600000000 ] - [ 0.0003180400000000, -0.0001892100000000, 0.0001105900000000 ] - [ 0.0022445700000000, -0.0000501000000000, 0.0007061500000000 ] - [ 0.0020057000000000, 0.0001794400000000, -0.0005804500000000 ] - [ 0.0004243200000000, 0.0001074400000000, 0.0001531900000000 ] - [ 0.0004543300000000, -0.0000041300000000, -0.0002179400000000 ] - [ -0.0215641500000000, -0.0003179700000000, 0.0016489100000000 ] - [ 0.0008667200000000, -0.0000660000000000, -0.0005293000000000 ] - [ -0.0015401700000000, -0.0000755000000000, -0.0005752700000000 ] - [ 0.0007399900000000, -0.0000603800000000, -0.0005162600000000 ] - [ 0.0006567700000000, -0.0000707500000000, 0.0004824500000000 ] - [ -0.0018261600000000, -0.0000176800000000, 0.0006270200000000 ] - [ 0.0006566800000000, -0.0000540000000000, 0.0004790600000000 ] - [ -0.0018260300000000, -0.0001079100000000, 0.0006632800000000 ]- atom: 105 displacement: [ -0.0099999954712243, 0.0000000000000000, 0.0000095171158257 ] forces: - [ 0.0007375900000000, -0.0001118700000000, -0.0002470000000000 ] - [ -0.0011140900000000, -0.0000589300000000, 0.0007589000000000 ] - [ 0.0005453600000000, -0.0001186200000000, -0.0001660300000000 ] - [ -0.0008093300000000, -0.0002327100000000, 0.0005320500000000 ] - [ -0.0021604100000000, -0.0003041300000000, 0.0011676400000000 ] - [ 0.0006615300000000, -0.0001003600000000, -0.0004231800000000 ] - [ -0.0010509000000000, 0.0016000900000000, 0.0013743100000000 ] - [ 0.0006758700000000, -0.0002360200000000, -0.0004442100000000 ] - [ 0.0011293800000000, 0.0004223400000000, 0.0007252300000000 ] - [ -0.0002362700000000, 0.0002559100000000, -0.0010713800000000 ] - [ 0.0008885300000000, 0.0002752800000000, 0.0006225800000000 ] - [ -0.0003939800000000, 0.0010643100000000, 0.0001453000000000 ] - [ -0.0009752200000000, -0.0008301500000000, 0.0007484800000000 ] - [ 0.0005036100000000, 0.0006795700000000, -0.0005811400000000 ] - [ -0.0009043400000000, 0.0014166700000000, 0.0002609200000000 ] - [ 0.0003291700000000, 0.0004132800000000, -0.0005713300000000 ] - [ 0.0015692400000000, 0.0000364600000000, -0.0000871500000000 ] - [ 0.0000666300000000, 0.0002846100000000, -0.0008967100000000 ] - [ 0.0013625800000000, 0.0001854500000000, -0.0001288700000000 ] - [ 0.0000532400000000, -0.0005563000000000, -0.0004109900000000 ] - [ -0.0012442700000000, -0.0010689600000000, 0.0010483500000000 ] - [ -0.0001385500000000, -0.0000372100000000, 0.0000764100000000 ] - [ -0.0014671400000000, 0.0018972000000000, 0.0019131000000000 ] - [ 0.0000842500000000, -0.0003089700000000, 0.0000238200000000 ] - [ 0.0009769400000000, -0.0000507000000000, -0.0004593300000000 ] - [ -0.0045540900000000, 0.0000683700000000, 0.0006278900000000 ] - [ 0.0007229000000000, -0.0000349100000000, -0.0004019900000000 ] - [ -0.0024976600000000, 0.0000312900000000, 0.0000535800000000 ] - [ -0.0032806100000000, -0.0003017800000000, 0.0012317700000000 ] - [ 0.0017453600000000, 0.0000427900000000, 0.0000303300000000 ] - [ -0.0034133300000000, 0.0001867900000000, 0.0011175300000000 ] - [ 0.0017807500000000, -0.0000025700000000, 0.0000195600000000 ] - [ 0.0006183300000000, -0.0001702200000000, 0.0002811600000000 ] - [ 0.0006040300000000, 0.0012680700000000, 0.0010641600000000 ] - [ 0.0005402500000000, 0.0002453500000000, 0.0000362000000000 ] - [ -0.0000461300000000, -0.0020376500000000, 0.0016786900000000 ] - [ -0.0038732700000000, -0.0007823100000000, 0.0000502200000000 ] - [ 0.0008199400000000, 0.0000599700000000, -0.0001912700000000 ] - [ -0.0001458300000000, -0.0004251600000000, -0.0006064400000000 ] - [ 0.0005533300000000, 0.0001399100000000, -0.0002084800000000 ] - [ -0.0001646600000000, 0.0003425900000000, -0.0001046900000000 ] - [ -0.0040275200000000, -0.0003918400000000, -0.0011519400000000 ] - [ -0.0003620400000000, -0.0001090000000000, -0.0001442500000000 ] - [ -0.0009374100000000, 0.0017830500000000, 0.0004602000000000 ] - [ 0.0014857100000000, -0.0012984900000000, -0.0016000200000000 ] - [ 0.0016011600000000, 0.0003820200000000, 0.0001542900000000 ] - [ 0.0006462300000000, 0.0011621000000000, -0.0005538500000000 ] - [ 0.0014684600000000, 0.0000526500000000, 0.0002658300000000 ] - [ 0.0018839000000000, -0.0006641700000000, -0.0013176600000000 ] - [ 0.0017480500000000, -0.0003928300000000, 0.0001441100000000 ] - [ 0.0003345300000000, -0.0004340800000000, -0.0001679800000000 ] - [ 0.0009022200000000, -0.0005739900000000, 0.0000458400000000 ] - [ 0.0012921200000000, -0.0009382400000000, -0.0001653300000000 ] - [ 0.0014660600000000, -0.0000457700000000, 0.0000197200000000 ] - [ 0.0014901800000000, -0.0001284200000000, -0.0001065800000000 ] - [ 0.0017934900000000, -0.0016804800000000, -0.0003691300000000 ] - [ -0.0013868900000000, 0.0005619200000000, -0.0023243600000000 ] - [ 0.0010704400000000, 0.0002055400000000, 0.0006681300000000 ] - [ -0.0007057700000000, 0.0006536800000000, -0.0002598600000000 ] - [ 0.0007750100000000, 0.0002229100000000, 0.0005654100000000 ] - [ 0.0008632200000000, 0.0004651300000000, 0.0002184600000000 ] - [ -0.0016405300000000, 0.0003577800000000, -0.0002070100000000 ] - [ 0.0009360500000000, 0.0006567400000000, 0.0002673500000000 ] - [ -0.0004330400000000, -0.0020711000000000, -0.0010663500000000 ] - [ -0.0017790800000000, 0.0006779900000000, -0.0000366000000000 ] - [ -0.0029630900000000, -0.0032408100000000, -0.0013904900000000 ] - [ -0.0019629600000000, -0.0000703100000000, 0.0001705900000000 ] - [ -0.0033517100000000, 0.0076346500000000, -0.0006014400000000 ] - [ -0.0028885400000000, 0.0018192700000000, 0.0078744800000000 ] - [ -0.0021907800000000, 0.0002559000000000, 0.0000055400000000 ] - [ 0.0001729700000000, -0.0003469500000000, 0.0010378600000000 ] - [ -0.0013360200000000, 0.0005778900000000, -0.0001413900000000 ] - [ -0.0019415900000000, -0.0000150700000000, 0.0009891100000000 ] - [ 0.0026827600000000, -0.0010759800000000, 0.0027564200000000 ] - [ -0.0015904700000000, -0.0000784900000000, 0.0009015200000000 ] - [ 0.0023422400000000, -0.0002409000000000, 0.0002692500000000 ] - [ 0.0032318400000000, 0.0040284000000000, -0.0057365600000000 ] - [ -0.0013980400000000, -0.0004407000000000, -0.0002732300000000 ] - [ 0.0037271500000000, -0.0043012100000000, -0.0049004900000000 ] - [ -0.0014203200000000, 0.0000508200000000, -0.0002198300000000 ] - [ -0.0013930100000000, 0.0016832100000000, 0.0005811500000000 ] - [ -0.0012034400000000, -0.0007417800000000, 0.0002575200000000 ] - [ -0.0019082800000000, -0.0042564700000000, 0.0007166500000000 ] - [ -0.0014007500000000, -0.0003636400000000, 0.0001895800000000 ] - [ -0.0014111100000000, -0.0004939100000000, -0.0001600100000000 ] - [ -0.0019456200000000, -0.0014437600000000, -0.0034999900000000 ] - [ -0.0005690800000000, -0.0006653700000000, -0.0000436600000000 ] - [ 0.0000063900000000, -0.0001463500000000, -0.0011687400000000 ] - [ -0.0008471200000000, 0.0001479100000000, -0.0003052300000000 ] - [ 0.0020999500000000, -0.0023494700000000, 0.0026581000000000 ] - [ -0.0008529600000000, -0.0001333000000000, -0.0003383600000000 ] - [ 0.0021619400000000, 0.0021880000000000, 0.0021946900000000 ] - [ 0.0028250800000000, 0.0002047100000000, -0.0015076300000000 ] - [ -0.0013179200000000, -0.0000484700000000, -0.0001154400000000 ] - [ 0.0013733100000000, 0.0000017500000000, -0.0000281400000000 ] - [ -0.0010914600000000, -0.0000249800000000, -0.0000657100000000 ] - [ -0.0005289200000000, 0.0003898400000000, 0.0000744400000000 ] - [ -0.0004473500000000, -0.0001749200000000, -0.0001686900000000 ] - [ -0.0005389200000000, -0.0002675000000000, 0.0000376100000000 ] - [ -0.0004945300000000, 0.0003185000000000, -0.0001709500000000 ] - [ -0.0020501100000000, 0.0001785800000000, -0.0006380100000000 ] - [ -0.0018415700000000, -0.0000514900000000, 0.0006467700000000 ] - [ -0.0002487400000000, 0.0000215600000000, -0.0000928400000000 ] - [ -0.0002746700000000, 0.0001333200000000, 0.0002786900000000 ] - [ 0.0216426000000000, 0.0001559100000000, -0.0023772900000000 ] - [ -0.0007519400000000, -0.0000587300000000, -0.0004758300000000 ] - [ 0.0016562700000000, -0.0000485200000000, -0.0004290800000000 ] - [ -0.0006249400000000, -0.0000640300000000, -0.0004887100000000 ] - [ -0.0007714900000000, -0.0000540900000000, 0.0005221900000000 ] - [ 0.0017115200000000, -0.0001022000000000, 0.0003801900000000 ] - [ -0.0007715000000000, -0.0000702400000000, 0.0005260200000000 ] - [ 0.0017116600000000, -0.0000204500000000, 0.0003429600000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000014200000000, -0.0000434100000000, 0.0001104100000000 ] - [ -0.0000738900000000, 0.0008766100000000, 0.0004159200000000 ] - [ 0.0000033700000000, -0.0002518200000000, 0.0000954200000000 ] - [ -0.0000206400000000, -0.0009429800000000, 0.0000470300000000 ] - [ 0.0000446700000000, 0.0015819500000000, 0.0006516200000000 ] - [ -0.0001544900000000, -0.0001238100000000, 0.0000457100000000 ] - [ -0.0019626600000000, -0.0015332800000000, -0.0015362700000000 ] - [ 0.0001342300000000, -0.0001665700000000, -0.0002323600000000 ] - [ 0.0001997500000000, 0.0006355400000000, 0.0005235400000000 ] - [ 0.0004037600000000, 0.0021627000000000, -0.0006645400000000 ] - [ 0.0003715900000000, 0.0002715000000000, 0.0005814300000000 ] - [ 0.0002004900000000, -0.0010812500000000, 0.0013368800000000 ] - [ 0.0008074600000000, 0.0017146600000000, 0.0013839500000000 ] - [ -0.0003368000000000, 0.0005643600000000, -0.0005178600000000 ] - [ -0.0012907800000000, -0.0012920500000000, -0.0019913400000000 ] - [ -0.0002336300000000, 0.0003519600000000, -0.0005813300000000 ] - [ 0.0008657100000000, 0.0001683600000000, -0.0001300500000000 ] - [ 0.0006131700000000, 0.0016825500000000, 0.0007918800000000 ] - [ 0.0006591400000000, -0.0002097900000000, -0.0001636600000000 ] - [ 0.0008491900000000, -0.0014895000000000, -0.0007217300000000 ] - [ 0.0002618700000000, -0.0021716200000000, 0.0014967100000000 ] - [ -0.0008143800000000, -0.0001335500000000, 0.0001839900000000 ] - [ -0.0020199000000000, 0.0012556700000000, -0.0015099300000000 ] - [ -0.0007085300000000, 0.0000829500000000, 0.0001180100000000 ] - [ -0.0004143400000000, 0.0000813000000000, -0.0002306300000000 ] - [ -0.0004832600000000, 0.0013801000000000, -0.0004511800000000 ] - [ -0.0004213800000000, -0.0000956000000000, -0.0002304600000000 ] - [ -0.0003687400000000, -0.0011325000000000, -0.0002907600000000 ] - [ 0.0008733800000000, -0.0011249700000000, 0.0021791000000000 ] - [ 0.0003837100000000, -0.0000190900000000, 0.0002987300000000 ] - [ -0.0001585300000000, -0.0009395700000000, -0.0016819400000000 ] - [ 0.0004521600000000, 0.0000030300000000, 0.0001694600000000 ] - [ 0.0001417700000000, 0.0001813100000000, 0.0001129200000000 ] - [ -0.0013710700000000, 0.0003206000000000, -0.0011564000000000 ] - [ -0.0002346100000000, -0.0000885400000000, 0.0004089600000000 ] - [ 0.0006434900000000, -0.0010220300000000, 0.0015077100000000 ] - [ 0.0004085500000000, 0.0025124100000000, 0.0004288300000000 ] - [ 0.0001845800000000, 0.0003806600000000, -0.0000835600000000 ] - [ 0.0002343800000000, -0.0013618600000000, -0.0009831400000000 ] - [ -0.0000629900000000, -0.0003180900000000, -0.0004616100000000 ] - [ -0.0010965800000000, 0.0004442400000000, 0.0000051200000000 ] - [ -0.0010474100000000, 0.0022361000000000, 0.0001011800000000 ] - [ -0.0007735300000000, -0.0001296800000000, -0.0002269700000000 ] - [ -0.0014554000000000, -0.0020893900000000, -0.0010942200000000 ] - [ 0.0022892200000000, 0.0021398900000000, -0.0009479300000000 ] - [ 0.0008324400000000, 0.0005713600000000, -0.0000318400000000 ] - [ 0.0004749500000000, -0.0013940300000000, 0.0006100800000000 ] - [ 0.0010351400000000, -0.0001991200000000, 0.0002146100000000 ] - [ 0.0001112300000000, 0.0002884500000000, 0.0002567800000000 ] - [ 0.0002765100000000, -0.0001346200000000, 0.0000790700000000 ] - [ 0.0000435900000000, -0.0010439900000000, -0.0000662800000000 ] - [ 0.0001145400000000, -0.0008701700000000, -0.0000695300000000 ] - [ 0.0009341000000000, -0.0006379000000000, -0.0001778000000000 ] - [ -0.0024970600000000, -0.0008636400000000, -0.0001671500000000 ] - [ -0.0011237000000000, -0.0005015500000000, 0.0001920400000000 ] - [ 0.0018846100000000, -0.0006656500000000, -0.0000063900000000 ] - [ -0.0001680900000000, 0.0016967400000000, 0.0004648000000000 ] - [ 0.0000686200000000, 0.0005168700000000, 0.0001473900000000 ] - [ 0.0002154500000000, -0.0004564900000000, 0.0002315700000000 ] - [ 0.0000554900000000, 0.0002712200000000, 0.0001390400000000 ] - [ 0.0002255800000000, 0.0004343800000000, -0.0000766500000000 ] - [ -0.0006016600000000, 0.0017996600000000, -0.0009996600000000 ] - [ -0.0003165700000000, 0.0003574500000000, -0.0002082700000000 ] - [ 0.0027612200000000, -0.0011385800000000, 0.0003344300000000 ] - [ -0.0007361400000000, 0.0005860500000000, 0.0002587600000000 ] - [ 0.0052163600000000, 0.0040754600000000, 0.0034392800000000 ] - [ 0.0009332400000000, 0.0001708500000000, -0.0004356200000000 ] - [ -0.0054391200000000, 0.0015284500000000, -0.0030062900000000 ] - [ -0.0004743600000000, -0.0044654100000000, -0.0008949200000000 ] - [ -0.0002331600000000, -0.0002178000000000, -0.0000141900000000 ] - [ -0.0000424200000000, 0.0026911200000000, 0.0005082800000000 ] - [ -0.0000795200000000, 0.0009148400000000, 0.0002525400000000 ] - [ -0.0001781300000000, -0.0004772200000000, 0.0006720300000000 ] - [ 0.0004241300000000, -0.0037825600000000, 0.0006215700000000 ] - [ -0.0001743200000000, 0.0002084300000000, 0.0006391000000000 ] - [ -0.0003239500000000, 0.0023204300000000, 0.0005216400000000 ] - [ -0.0041355200000000, 0.0035283600000000, -0.0072448700000000 ] - [ 0.0002270200000000, -0.0001148700000000, -0.0008667800000000 ] - [ 0.0047868700000000, 0.0026869800000000, 0.0052323800000000 ] - [ 0.0001245200000000, -0.0001510200000000, -0.0004706400000000 ] - [ -0.0025575900000000, 0.0010069200000000, 0.0020254100000000 ] - [ 0.0007771900000000, -0.0004849000000000, 0.0004801400000000 ] - [ 0.0030945800000000, 0.0001760100000000, -0.0015549100000000 ] - [ -0.0007669300000000, -0.0006286900000000, 0.0000491300000000 ] - [ 0.0000237700000000, -0.0008791800000000, -0.0002940200000000 ] - [ 0.0001102600000000, -0.0031050100000000, -0.0006841400000000 ] - [ 0.0000493700000000, -0.0002793400000000, -0.0002157900000000 ] - [ 0.0000018400000000, 0.0010163800000000, -0.0000461700000000 ] - [ 0.0001398000000000, -0.0000111000000000, -0.0001791700000000 ] - [ 0.0026307700000000, 0.0019580700000000, -0.0037040600000000 ] - [ 0.0002427000000000, -0.0000149100000000, 0.0000009700000000 ] - [ -0.0023124400000000, 0.0017384800000000, 0.0030343300000000 ] - [ -0.0003328200000000, -0.0029974700000000, 0.0000734000000000 ] - [ -0.0002000900000000, -0.0001742200000000, 0.0000849200000000 ] - [ -0.0001863200000000, 0.0020721800000000, -0.0000364700000000 ] - [ -0.0001867600000000, 0.0001491100000000, 0.0000816400000000 ] - [ -0.0004261900000000, 0.0001397400000000, -0.0001313600000000 ] - [ 0.0001641100000000, 0.0001034400000000, 0.0000143200000000 ] - [ 0.0002287500000000, 0.0000562100000000, 0.0000950200000000 ] - [ -0.0003283800000000, 0.0000721300000000, -0.0000688700000000 ] - [ -0.0000234300000000, -0.0007604100000000, 0.0000232600000000 ] - [ 0.0001770500000000, -0.0007015100000000, 0.0000449200000000 ] - [ 0.0001457700000000, 0.0006845800000000, 0.0000431600000000 ] - [ 0.0000324400000000, 0.0006605800000000, 0.0000393000000000 ] - [ -0.0001679100000000, -0.0133850500000000, 0.0032079200000000 ] - [ 0.0000546900000000, -0.0001683700000000, -0.0004926100000000 ] - [ 0.0000449200000000, 0.0021442400000000, -0.0005541600000000 ] - [ 0.0000601000000000, 0.0000454600000000, -0.0005095900000000 ] - [ -0.0000664300000000, -0.0000605900000000, 0.0005184300000000 ] - [ -0.0000136700000000, 0.0004471700000000, 0.0014740300000000 ] - [ -0.0000500300000000, -0.0000610000000000, 0.0004849700000000 ] - [ -0.0001017300000000, 0.0004411000000000, -0.0004890900000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000112200000000, -0.0002469700000000, 0.0001043200000000 ] - [ 0.0000757600000000, -0.0011675200000000, -0.0001995300000000 ] - [ 0.0000057800000000, -0.0000372000000000, 0.0001190400000000 ] - [ 0.0000314400000000, 0.0006536700000000, 0.0001652100000000 ] - [ 0.0000517000000000, -0.0020402100000000, -0.0008258200000000 ] - [ 0.0001449900000000, -0.0001656000000000, -0.0002603800000000 ] - [ 0.0019614300000000, 0.0012841600000000, 0.0013251100000000 ] - [ -0.0001436500000000, -0.0001223700000000, 0.0000184500000000 ] - [ 0.0003635800000000, 0.0002883400000000, 0.0005685800000000 ] - [ 0.0001530300000000, -0.0012272600000000, 0.0017572000000000 ] - [ 0.0001913300000000, 0.0006528000000000, 0.0005106600000000 ] - [ 0.0003654300000000, 0.0020067800000000, -0.0002470900000000 ] - [ -0.0013780500000000, -0.0008071800000000, -0.0024874600000000 ] - [ -0.0002280700000000, 0.0003587500000000, -0.0005736800000000 ] - [ 0.0007222000000000, 0.0022187800000000, 0.0008961800000000 ] - [ -0.0003307300000000, 0.0005730200000000, -0.0005107000000000 ] - [ 0.0006459700000000, -0.0002353400000000, -0.0001719200000000 ] - [ 0.0008914100000000, -0.0017620800000000, -0.0010976200000000 ] - [ 0.0008506700000000, 0.0001445700000000, -0.0001383300000000 ] - [ 0.0006649400000000, 0.0014258400000000, 0.0004179400000000 ] - [ -0.0017785700000000, 0.0021059600000000, -0.0011930900000000 ] - [ -0.0006960100000000, 0.0000668100000000, 0.0001185300000000 ] - [ 0.0005049000000000, -0.0012985300000000, 0.0018095900000000 ] - [ -0.0008028200000000, -0.0001477800000000, 0.0001842100000000 ] - [ -0.0004115200000000, -0.0000983300000000, -0.0002385000000000 ] - [ -0.0003471000000000, -0.0013937900000000, -0.0000332300000000 ] - [ -0.0004051900000000, 0.0000795800000000, -0.0002382200000000 ] - [ -0.0004558200000000, 0.0011170400000000, -0.0001802700000000 ] - [ -0.0000516000000000, 0.0011120600000000, -0.0017274100000000 ] - [ 0.0004426600000000, 0.0000027900000000, 0.0001694700000000 ] - [ 0.0009826400000000, 0.0009311300000000, 0.0021388000000000 ] - [ 0.0003743900000000, -0.0000185200000000, 0.0002993000000000 ] - [ -0.0002439600000000, -0.0000925000000000, 0.0004055200000000 ] - [ 0.0012750600000000, -0.0002380600000000, 0.0016842000000000 ] - [ 0.0001324200000000, 0.0001806700000000, 0.0001062600000000 ] - [ -0.0007408400000000, 0.0011224600000000, -0.0009900300000000 ] - [ -0.0002989300000000, -0.0024251700000000, -0.0009522900000000 ] - [ -0.0000834400000000, -0.0002877400000000, -0.0004318400000000 ] - [ -0.0001359500000000, 0.0014552700000000, 0.0004706800000000 ] - [ 0.0001656100000000, 0.0004109500000000, -0.0000530300000000 ] - [ -0.0007673200000000, -0.0001235800000000, -0.0002170500000000 ] - [ -0.0008514100000000, -0.0018875100000000, -0.0003218200000000 ] - [ -0.0010919500000000, 0.0004491800000000, 0.0000152900000000 ] - [ -0.0004045800000000, 0.0024074400000000, 0.0008817700000000 ] - [ -0.0004232000000000, -0.0018377400000000, 0.0011607300000000 ] - [ 0.0010316800000000, -0.0002536000000000, 0.0002440300000000 ] - [ 0.0013866700000000, 0.0017161400000000, -0.0003968900000000 ] - [ 0.0008300900000000, 0.0005198200000000, -0.0000030400000000 ] - [ 0.0001780600000000, -0.0013624800000000, -0.0003180700000000 ] - [ 0.0000013800000000, -0.0009358300000000, -0.0001351100000000 ] - [ 0.0002352900000000, -0.0000249400000000, 0.0000110900000000 ] - [ 0.0001693700000000, -0.0001981400000000, 0.0000131000000000 ] - [ -0.0012174500000000, -0.0004327000000000, 0.0002334400000000 ] - [ 0.0022230900000000, -0.0002046400000000, 0.0002224800000000 ] - [ 0.0008408000000000, -0.0005650500000000, -0.0001356600000000 ] - [ -0.0021621500000000, -0.0003950400000000, 0.0000665700000000 ] - [ 0.0002670600000000, -0.0009045800000000, -0.0001999700000000 ] - [ 0.0000240800000000, 0.0002778400000000, 0.0001248700000000 ] - [ -0.0001230200000000, 0.0012511700000000, 0.0000413600000000 ] - [ 0.0000394400000000, 0.0005233000000000, 0.0001336700000000 ] - [ -0.0003198000000000, 0.0003610000000000, -0.0001948700000000 ] - [ 0.0003897600000000, -0.0011574500000000, 0.0007330600000000 ] - [ 0.0002229800000000, 0.0004388900000000, -0.0000636000000000 ] - [ -0.0028429300000000, 0.0019492900000000, -0.0006027000000000 ] - [ 0.0009505400000000, 0.0001510500000000, -0.0004567200000000 ] - [ -0.0050350900000000, -0.0033555900000000, -0.0036452800000000 ] - [ -0.0007215900000000, 0.0005623700000000, 0.0002382300000000 ] - [ 0.0056141100000000, -0.0008338200000000, 0.0027824700000000 ] - [ 0.0002403300000000, 0.0052291900000000, 0.0011204000000000 ] - [ 0.0000250300000000, 0.0009556000000000, 0.0002099300000000 ] - [ -0.0001649100000000, -0.0019558300000000, -0.0003147300000000 ] - [ -0.0001334700000000, -0.0001796500000000, -0.0000551400000000 ] - [ -0.0001683200000000, 0.0002140000000000, 0.0006549300000000 ] - [ -0.0007323900000000, 0.0035245000000000, 0.0006871800000000 ] - [ -0.0001704800000000, -0.0004737100000000, 0.0006875400000000 ] - [ -0.0000251100000000, -0.0025866400000000, 0.0008084600000000 ] - [ 0.0045316600000000, -0.0038141200000000, 0.0059552300000000 ] - [ 0.0001188200000000, -0.0001481300000000, -0.0004596000000000 ] - [ -0.0043994100000000, -0.0029488400000000, -0.0065135400000000 ] - [ 0.0002221200000000, -0.0001153000000000, -0.0008559400000000 ] - [ 0.0025464900000000, -0.0021454000000000, -0.0015261000000000 ] - [ -0.0008041400000000, -0.0006527200000000, 0.0000279000000000 ] - [ -0.0031025300000000, -0.0013284000000000, 0.0020542600000000 ] - [ 0.0007426800000000, -0.0005110400000000, 0.0004596500000000 ] - [ -0.0000023300000000, -0.0002612500000000, -0.0002159100000000 ] - [ -0.0000722300000000, 0.0019747700000000, 0.0001809100000000 ] - [ -0.0000232400000000, -0.0008634100000000, -0.0002933100000000 ] - [ 0.0000201200000000, -0.0021606100000000, -0.0004640200000000 ] - [ 0.0002450900000000, -0.0000145300000000, 0.0000006500000000 ] - [ -0.0022705000000000, -0.0019896100000000, 0.0035537200000000 ] - [ 0.0001411900000000, -0.0000130100000000, -0.0001786000000000 ] - [ 0.0026771600000000, -0.0017651300000000, -0.0031868700000000 ] - [ -0.0000681100000000, 0.0029766300000000, 0.0000915600000000 ] - [ -0.0001839600000000, 0.0001496400000000, 0.0000929000000000 ] - [ -0.0001961100000000, -0.0020989200000000, 0.0002157900000000 ] - [ -0.0001978200000000, -0.0001742500000000, 0.0000955600000000 ] - [ 0.0002487400000000, -0.0000105200000000, 0.0000808700000000 ] - [ -0.0003428000000000, 0.0000255800000000, -0.0000655000000000 ] - [ -0.0004069900000000, 0.0000688900000000, -0.0001457200000000 ] - [ 0.0001507000000000, 0.0000531900000000, 0.0000180100000000 ] - [ 0.0001958400000000, 0.0008896600000000, 0.0000258200000000 ] - [ 0.0000062900000000, 0.0008308800000000, 0.0000054300000000 ] - [ 0.0000342800000000, -0.0005574800000000, 0.0000081800000000 ] - [ 0.0001438100000000, -0.0005334500000000, 0.0000118200000000 ] - [ 0.0002975200000000, 0.0135422800000000, -0.0042642500000000 ] - [ 0.0000602500000000, 0.0000461700000000, -0.0005113200000000 ] - [ 0.0000702400000000, -0.0022677500000000, -0.0004489600000000 ] - [ 0.0000548500000000, -0.0001680000000000, -0.0004942600000000 ] - [ -0.0000486100000000, -0.0000614200000000, 0.0004853300000000 ] - [ -0.0001012500000000, -0.0005639800000000, -0.0004753300000000 ] - [ -0.0000650600000000, -0.0000618900000000, 0.0005187900000000 ] - [ -0.0000136800000000, -0.0005700100000000, 0.0014881200000000 ]- atom: 105 displacement: [ -0.0000420865839018, 0.0000000000000000, 0.0099999114355806 ] forces: - [ 0.0001201300000000, -0.0001433200000000, -0.0001147600000000 ] - [ 0.0003158300000000, -0.0004319200000000, -0.0043138800000000 ] - [ 0.0000271300000000, -0.0001496200000000, 0.0000109900000000 ] - [ -0.0000179300000000, -0.0002152600000000, -0.0006077800000000 ] - [ -0.0001146300000000, -0.0004555200000000, 0.0021544400000000 ] - [ 0.0000009600000000, -0.0001410300000000, -0.0000161400000000 ] - [ -0.0003900800000000, -0.0004599600000000, 0.0022498400000000 ] - [ -0.0000314300000000, -0.0001573200000000, 0.0000189100000000 ] - [ 0.0002157500000000, 0.0004551100000000, 0.0004994300000000 ] - [ 0.0021501800000000, -0.0003198100000000, -0.0008890400000000 ] - [ 0.0002508800000000, 0.0004238600000000, 0.0005401600000000 ] - [ 0.0005086000000000, 0.0007620200000000, 0.0003861300000000 ] - [ -0.0013116900000000, 0.0015754700000000, -0.0010932500000000 ] - [ -0.0001848600000000, 0.0004638700000000, -0.0005579200000000 ] - [ -0.0008842200000000, -0.0005236800000000, -0.0006297700000000 ] - [ -0.0002302500000000, 0.0004249000000000, -0.0005318100000000 ] - [ 0.0007194600000000, -0.0000291600000000, -0.0002059300000000 ] - [ 0.0023743500000000, 0.0006848600000000, -0.0013001000000000 ] - [ 0.0007274200000000, 0.0000017600000000, -0.0001530000000000 ] - [ 0.0009737500000000, -0.0003552800000000, -0.0004184800000000 ] - [ -0.0013288500000000, 0.0007126200000000, 0.0002838800000000 ] - [ -0.0007196800000000, 0.0000085700000000, 0.0001547800000000 ] - [ -0.0020004400000000, -0.0014554200000000, -0.0002989400000000 ] - [ -0.0006480400000000, -0.0000565500000000, 0.0001519900000000 ] - [ -0.0004245200000000, -0.0000132400000000, -0.0002813500000000 ] - [ -0.0006510400000000, -0.0005609000000000, 0.0061385200000000 ] - [ -0.0004467100000000, -0.0000082600000000, -0.0002402400000000 ] - [ -0.0001979900000000, -0.0000590700000000, -0.0005289000000000 ] - [ -0.0002174700000000, 0.0014243900000000, -0.0002199400000000 ] - [ 0.0005132500000000, -0.0000029900000000, 0.0002337700000000 ] - [ -0.0002594200000000, -0.0018611300000000, -0.0002505000000000 ] - [ 0.0005111100000000, -0.0000185600000000, 0.0002464800000000 ] - [ 0.0000558200000000, -0.0001402900000000, 0.0003920000000000 ] - [ -0.0008240300000000, -0.0009870400000000, 0.0008056800000000 ] - [ -0.0000099900000000, 0.0000858500000000, 0.0002319500000000 ] - [ -0.0002066900000000, 0.0008576500000000, 0.0001958700000000 ] - [ -0.0011589200000000, -0.0001307700000000, 0.0009110900000000 ] - [ -0.0000124100000000, -0.0000105700000000, -0.0002496500000000 ] - [ 0.0000096000000000, 0.0000194100000000, -0.0001324100000000 ] - [ 0.0000489700000000, 0.0000226400000000, -0.0002872400000000 ] - [ -0.0008162100000000, 0.0002945700000000, 0.0000098000000000 ] - [ -0.0002398700000000, 0.0006417000000000, 0.0014431800000000 ] - [ -0.0009213000000000, 0.0001247500000000, -0.0000635700000000 ] - [ -0.0008299300000000, 0.0001123100000000, 0.0002454400000000 ] - [ 0.0024231900000000, -0.0008348000000000, -0.0006742200000000 ] - [ 0.0008932400000000, 0.0001286300000000, 0.0001036600000000 ] - [ 0.0010773200000000, 0.0008537500000000, -0.0000190600000000 ] - [ 0.0009249200000000, 0.0002337100000000, 0.0000403500000000 ] - [ 0.0014486200000000, -0.0003973500000000, -0.0008438200000000 ] - [ -0.0002304200000000, -0.0005539300000000, -0.0002677600000000 ] - [ 0.0001950000000000, -0.0004347700000000, -0.0001381100000000 ] - [ 0.0000667100000000, -0.0004959000000000, -0.0001058400000000 ] - [ -0.0000166800000000, -0.0006190600000000, 0.0002856200000000 ] - [ -0.0002094000000000, -0.0005627000000000, 0.0004372100000000 ] - [ 0.0001786200000000, -0.0003431900000000, 0.0002623900000000 ] - [ -0.0007271000000000, 0.0000366300000000, 0.0004935000000000 ] - [ 0.0004983200000000, 0.0004431000000000, -0.0033597900000000 ] - [ -0.0000290700000000, 0.0004177700000000, 0.0001016100000000 ] - [ -0.0000292100000000, 0.0004505300000000, -0.0003160900000000 ] - [ 0.0000470600000000, 0.0004135700000000, 0.0001277600000000 ] - [ 0.0000045900000000, 0.0004054200000000, -0.0000748600000000 ] - [ 0.0001881600000000, 0.0003335700000000, 0.0016989700000000 ] - [ 0.0000637800000000, 0.0004599500000000, -0.0000744600000000 ] - [ 0.0003217400000000, 0.0010470700000000, 0.0015908800000000 ] - [ -0.0000205600000000, 0.0004878900000000, -0.0002752500000000 ] - [ 0.0001884600000000, 0.0013331300000000, -0.0021750800000000 ] - [ -0.0001534400000000, 0.0001882700000000, -0.0000819100000000 ] - [ 0.0011620300000000, -0.0032346800000000, -0.0015638500000000 ] - [ -0.0044726400000000, 0.0004253900000000, 0.0046581200000000 ] - [ 0.0001699000000000, 0.0004121200000000, 0.0000524200000000 ] - [ -0.0001214100000000, -0.0001948500000000, 0.0004284000000000 ] - [ -0.0001050500000000, 0.0003179600000000, 0.0001456600000000 ] - [ -0.0001371900000000, -0.0001192200000000, 0.0009364900000000 ] - [ -0.0060631500000000, 0.0001416700000000, 0.0094201400000000 ] - [ -0.0001403300000000, -0.0001250400000000, 0.0007486500000000 ] - [ -0.0002596100000000, -0.0000593600000000, 0.0017160200000000 ] - [ 0.0027133100000000, -0.0038369100000000, -0.0015903500000000 ] - [ 0.0000577400000000, -0.0001806900000000, -0.0007463000000000 ] - [ 0.0027601000000000, 0.0045065300000000, -0.0019997800000000 ] - [ 0.0000523900000000, -0.0000606000000000, -0.0007999200000000 ] - [ -0.0003064500000000, 0.0004976100000000, -0.0013190100000000 ] - [ 0.0000451700000000, -0.0005479200000000, 0.0001979600000000 ] - [ -0.0007846800000000, -0.0024952500000000, -0.0010069200000000 ] - [ 0.0002103800000000, -0.0005787000000000, 0.0002652800000000 ] - [ -0.0005838700000000, -0.0005157600000000, -0.0003063700000000 ] - [ 0.0019776400000000, -0.0002620100000000, 0.0018703500000000 ] - [ -0.0000216300000000, -0.0005940500000000, -0.0002080600000000 ] - [ 0.0000535300000000, -0.0008017500000000, 0.0000188800000000 ] - [ 0.0001916100000000, 0.0000021900000000, -0.0001387500000000 ] - [ -0.0015237100000000, -0.0025990000000000, -0.0001521600000000 ] - [ 0.0001969400000000, -0.0000150400000000, -0.0001685600000000 ] - [ -0.0014193900000000, 0.0026317500000000, -0.0004526300000000 ] - [ 0.0032251500000000, 0.0002068200000000, 0.0062531600000000 ] - [ -0.0002696500000000, -0.0000047800000000, 0.0001747300000000 ] - [ -0.0001457300000000, 0.0000044400000000, 0.0007964600000000 ] - [ -0.0002274800000000, -0.0000146300000000, 0.0001213900000000 ] - [ -0.0000002800000000, 0.0001490300000000, 0.0003675400000000 ] - [ -0.0002365200000000, -0.0000057600000000, 0.0002308200000000 ] - [ 0.0000266400000000, -0.0000273100000000, 0.0003716100000000 ] - [ -0.0002555400000000, 0.0001391000000000, 0.0002529800000000 ] - [ 0.0005816300000000, 0.0000720700000000, -0.0005167900000000 ] - [ -0.0004091800000000, 0.0000917000000000, -0.0004710500000000 ] - [ 0.0002698100000000, 0.0000530600000000, -0.0001281900000000 ] - [ 0.0000079800000000, 0.0000319900000000, -0.0001205800000000 ] - [ 0.0021515300000000, 0.0036597200000000, -0.0215701500000000 ] - [ 0.0000265200000000, -0.0000528400000000, -0.0005401900000000 ] - [ -0.0000102700000000, -0.0001143100000000, -0.0009113900000000 ] - [ 0.0000401900000000, -0.0000698600000000, -0.0005232100000000 ] - [ -0.0000831600000000, -0.0000452000000000, 0.0005318000000000 ] - [ 0.0001122000000000, 0.0009212500000000, 0.0022442800000000 ] - [ -0.0000793200000000, -0.0000787500000000, 0.0005319900000000 ] - [ 0.0000753700000000, -0.0010310400000000, 0.0022436700000000 ]- atom: 105 displacement: [ 0.0000420865839018, 0.0000000000000000, -0.0099999114355806 ] forces: - [ -0.0000932900000000, -0.0001569500000000, 0.0002308000000000 ] - [ -0.0002867000000000, 0.0001319600000000, 0.0044303800000000 ] - [ 0.0000008400000000, -0.0001515700000000, 0.0001051100000000 ] - [ 0.0000466400000000, -0.0000858200000000, 0.0007193200000000 ] - [ 0.0000943400000000, 0.0001467700000000, -0.0022465900000000 ] - [ -0.0000288000000000, -0.0001598000000000, -0.0000986500000000 ] - [ 0.0003672800000000, 0.0001617800000000, -0.0023456400000000 ] - [ 0.0000032100000000, -0.0001429600000000, -0.0001379300000000 ] - [ 0.0003817300000000, 0.0003690500000000, 0.0006575500000000 ] - [ -0.0015373900000000, 0.0011316100000000, 0.0020433500000000 ] - [ 0.0003379700000000, 0.0004034700000000, 0.0006133700000000 ] - [ 0.0000854400000000, 0.0000622300000000, 0.0007726300000000 ] - [ 0.0007114400000000, -0.0007322200000000, -0.0000507600000000 ] - [ -0.0004066300000000, 0.0003637900000000, -0.0005943000000000 ] - [ 0.0002935500000000, 0.0013463000000000, -0.0005197700000000 ] - [ -0.0003606000000000, 0.0004026800000000, -0.0006207400000000 ] - [ 0.0008280300000000, 0.0000776600000000, -0.0000503500000000 ] - [ -0.0008073400000000, -0.0006217500000000, 0.0010420600000000 ] - [ 0.0008257300000000, 0.0000493100000000, -0.0001035500000000 ] - [ 0.0005769600000000, 0.0004036700000000, 0.0001637300000000 ] - [ -0.0002225700000000, -0.0006599400000000, -0.0000192500000000 ] - [ -0.0008344600000000, 0.0000438100000000, 0.0001030700000000 ] - [ 0.0004379000000000, 0.0015016100000000, 0.0005725300000000 ] - [ -0.0009047800000000, 0.0001080400000000, 0.0001058700000000 ] - [ -0.0005134100000000, 0.0000006900000000, -0.0001656700000000 ] - [ -0.0003800000000000, 0.0005245000000000, -0.0061082200000000 ] - [ -0.0004930100000000, -0.0000052600000000, -0.0002052600000000 ] - [ -0.0007419200000000, 0.0000456500000000, 0.0000828500000000 ] - [ 0.0011525300000000, -0.0014235300000000, 0.0006733400000000 ] - [ 0.0004256700000000, -0.0000106700000000, 0.0002136500000000 ] - [ 0.0011929100000000, 0.0018330800000000, 0.0007101200000000 ] - [ 0.0004230300000000, 0.0000038900000000, 0.0002045300000000 ] - [ -0.0001561000000000, 0.0001844400000000, 0.0001675600000000 ] - [ 0.0007235900000000, 0.0010340500000000, -0.0002528300000000 ] - [ -0.0000916100000000, -0.0000427700000000, 0.0003321000000000 ] - [ 0.0001057300000000, -0.0008085300000000, 0.0003629800000000 ] - [ 0.0013385500000000, 0.0001831100000000, -0.0015261500000000 ] - [ 0.0001141600000000, 0.0000545700000000, -0.0003152200000000 ] - [ 0.0000942700000000, 0.0000220700000000, -0.0004401800000000 ] - [ 0.0000532300000000, 0.0000203300000000, -0.0002809700000000 ] - [ -0.0010541100000000, 0.0000925700000000, -0.0002064100000000 ] - [ -0.0016791300000000, -0.0002278200000000, -0.0016502400000000 ] - [ -0.0009481600000000, 0.0002612900000000, -0.0001316400000000 ] - [ -0.0010435200000000, 0.0002686800000000, -0.0004477300000000 ] - [ -0.0005604700000000, 0.0012280300000000, 0.0008582400000000 ] - [ 0.0009768800000000, 0.0002569200000000, 0.0000893400000000 ] - [ 0.0007919000000000, -0.0004660200000000, 0.0002097100000000 ] - [ 0.0009454200000000, 0.0001526700000000, 0.0001538600000000 ] - [ -0.0012666300000000, -0.0006897400000000, 0.0008176900000000 ] - [ 0.0004178500000000, -0.0005311000000000, 0.0002499400000000 ] - [ -0.0000123800000000, -0.0006504200000000, 0.0001258400000000 ] - [ 0.0001185400000000, -0.0005884700000000, 0.0000909100000000 ] - [ -0.0001703200000000, -0.0004654700000000, -0.0002682500000000 ] - [ 0.0000149300000000, -0.0005231200000000, -0.0004256700000000 ] - [ -0.0003608500000000, -0.0007412200000000, -0.0002477100000000 ] - [ 0.0005329600000000, -0.0011170200000000, -0.0004765900000000 ] - [ -0.0004017000000000, 0.0003439600000000, 0.0036872500000000 ] - [ 0.0001502200000000, 0.0003675600000000, 0.0002272400000000 ] - [ 0.0001468200000000, 0.0003372400000000, 0.0006457000000000 ] - [ 0.0000721800000000, 0.0003730600000000, 0.0002015500000000 ] - [ -0.0001281400000000, 0.0003785100000000, -0.0002569300000000 ] - [ -0.0003145300000000, 0.0004502200000000, -0.0020294800000000 ] - [ -0.0001837000000000, 0.0003264000000000, -0.0002556900000000 ] - [ -0.0004462400000000, -0.0002506000000000, -0.0019175700000000 ] - [ 0.0002317100000000, 0.0002508300000000, 0.0000855500000000 ] - [ 0.0000432300000000, -0.0005843500000000, 0.0020117300000000 ] - [ 0.0003606400000000, 0.0005496300000000, -0.0001095900000000 ] - [ -0.0009432100000000, 0.0039495900000000, 0.0013787900000000 ] - [ 0.0043220000000000, 0.0003213800000000, -0.0044285400000000 ] - [ -0.0003801900000000, 0.0003270900000000, 0.0001420200000000 ] - [ -0.0000853800000000, 0.0009347900000000, -0.0002302200000000 ] - [ -0.0001035800000000, 0.0004210900000000, 0.0000491900000000 ] - [ -0.0002224200000000, -0.0001462800000000, 0.0003825300000000 ] - [ 0.0056651100000000, -0.0004154700000000, -0.0080258900000000 ] - [ -0.0002171200000000, -0.0001453000000000, 0.0005707000000000 ] - [ -0.0001003500000000, -0.0002068400000000, -0.0003951400000000 ] - [ -0.0023405600000000, 0.0035420900000000, 0.0002150800000000 ] - [ 0.0003026900000000, -0.0000903400000000, -0.0005745400000000 ] - [ -0.0023808000000000, -0.0047486800000000, 0.0006457600000000 ] - [ 0.0003100200000000, -0.0002096800000000, -0.0005217400000000 ] - [ 0.0002672600000000, -0.0016305600000000, 0.0018293900000000 ] - [ -0.0000738900000000, -0.0005893700000000, 0.0003025600000000 ] - [ 0.0007462600000000, 0.0013486600000000, 0.0015130800000000 ] - [ -0.0002387100000000, -0.0005585200000000, 0.0002349400000000 ] - [ 0.0006157700000000, -0.0006256100000000, -0.0001925000000000 ] - [ -0.0019623000000000, -0.0008771300000000, -0.0023552700000000 ] - [ 0.0000537200000000, -0.0005470000000000, -0.0002908400000000 ] - [ -0.0000225800000000, -0.0003395200000000, -0.0005134400000000 ] - [ 0.0001809600000000, -0.0000316200000000, -0.0000459000000000 ] - [ 0.0018853500000000, 0.0025484000000000, -0.0000535100000000 ] - [ 0.0001753400000000, -0.0000146400000000, -0.0000157400000000 ] - [ 0.0017829400000000, -0.0026393500000000, 0.0002512100000000 ] - [ -0.0035521200000000, -0.0002334700000000, -0.0060192100000000 ] - [ -0.0001024900000000, -0.0000229900000000, 0.0000092300000000 ] - [ -0.0002246200000000, -0.0000322100000000, -0.0006123800000000 ] - [ -0.0001443900000000, -0.0000136200000000, 0.0000626200000000 ] - [ -0.0001754400000000, -0.0000200000000000, -0.0004239900000000 ] - [ 0.0000569500000000, 0.0001342500000000, -0.0002869700000000 ] - [ -0.0002019900000000, 0.0001585700000000, -0.0004285600000000 ] - [ 0.0000755300000000, -0.0000072200000000, -0.0003084900000000 ] - [ -0.0004076100000000, 0.0000587700000000, 0.0005695300000000 ] - [ 0.0005879500000000, 0.0000384600000000, 0.0005222700000000 ] - [ -0.0000924100000000, 0.0000771500000000, 0.0001843900000000 ] - [ 0.0001697300000000, 0.0000982200000000, 0.0001763000000000 ] - [ -0.0020167800000000, -0.0038157900000000, 0.0199957100000000 ] - [ 0.0000879200000000, -0.0000730800000000, -0.0004689400000000 ] - [ 0.0001243700000000, -0.0000106600000000, -0.0000989300000000 ] - [ 0.0000746000000000, -0.0000559700000000, -0.0004857400000000 ] - [ -0.0000312700000000, -0.0000805600000000, 0.0004771200000000 ] - [ -0.0002275500000000, -0.0010569700000000, -0.0012345600000000 ] - [ -0.0000350300000000, -0.0000471100000000, 0.0004774700000000 ] - [ -0.0001911900000000, 0.0009164900000000, -0.0012347600000000 ]