# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5d1eb0ee-0008-4a01-bcc0-5217a0b087c4/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 La6B(NO2)3 / Cmcm (63) / materials id 560824](https://mdr.nims.go.jp/datasets/c93ac8e2-4b57-4f2d-9ba9-3d42da28cc63) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 1.817082220000000, -12.401996315000000, 0.000000000000000 ] # a - [ 1.817082220000000, 12.401996315000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.864522200000000 ] # c points: - symbol: La # 1 coordinates: [ 0.548435300000000, 0.451564700000000, 0.250000000000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.687243790000000, 0.312756210000000, 0.068685460000000 ] mass: 138.905470 - symbol: La # 3 coordinates: [ 0.687243790000000, 0.312756210000000, 0.431314540000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.932453090000000, 0.067546910000000, 0.433770710000000 ] mass: 138.905470 - symbol: La # 5 coordinates: [ 0.698963230000000, 0.301036770000000, 0.750000000000000 ] mass: 138.905470 - symbol: La # 6 coordinates: [ 0.312756210000000, 0.687243790000000, 0.931314540000000 ] mass: 138.905470 - symbol: La # 7 coordinates: [ 0.067546910000000, 0.932453090000000, 0.566229290000000 ] mass: 138.905470 - symbol: La # 8 coordinates: [ 0.301036770000000, 0.698963230000000, 0.250000000000000 ] mass: 138.905470 - symbol: La # 9 coordinates: [ 0.451564700000000, 0.548435300000000, 0.750000000000000 ] mass: 138.905470 - symbol: La # 10 coordinates: [ 0.932453090000000, 0.067546910000000, 0.066229290000000 ] mass: 138.905470 - symbol: La # 11 coordinates: [ 0.067546910000000, 0.932453090000000, 0.933770710000000 ] mass: 138.905470 - symbol: La # 12 coordinates: [ 0.312756210000000, 0.687243790000000, 0.568685460000000 ] mass: 138.905470 - symbol: B # 13 coordinates: [ 0.859137640000000, 0.140862360000000, 0.750000000000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.140862360000000, 0.859137640000000, 0.250000000000000 ] mass: 10.811000 - symbol: N # 15 coordinates: [ 0.799866310000000, 0.200133690000000, 0.750000000000000 ] mass: 14.006700 - symbol: N # 16 coordinates: [ 0.889004220000000, 0.110995780000000, 0.867147450000000 ] mass: 14.006700 - symbol: N # 17 coordinates: [ 0.110995780000000, 0.889004220000000, 0.132852550000000 ] mass: 14.006700 - symbol: N # 18 coordinates: [ 0.200133690000000, 0.799866310000000, 0.250000000000000 ] mass: 14.006700 - symbol: N # 19 coordinates: [ 0.110995780000000, 0.889004220000000, 0.367147450000000 ] mass: 14.006700 - symbol: N # 20 coordinates: [ 0.889004220000000, 0.110995780000000, 0.632852550000000 ] mass: 14.006700 - symbol: O # 21 coordinates: [ 0.376581670000000, 0.623418330000000, 0.393464440000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.782867780000000, 0.217132220000000, 0.408586220000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.988027290000000, 0.011972710000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.782867780000000, 0.217132220000000, 0.091413780000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.217132220000000, 0.782867780000000, 0.591413780000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.217132220000000, 0.782867780000000, 0.908586220000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.376581670000000, 0.623418330000000, 0.106535560000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.623418330000000, 0.376581670000000, 0.893464440000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.011972710000000, 0.988027290000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.623418330000000, 0.376581670000000, 0.606535560000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.275166414869218, -0.040316090031027, 0.000000000000000 ] # a* - [ 0.275166414869218, 0.040316090031027, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.092042703912005 ] # c*unit_cell: lattice: - [ 3.634164440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 24.803992630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.864522200000000 ] # c points: - symbol: La # 1 coordinates: [ 0.000000000000000, 0.451564700000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.000000000000000, 0.312756210000000, 0.068685460000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.000000000000000, 0.312756210000000, 0.431314540000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.000000000000000, 0.067546910000000, 0.433770710000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.000000000000000, 0.301036770000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.500000000000000, 0.187243790000000, 0.931314540000000 ] mass: 138.905470 reduced_to: 6 - symbol: La # 7 coordinates: [ 0.500000000000000, 0.432453090000000, 0.566229290000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.500000000000000, 0.198963230000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 8 - symbol: La # 9 coordinates: [ 0.500000000000000, 0.048435300000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.000000000000000, 0.067546910000000, 0.066229290000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 11 coordinates: [ 0.500000000000000, 0.432453090000000, 0.933770710000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 12 coordinates: [ 0.500000000000000, 0.187243790000000, 0.568685460000000 ] mass: 138.905470 reduced_to: 12 - symbol: La # 13 coordinates: [ 0.500000000000000, 0.951564700000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 14 coordinates: [ 0.500000000000000, 0.812756210000000, 0.068685460000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 15 coordinates: [ 0.500000000000000, 0.812756210000000, 0.431314540000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 16 coordinates: [ 0.500000000000000, 0.567546910000000, 0.433770710000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 17 coordinates: [ 0.500000000000000, 0.801036770000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 18 coordinates: [ 0.000000000000000, 0.687243790000000, 0.931314540000000 ] mass: 138.905470 reduced_to: 6 - symbol: La # 19 coordinates: [ 0.000000000000000, 0.932453090000000, 0.566229290000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 20 coordinates: [ 0.000000000000000, 0.698963230000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 8 - symbol: La # 21 coordinates: [ 0.000000000000000, 0.548435300000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 22 coordinates: [ 0.500000000000000, 0.567546910000000, 0.066229290000000 ] mass: 138.905470 reduced_to: 10 - symbol: La # 23 coordinates: [ 0.000000000000000, 0.932453090000000, 0.933770710000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 24 coordinates: [ 0.000000000000000, 0.687243790000000, 0.568685460000000 ] mass: 138.905470 reduced_to: 12 - symbol: B # 25 coordinates: [ 0.000000000000000, 0.140862360000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.500000000000000, 0.359137640000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 26 - symbol: B # 27 coordinates: [ 0.500000000000000, 0.640862360000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 28 coordinates: [ 0.000000000000000, 0.859137640000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 26 - symbol: N # 29 coordinates: [ 0.000000000000000, 0.200133690000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 29 - symbol: N # 30 coordinates: [ 0.000000000000000, 0.110995780000000, 0.867147450000000 ] mass: 14.006700 reduced_to: 30 - symbol: N # 31 coordinates: [ 0.500000000000000, 0.389004220000000, 0.132852550000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 32 coordinates: [ 0.500000000000000, 0.299866310000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 32 - symbol: N # 33 coordinates: [ 0.500000000000000, 0.389004220000000, 0.367147450000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 34 coordinates: [ 0.000000000000000, 0.110995780000000, 0.632852550000000 ] mass: 14.006700 reduced_to: 34 - symbol: N # 35 coordinates: [ 0.500000000000000, 0.700133690000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 29 - symbol: N # 36 coordinates: [ 0.500000000000000, 0.610995780000000, 0.867147450000000 ] mass: 14.006700 reduced_to: 30 - symbol: N # 37 coordinates: [ 0.000000000000000, 0.889004220000000, 0.132852550000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 38 coordinates: [ 0.000000000000000, 0.799866310000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 32 - symbol: N # 39 coordinates: [ 0.000000000000000, 0.889004220000000, 0.367147450000000 ] mass: 14.006700 reduced_to: 33 - symbol: N # 40 coordinates: [ 0.500000000000000, 0.610995780000000, 0.632852550000000 ] mass: 14.006700 reduced_to: 34 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.123418330000000, 0.393464440000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.217132220000000, 0.408586220000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.011972710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.217132220000000, 0.091413780000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.282867780000000, 0.591413780000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.282867780000000, 0.908586220000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.123418330000000, 0.106535560000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.376581670000000, 0.893464440000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.488027290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.376581670000000, 0.606535560000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.623418330000000, 0.393464440000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.717132220000000, 0.408586220000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.511972710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.717132220000000, 0.091413780000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.782867780000000, 0.591413780000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.782867780000000, 0.908586220000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.623418330000000, 0.106535560000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.876581670000000, 0.893464440000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.988027290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.876581670000000, 0.606535560000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 63 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52supercell: lattice: - [ 7.268328880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 24.803992630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.864522200000000 ] # c points: - symbol: La # 1 coordinates: [ 0.000000000000000, 0.451564700000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.500000000000000, 0.451564700000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.000000000000000, 0.312756210000000, 0.068685460000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.500000000000000, 0.312756210000000, 0.068685460000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 5 coordinates: [ 0.000000000000000, 0.312756210000000, 0.431314540000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.500000000000000, 0.312756210000000, 0.431314540000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 7 coordinates: [ 0.000000000000000, 0.067546910000000, 0.433770710000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.500000000000000, 0.067546910000000, 0.433770710000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 9 coordinates: [ 0.000000000000000, 0.301036770000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.500000000000000, 0.301036770000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 11 coordinates: [ 0.250000000000000, 0.187243790000000, 0.931314540000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 12 coordinates: [ 0.750000000000000, 0.187243790000000, 0.931314540000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 13 coordinates: [ 0.250000000000000, 0.432453090000000, 0.566229290000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.750000000000000, 0.432453090000000, 0.566229290000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 15 coordinates: [ 0.250000000000000, 0.198963230000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 16 coordinates: [ 0.750000000000000, 0.198963230000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 17 coordinates: [ 0.250000000000000, 0.048435300000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 18 coordinates: [ 0.750000000000000, 0.048435300000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 19 coordinates: [ 0.000000000000000, 0.067546910000000, 0.066229290000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 20 coordinates: [ 0.500000000000000, 0.067546910000000, 0.066229290000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 21 coordinates: [ 0.250000000000000, 0.432453090000000, 0.933770710000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 22 coordinates: [ 0.750000000000000, 0.432453090000000, 0.933770710000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 23 coordinates: [ 0.250000000000000, 0.187243790000000, 0.568685460000000 ] mass: 138.905470 reduced_to: 23 - symbol: La # 24 coordinates: [ 0.750000000000000, 0.187243790000000, 0.568685460000000 ] mass: 138.905470 reduced_to: 23 - symbol: La # 25 coordinates: [ 0.250000000000000, 0.951564700000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 26 coordinates: [ 0.750000000000000, 0.951564700000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 27 coordinates: [ 0.250000000000000, 0.812756210000000, 0.068685460000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 28 coordinates: [ 0.750000000000000, 0.812756210000000, 0.068685460000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 29 coordinates: [ 0.250000000000000, 0.812756210000000, 0.431314540000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 30 coordinates: [ 0.750000000000000, 0.812756210000000, 0.431314540000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 31 coordinates: [ 0.250000000000000, 0.567546910000000, 0.433770710000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 32 coordinates: [ 0.750000000000000, 0.567546910000000, 0.433770710000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 33 coordinates: [ 0.250000000000000, 0.801036770000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 34 coordinates: [ 0.750000000000000, 0.801036770000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 35 coordinates: [ 0.000000000000000, 0.687243790000000, 0.931314540000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 36 coordinates: [ 0.500000000000000, 0.687243790000000, 0.931314540000000 ] mass: 138.905470 reduced_to: 11 - symbol: La # 37 coordinates: [ 0.000000000000000, 0.932453090000000, 0.566229290000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 38 coordinates: [ 0.500000000000000, 0.932453090000000, 0.566229290000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 39 coordinates: [ 0.000000000000000, 0.698963230000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 40 coordinates: [ 0.500000000000000, 0.698963230000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 15 - symbol: La # 41 coordinates: [ 0.000000000000000, 0.548435300000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 42 coordinates: [ 0.500000000000000, 0.548435300000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 17 - symbol: La # 43 coordinates: [ 0.250000000000000, 0.567546910000000, 0.066229290000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 44 coordinates: [ 0.750000000000000, 0.567546910000000, 0.066229290000000 ] mass: 138.905470 reduced_to: 19 - symbol: La # 45 coordinates: [ 0.000000000000000, 0.932453090000000, 0.933770710000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 46 coordinates: [ 0.500000000000000, 0.932453090000000, 0.933770710000000 ] mass: 138.905470 reduced_to: 21 - symbol: La # 47 coordinates: [ 0.000000000000000, 0.687243790000000, 0.568685460000000 ] mass: 138.905470 reduced_to: 23 - symbol: La # 48 coordinates: [ 0.500000000000000, 0.687243790000000, 0.568685460000000 ] mass: 138.905470 reduced_to: 23 - symbol: B # 49 coordinates: [ 0.000000000000000, 0.140862360000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.500000000000000, 0.140862360000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 51 coordinates: [ 0.250000000000000, 0.359137640000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 52 coordinates: [ 0.750000000000000, 0.359137640000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 53 coordinates: [ 0.250000000000000, 0.640862360000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 54 coordinates: [ 0.750000000000000, 0.640862360000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 55 coordinates: [ 0.000000000000000, 0.859137640000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 56 coordinates: [ 0.500000000000000, 0.859137640000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 51 - symbol: N # 57 coordinates: [ 0.000000000000000, 0.200133690000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.500000000000000, 0.200133690000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 59 coordinates: [ 0.000000000000000, 0.110995780000000, 0.867147450000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 60 coordinates: [ 0.500000000000000, 0.110995780000000, 0.867147450000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 61 coordinates: [ 0.250000000000000, 0.389004220000000, 0.132852550000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.750000000000000, 0.389004220000000, 0.132852550000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 63 coordinates: [ 0.250000000000000, 0.299866310000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 64 coordinates: [ 0.750000000000000, 0.299866310000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 65 coordinates: [ 0.250000000000000, 0.389004220000000, 0.367147450000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.750000000000000, 0.389004220000000, 0.367147450000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 67 coordinates: [ 0.000000000000000, 0.110995780000000, 0.632852550000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.500000000000000, 0.110995780000000, 0.632852550000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 69 coordinates: [ 0.250000000000000, 0.700133690000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 70 coordinates: [ 0.750000000000000, 0.700133690000000, 0.750000000000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 71 coordinates: [ 0.250000000000000, 0.610995780000000, 0.867147450000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 72 coordinates: [ 0.750000000000000, 0.610995780000000, 0.867147450000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 73 coordinates: [ 0.000000000000000, 0.889004220000000, 0.132852550000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 74 coordinates: [ 0.500000000000000, 0.889004220000000, 0.132852550000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 75 coordinates: [ 0.000000000000000, 0.799866310000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 76 coordinates: [ 0.500000000000000, 0.799866310000000, 0.250000000000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 77 coordinates: [ 0.000000000000000, 0.889004220000000, 0.367147450000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 78 coordinates: [ 0.500000000000000, 0.889004220000000, 0.367147450000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 79 coordinates: [ 0.250000000000000, 0.610995780000000, 0.632852550000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 80 coordinates: [ 0.750000000000000, 0.610995780000000, 0.632852550000000 ] mass: 14.006700 reduced_to: 67 - symbol: O # 81 coordinates: [ 0.250000000000000, 0.123418330000000, 0.393464440000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.750000000000000, 0.123418330000000, 0.393464440000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.217132220000000, 0.408586220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.500000000000000, 0.217132220000000, 0.408586220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.011972710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.011972710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.217132220000000, 0.091413780000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.217132220000000, 0.091413780000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.250000000000000, 0.282867780000000, 0.591413780000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.750000000000000, 0.282867780000000, 0.591413780000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.250000000000000, 0.282867780000000, 0.908586220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.750000000000000, 0.282867780000000, 0.908586220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.250000000000000, 0.123418330000000, 0.106535560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.750000000000000, 0.123418330000000, 0.106535560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.000000000000000, 0.376581670000000, 0.893464440000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.500000000000000, 0.376581670000000, 0.893464440000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.250000000000000, 0.488027290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.750000000000000, 0.488027290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.000000000000000, 0.376581670000000, 0.606535560000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.500000000000000, 0.376581670000000, 0.606535560000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.000000000000000, 0.623418330000000, 0.393464440000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 106 coordinates: [ 0.500000000000000, 0.623418330000000, 0.393464440000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 107 coordinates: [ 0.250000000000000, 0.717132220000000, 0.408586220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 108 coordinates: [ 0.750000000000000, 0.717132220000000, 0.408586220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 109 coordinates: [ 0.250000000000000, 0.511972710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 110 coordinates: [ 0.750000000000000, 0.511972710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 111 coordinates: [ 0.250000000000000, 0.717132220000000, 0.091413780000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 112 coordinates: [ 0.750000000000000, 0.717132220000000, 0.091413780000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.782867780000000, 0.591413780000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 114 coordinates: [ 0.500000000000000, 0.782867780000000, 0.591413780000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 115 coordinates: [ 0.000000000000000, 0.782867780000000, 0.908586220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 116 coordinates: [ 0.500000000000000, 0.782867780000000, 0.908586220000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 117 coordinates: [ 0.000000000000000, 0.623418330000000, 0.106535560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 118 coordinates: [ 0.500000000000000, 0.623418330000000, 0.106535560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 119 coordinates: [ 0.250000000000000, 0.876581670000000, 0.893464440000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 120 coordinates: [ 0.750000000000000, 0.876581670000000, 0.893464440000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 121 coordinates: [ 0.000000000000000, 0.988027290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 122 coordinates: [ 0.500000000000000, 0.988027290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 123 coordinates: [ 0.250000000000000, 0.876581670000000, 0.606535560000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 124 coordinates: [ 0.750000000000000, 0.876581670000000, 0.606535560000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 125 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 126 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 127 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 128 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1376749400000000, -0.0011576700000000, 0.0000000000000000 ] - [ 0.0775628000000000, -0.0006886900000000, 0.0000000000000000 ] - [ -0.0076794200000000, -0.0001308700000000, -0.0001291100000000 ] - [ 0.0066379200000000, -0.0001691300000000, -0.0001441100000000 ] - [ -0.0076794200000000, -0.0001308700000000, 0.0001291100000000 ] - [ 0.0066379200000000, -0.0001691300000000, 0.0001441100000000 ] - [ -0.0001303400000000, 0.0000646500000000, -0.0001913700000000 ] - [ 0.0001304300000000, 0.0000655400000000, -0.0001911400000000 ] - [ -0.0004775100000000, 0.0000002200000000, 0.0000000000000000 ] - [ 0.0004753200000000, 0.0000011100000000, 0.0000000000000000 ] - [ 0.0000044200000000, 0.0000050300000000, 0.0000531900000000 ] - [ 0.0000028700000000, 0.0003281700000000, 0.0002303300000000 ] - [ 0.0016987600000000, 0.0010174300000000, 0.0115072300000000 ] - [ 0.0017379200000000, -0.0011645900000000, -0.0110865100000000 ] - [ 0.0000352800000000, -0.0021013700000000, 0.0000000000000000 ] - [ 0.0000280400000000, 0.0020969700000000, 0.0000000000000000 ] - [ 0.0000008200000000, 0.0006440900000000, 0.0000000000000000 ] - [ 0.0000004000000000, 0.0006497500000000, 0.0000000000000000 ] - [ -0.0001303400000000, 0.0000646500000000, 0.0001913700000000 ] - [ 0.0001304300000000, 0.0000655400000000, 0.0001911400000000 ] - [ 0.0016987600000000, 0.0010174300000000, -0.0115072300000000 ] - [ 0.0017379200000000, -0.0011645900000000, 0.0110865100000000 ] - [ 0.0000044200000000, 0.0000050300000000, -0.0000531900000000 ] - [ 0.0000028700000000, 0.0003281700000000, -0.0002303300000000 ] - [ 0.0000002700000000, -0.0006469100000000, 0.0000000000000000 ] - [ 0.0000008400000000, -0.0006385900000000, 0.0000000000000000 ] - [ -0.0000000400000000, -0.0001548200000000, -0.0001308600000000 ] - [ 0.0000007000000000, -0.0001670900000000, -0.0001537200000000 ] - [ -0.0000000400000000, -0.0001548200000000, 0.0001308600000000 ] - [ 0.0000007000000000, -0.0001670900000000, 0.0001537200000000 ] - [ 0.0013869100000000, 0.0111456200000000, 0.0110885400000000 ] - [ 0.0014309400000000, -0.0109718400000000, -0.0113943400000000 ] - [ -0.0000004200000000, 0.0001942100000000, 0.0000000000000000 ] - [ 0.0000010000000000, -0.0001884100000000, 0.0000000000000000 ] - [ -0.0004712600000000, 0.0001645800000000, 0.0001411500000000 ] - [ 0.0004665100000000, 0.0001641000000000, 0.0001410700000000 ] - [ -0.0000140000000000, -0.0000599200000000, 0.0001927600000000 ] - [ 0.0000145600000000, -0.0000598100000000, 0.0001928000000000 ] - [ -0.0001725900000000, 0.0000040700000000, 0.0000000000000000 ] - [ 0.0001650100000000, 0.0000029200000000, 0.0000000000000000 ] - [ -0.0011241200000000, 0.0006290600000000, 0.0000000000000000 ] - [ 0.0015061000000000, 0.0006404000000000, 0.0000000000000000 ] - [ 0.0013869100000000, 0.0111456200000000, -0.0110885400000000 ] - [ 0.0014309400000000, -0.0109718400000000, 0.0113943400000000 ] - [ -0.0000140000000000, -0.0000599200000000, -0.0001927600000000 ] - [ 0.0000145600000000, -0.0000598100000000, -0.0001928000000000 ] - [ -0.0004712600000000, 0.0001645800000000, -0.0001411500000000 ] - [ 0.0004665100000000, 0.0001641000000000, -0.0001410700000000 ] - [ 0.0000189300000000, -0.0007952700000000, 0.0000000000000000 ] - [ -0.0000197300000000, -0.0007953100000000, 0.0000000000000000 ] - [ 0.0059727900000000, -0.0138157800000000, 0.0000000000000000 ] - [ 0.0059162000000000, 0.0152827400000000, 0.0000000000000000 ] - [ 0.0000153100000000, -0.0003927000000000, 0.0000000000000000 ] - [ 0.0000120200000000, -0.0011992700000000, 0.0000000000000000 ] - [ 0.0000037500000000, 0.0007968200000000, 0.0000000000000000 ] - [ -0.0000031900000000, 0.0007970000000000, 0.0000000000000000 ] - [ 0.0000761000000000, 0.0004610200000000, 0.0000000000000000 ] - [ -0.0000775500000000, 0.0004612100000000, 0.0000000000000000 ] - [ 0.0000251600000000, 0.0000511700000000, 0.0000950300000000 ] - [ -0.0000245300000000, 0.0000511900000000, 0.0000949100000000 ] - [ -0.0001521100000000, 0.0059615100000000, 0.0053557500000000 ] - [ -0.0005016500000000, -0.0062852100000000, -0.0057090300000000 ] - [ 0.0004563600000000, 0.0061739500000000, 0.0000000000000000 ] - [ 0.0004664800000000, -0.0070688600000000, 0.0000000000000000 ] - [ -0.0001521100000000, 0.0059615100000000, -0.0053557500000000 ] - [ -0.0005016500000000, -0.0062852100000000, 0.0057090300000000 ] - [ 0.0000251600000000, 0.0000511700000000, -0.0000950300000000 ] - [ -0.0000245300000000, 0.0000511900000000, -0.0000949100000000 ] - [ -0.0000160300000000, -0.0001452800000000, 0.0000000000000000 ] - [ -0.0000146700000000, 0.0010708800000000, 0.0000000000000000 ] - [ 0.0000228700000000, -0.0010057800000000, 0.0017922200000000 ] - [ 0.0000157100000000, 0.0011110000000000, -0.0015909300000000 ] - [ 0.0000010500000000, -0.0000566000000000, -0.0000941000000000 ] - [ -0.0000002300000000, -0.0000565800000000, -0.0000939300000000 ] - [ 0.0000061600000000, -0.0004679300000000, 0.0000000000000000 ] - [ -0.0000049800000000, -0.0004679800000000, 0.0000000000000000 ] - [ 0.0000010500000000, -0.0000566000000000, 0.0000941000000000 ] - [ -0.0000002300000000, -0.0000565800000000, 0.0000939300000000 ] - [ 0.0000228700000000, -0.0010057800000000, -0.0017922200000000 ] - [ 0.0000157100000000, 0.0011110000000000, 0.0015909300000000 ] - [ 0.0000013800000000, 0.0002089200000000, -0.0003164200000000 ] - [ 0.0000023200000000, -0.0003426600000000, 0.0001677800000000 ] - [ 0.0006299700000000, 0.0001129400000000, 0.0000105000000000 ] - [ -0.0006169900000000, 0.0001037600000000, 0.0000083400000000 ] - [ 0.0000091500000000, -0.0001867400000000, 0.0000000000000000 ] - [ -0.0000084300000000, -0.0001867800000000, 0.0000000000000000 ] - [ 0.0006299700000000, 0.0001129400000000, -0.0000105000000000 ] - [ -0.0006169900000000, 0.0001037600000000, -0.0000083400000000 ] - [ 0.0000083200000000, 0.0002365100000000, -0.0001037000000000 ] - [ 0.0000139800000000, -0.0004667400000000, 0.0000867100000000 ] - [ 0.0000083200000000, 0.0002365100000000, 0.0001037000000000 ] - [ 0.0000139800000000, -0.0004667400000000, -0.0000867100000000 ] - [ 0.0000013800000000, 0.0002089200000000, 0.0003164200000000 ] - [ 0.0000023200000000, -0.0003426600000000, -0.0001677800000000 ] - [ 0.0027721200000000, 0.0000641800000000, -0.0000737000000000 ] - [ -0.0030013300000000, 0.0000705100000000, -0.0000777500000000 ] - [ 0.0000396700000000, -0.0017103200000000, 0.0000000000000000 ] - [ 0.0000235800000000, 0.0020819900000000, 0.0000000000000000 ] - [ 0.0027721200000000, 0.0000641800000000, 0.0000737000000000 ] - [ -0.0030013300000000, 0.0000705100000000, 0.0000777500000000 ] - [ 0.0108062400000000, 0.0000425700000000, 0.0000624600000000 ] - [ -0.0054712100000000, 0.0000009200000000, -0.0000243300000000 ] - [ 0.0108062400000000, 0.0000425700000000, -0.0000624600000000 ] - [ -0.0054712100000000, 0.0000009200000000, 0.0000243300000000 ] - [ 0.0034734800000000, -0.0000694800000000, -0.0000750800000000 ] - [ -0.0033402800000000, -0.0000698500000000, -0.0000733000000000 ] - [ 0.0000014900000000, 0.0001331500000000, 0.0000015300000000 ] - [ 0.0000013800000000, 0.0000856200000000, 0.0000198000000000 ] - [ 0.0140590200000000, 0.0106242200000000, 0.0000000000000000 ] - [ 0.0129681500000000, -0.0100141300000000, 0.0000000000000000 ] - [ 0.0000014900000000, 0.0001331500000000, -0.0000015300000000 ] - [ 0.0000013800000000, 0.0000856200000000, -0.0000198000000000 ] - [ 0.0000592400000000, -0.0001145500000000, -0.0000111300000000 ] - [ -0.0000580600000000, -0.0001144800000000, -0.0000109400000000 ] - [ 0.0000592400000000, -0.0001145500000000, 0.0000111300000000 ] - [ -0.0000580600000000, -0.0001144800000000, 0.0000109400000000 ] - [ 0.0034734800000000, -0.0000694800000000, 0.0000750800000000 ] - [ -0.0033402800000000, -0.0000698500000000, 0.0000733000000000 ] - [ 0.0000002700000000, 0.0000366800000000, -0.0000983600000000 ] - [ 0.0000003500000000, 0.0000868800000000, -0.0000492100000000 ] - [ -0.0000002900000000, 0.0001807000000000, 0.0000000000000000 ] - [ 0.0000011300000000, 0.0001806600000000, 0.0000000000000000 ] - [ 0.0000002700000000, 0.0000366800000000, 0.0000983600000000 ] - [ 0.0000003500000000, 0.0000868800000000, 0.0000492100000000 ] - [ 0.0000005700000000, -0.0000027800000000, 0.0000020000000000 ] - [ 0.0000004900000000, -0.0000028700000000, -0.0000019800000000 ] - [ 0.0000005700000000, -0.0000027800000000, -0.0000020000000000 ] - [ 0.0000004900000000, -0.0000028700000000, 0.0000019800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1181976800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0316015000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0104271000000000, 0.0078966500000000 ] - [ 0.0000000000000000, 0.0026445900000000, 0.0027268700000000 ] - [ 0.0000000000000000, 0.0104271000000000, -0.0078966500000000 ] - [ 0.0000000000000000, 0.0026445900000000, -0.0027268700000000 ] - [ 0.0000000000000000, 0.0031208400000000, 0.0002578300000000 ] - [ 0.0000000000000000, 0.0031087700000000, 0.0002571600000000 ] - [ 0.0000000000000000, -0.0000365200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002044800000000, 0.0000000000000000 ] - [ -0.0000274700000000, 0.0023151400000000, 0.0007949800000000 ] - [ 0.0000274700000000, 0.0023151400000000, 0.0007949800000000 ] - [ 0.0005868500000000, -0.0129567100000000, -0.0051900400000000 ] - [ -0.0005868500000000, -0.0129567100000000, -0.0051900400000000 ] - [ -0.0000831400000000, 0.0040450200000000, 0.0000000000000000 ] - [ 0.0000831400000000, 0.0040450200000000, 0.0000000000000000 ] - [ -0.0000031600000000, 0.0031453300000000, 0.0000000000000000 ] - [ 0.0000031600000000, 0.0031453300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031208400000000, -0.0002578300000000 ] - [ 0.0000000000000000, 0.0031087700000000, -0.0002571600000000 ] - [ 0.0005868500000000, -0.0129567100000000, 0.0051900400000000 ] - [ -0.0005868500000000, -0.0129567100000000, 0.0051900400000000 ] - [ -0.0000274700000000, 0.0023151400000000, -0.0007949800000000 ] - [ 0.0000274700000000, 0.0023151400000000, -0.0007949800000000 ] - [ 0.0000042600000000, 0.0019258100000000, 0.0000000000000000 ] - [ -0.0000042600000000, 0.0019258100000000, 0.0000000000000000 ] - [ 0.0000153600000000, 0.0022513700000000, -0.0000331300000000 ] - [ -0.0000153600000000, 0.0022513700000000, -0.0000331300000000 ] - [ 0.0000153600000000, 0.0022513700000000, 0.0000331300000000 ] - [ -0.0000153600000000, 0.0022513700000000, 0.0000331300000000 ] - [ 0.0068543700000000, 0.0087693800000000, 0.0127806900000000 ] - [ -0.0068543700000000, 0.0087693800000000, 0.0127806900000000 ] - [ 0.0000125200000000, 0.0027673800000000, 0.0000000000000000 ] - [ -0.0000125200000000, 0.0027673800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024390700000000, -0.0007020600000000 ] - [ 0.0000000000000000, 0.0021320400000000, -0.0003853100000000 ] - [ 0.0000000000000000, 0.0028931200000000, 0.0007444600000000 ] - [ 0.0000000000000000, 0.0028871500000000, 0.0007403000000000 ] - [ 0.0000000000000000, 0.0047281500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037998500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021194100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0033321700000000, 0.0000000000000000 ] - [ 0.0068543700000000, 0.0087693800000000, -0.0127806900000000 ] - [ -0.0068543700000000, 0.0087693800000000, -0.0127806900000000 ] - [ 0.0000000000000000, 0.0028931200000000, -0.0007444600000000 ] - [ 0.0000000000000000, 0.0028871500000000, -0.0007403000000000 ] - [ 0.0000000000000000, 0.0024390700000000, 0.0007020600000000 ] - [ 0.0000000000000000, 0.0021320400000000, 0.0003853100000000 ] - [ 0.0000000000000000, 0.0002616200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002523700000000, 0.0000000000000000 ] - [ -0.0120135300000000, 0.0146669800000000, 0.0000000000000000 ] - [ 0.0120135300000000, 0.0146669800000000, 0.0000000000000000 ] - [ -0.0000804700000000, -0.0000930200000000, 0.0000000000000000 ] - [ 0.0000804700000000, -0.0000930200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020808300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020628600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010966800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010505200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016147200000000, 0.0003030400000000 ] - [ 0.0000000000000000, -0.0016077400000000, 0.0002982800000000 ] - [ 0.0059394200000000, 0.0076076600000000, -0.0044767000000000 ] - [ -0.0059394200000000, 0.0076076600000000, -0.0044767000000000 ] - [ 0.0007477100000000, -0.0028213800000000, 0.0000000000000000 ] - [ -0.0007477100000000, -0.0028213800000000, 0.0000000000000000 ] - [ 0.0059394200000000, 0.0076076600000000, 0.0044767000000000 ] - [ -0.0059394200000000, 0.0076076600000000, 0.0044767000000000 ] - [ 0.0000000000000000, -0.0016147200000000, -0.0003030400000000 ] - [ 0.0000000000000000, -0.0016077400000000, -0.0002982800000000 ] - [ -0.0000360300000000, -0.0011174100000000, 0.0000000000000000 ] - [ 0.0000360300000000, -0.0011174100000000, 0.0000000000000000 ] - [ -0.0003161700000000, -0.0005877400000000, 0.0021972500000000 ] - [ 0.0003161700000000, -0.0005877400000000, 0.0021972500000000 ] - [ 0.0000000000000000, -0.0018757200000000, 0.0002418100000000 ] - [ 0.0000000000000000, -0.0018606600000000, 0.0002322400000000 ] - [ 0.0000000000000000, -0.0028810900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027754800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018757200000000, -0.0002418100000000 ] - [ 0.0000000000000000, -0.0018606600000000, -0.0002322400000000 ] - [ -0.0003161700000000, -0.0005877400000000, -0.0021972500000000 ] - [ 0.0003161700000000, -0.0005877400000000, -0.0021972500000000 ] - [ 0.0000114400000000, -0.0022904400000000, 0.0003724900000000 ] - [ -0.0000114400000000, -0.0022904400000000, 0.0003724900000000 ] - [ 0.0000000000000000, -0.0019637400000000, 0.0006880400000000 ] - [ 0.0000000000000000, -0.0017612200000000, 0.0006480900000000 ] - [ 0.0000000000000000, -0.0024284100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024267800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019637400000000, -0.0006880400000000 ] - [ 0.0000000000000000, -0.0017612200000000, -0.0006480900000000 ] - [ 0.0000765600000000, -0.0011984400000000, 0.0015302100000000 ] - [ -0.0000765600000000, -0.0011984400000000, 0.0015302100000000 ] - [ 0.0000765600000000, -0.0011984400000000, -0.0015302100000000 ] - [ -0.0000765600000000, -0.0011984400000000, -0.0015302100000000 ] - [ 0.0000114400000000, -0.0022904400000000, -0.0003724900000000 ] - [ -0.0000114400000000, -0.0022904400000000, -0.0003724900000000 ] - [ 0.0000000000000000, 0.0031352200000000, -0.0017897600000000 ] - [ 0.0000000000000000, 0.0031858500000000, -0.0015831700000000 ] - [ -0.0006703200000000, 0.0057504800000000, 0.0000000000000000 ] - [ 0.0006703200000000, 0.0057504800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031352200000000, 0.0017897600000000 ] - [ 0.0000000000000000, 0.0031858500000000, 0.0015831700000000 ] - [ 0.0000000000000000, 0.0092513400000000, -0.0109311800000000 ] - [ 0.0000000000000000, 0.0067364600000000, -0.0031173800000000 ] - [ 0.0000000000000000, 0.0092513400000000, 0.0109311800000000 ] - [ 0.0000000000000000, 0.0067364600000000, 0.0031173800000000 ] - [ 0.0000000000000000, -0.0042435200000000, -0.0014688700000000 ] - [ 0.0000000000000000, -0.0029507800000000, -0.0004896600000000 ] - [ -0.0001412300000000, -0.0017873400000000, -0.0001321800000000 ] - [ 0.0001412300000000, -0.0017873400000000, -0.0001321800000000 ] - [ 0.0091971500000000, 0.0243740800000000, 0.0000000000000000 ] - [ -0.0091971500000000, 0.0243740800000000, 0.0000000000000000 ] - [ -0.0001412300000000, -0.0017873400000000, 0.0001321800000000 ] - [ 0.0001412300000000, -0.0017873400000000, 0.0001321800000000 ] - [ 0.0000000000000000, -0.0017524900000000, 0.0001363100000000 ] - [ 0.0000000000000000, -0.0016837500000000, 0.0001209200000000 ] - [ 0.0000000000000000, -0.0017524900000000, -0.0001363100000000 ] - [ 0.0000000000000000, -0.0016837500000000, -0.0001209200000000 ] - [ 0.0000000000000000, -0.0042435200000000, 0.0014688700000000 ] - [ 0.0000000000000000, -0.0029507800000000, 0.0004896600000000 ] - [ -0.0000044400000000, -0.0019423100000000, -0.0002880000000000 ] - [ 0.0000044400000000, -0.0019423100000000, -0.0002880000000000 ] - [ 0.0000000000000000, -0.0020013600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019990500000000, 0.0000000000000000 ] - [ -0.0000044400000000, -0.0019423100000000, 0.0002880000000000 ] - [ 0.0000044400000000, -0.0019423100000000, 0.0002880000000000 ] - [ -0.0000005200000000, -0.0020844400000000, 0.0000530600000000 ] - [ 0.0000005200000000, -0.0020844400000000, 0.0000530600000000 ] - [ -0.0000005200000000, -0.0020844400000000, -0.0000530600000000 ] - [ 0.0000005200000000, -0.0020844400000000, -0.0000530600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.1169370100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0302762800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0108534600000000, -0.0082801600000000 ] - [ 0.0000000000000000, -0.0029340700000000, -0.0030361000000000 ] - [ 0.0000000000000000, -0.0108534600000000, 0.0082801600000000 ] - [ 0.0000000000000000, -0.0029340700000000, 0.0030361000000000 ] - [ 0.0000000000000000, -0.0029985400000000, -0.0006370600000000 ] - [ 0.0000000000000000, -0.0029846200000000, -0.0006346300000000 ] - [ 0.0000000000000000, 0.0000501200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002233900000000, 0.0000000000000000 ] - [ 0.0000302300000000, -0.0019919000000000, -0.0005149500000000 ] - [ -0.0000302300000000, -0.0019919000000000, -0.0005149500000000 ] - [ -0.0006159400000000, 0.0128591600000000, 0.0055187500000000 ] - [ 0.0006159400000000, 0.0128591600000000, 0.0055187500000000 ] - [ 0.0000871300000000, -0.0040653000000000, 0.0000000000000000 ] - [ -0.0000871300000000, -0.0040653000000000, 0.0000000000000000 ] - [ 0.0000056900000000, -0.0018522700000000, 0.0000000000000000 ] - [ -0.0000056900000000, -0.0018522700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029985400000000, 0.0006370600000000 ] - [ 0.0000000000000000, -0.0029846200000000, 0.0006346300000000 ] - [ -0.0006159400000000, 0.0128591600000000, -0.0055187500000000 ] - [ 0.0006159400000000, 0.0128591600000000, -0.0055187500000000 ] - [ 0.0000302300000000, -0.0019919000000000, 0.0005149500000000 ] - [ -0.0000302300000000, -0.0019919000000000, 0.0005149500000000 ] - [ -0.0000051500000000, -0.0032210800000000, 0.0000000000000000 ] - [ 0.0000051500000000, -0.0032210800000000, 0.0000000000000000 ] - [ -0.0000166000000000, -0.0025729700000000, -0.0002531200000000 ] - [ 0.0000166000000000, -0.0025729700000000, -0.0002531200000000 ] - [ -0.0000166000000000, -0.0025729700000000, 0.0002531200000000 ] - [ 0.0000166000000000, -0.0025729700000000, 0.0002531200000000 ] - [ -0.0067737200000000, -0.0086097400000000, -0.0130760100000000 ] - [ 0.0067737200000000, -0.0086097400000000, -0.0130760100000000 ] - [ -0.0000155000000000, -0.0027663900000000, 0.0000000000000000 ] - [ 0.0000155000000000, -0.0027663900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021183300000000, 0.0009800000000000 ] - [ 0.0000000000000000, -0.0018190000000000, 0.0006681300000000 ] - [ 0.0000000000000000, -0.0030213200000000, -0.0003646100000000 ] - [ 0.0000000000000000, -0.0030134100000000, -0.0003587500000000 ] - [ 0.0000000000000000, -0.0047181900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0038067300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033851900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0046080500000000, 0.0000000000000000 ] - [ -0.0067737200000000, -0.0086097400000000, 0.0130760100000000 ] - [ 0.0067737200000000, -0.0086097400000000, 0.0130760100000000 ] - [ 0.0000000000000000, -0.0030213200000000, 0.0003646100000000 ] - [ 0.0000000000000000, -0.0030134100000000, 0.0003587500000000 ] - [ 0.0000000000000000, -0.0021183300000000, -0.0009800000000000 ] - [ 0.0000000000000000, -0.0018190000000000, -0.0006681300000000 ] - [ 0.0000000000000000, -0.0018559900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018474600000000, 0.0000000000000000 ] - [ 0.0123435900000000, -0.0132716400000000, 0.0000000000000000 ] - [ -0.0123435900000000, -0.0132716400000000, 0.0000000000000000 ] - [ 0.0000820400000000, -0.0015071500000000, 0.0000000000000000 ] - [ -0.0000820400000000, -0.0015071500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004865500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004676900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020226200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019748000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017226200000000, -0.0001174400000000 ] - [ 0.0000000000000000, 0.0017158600000000, -0.0001141100000000 ] - [ -0.0057888600000000, -0.0079515800000000, 0.0042324300000000 ] - [ 0.0057888600000000, -0.0079515800000000, 0.0042324300000000 ] - [ -0.0007818300000000, 0.0019078400000000, 0.0000000000000000 ] - [ 0.0007818300000000, 0.0019078400000000, 0.0000000000000000 ] - [ -0.0057888600000000, -0.0079515800000000, -0.0042324300000000 ] - [ 0.0057888600000000, -0.0079515800000000, -0.0042324300000000 ] - [ 0.0000000000000000, 0.0017226200000000, 0.0001174400000000 ] - [ 0.0000000000000000, 0.0017158600000000, 0.0001141100000000 ] - [ 0.0000341300000000, 0.0020517900000000, 0.0000000000000000 ] - [ -0.0000341300000000, 0.0020517900000000, 0.0000000000000000 ] - [ 0.0003171000000000, 0.0007036800000000, -0.0020081900000000 ] - [ -0.0003171000000000, 0.0007036800000000, -0.0020081900000000 ] - [ 0.0000000000000000, 0.0017644700000000, -0.0004238700000000 ] - [ 0.0000000000000000, 0.0017507300000000, -0.0004156200000000 ] - [ 0.0000000000000000, 0.0019499000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018441600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017644700000000, 0.0004238700000000 ] - [ 0.0000000000000000, 0.0017507300000000, 0.0004156200000000 ] - [ 0.0003171000000000, 0.0007036800000000, 0.0020081900000000 ] - [ -0.0003171000000000, 0.0007036800000000, 0.0020081900000000 ] - [ -0.0000123700000000, 0.0021669600000000, -0.0005271300000000 ] - [ 0.0000123700000000, 0.0021669600000000, -0.0005271300000000 ] - [ 0.0000000000000000, 0.0021924200000000, -0.0006696200000000 ] - [ 0.0000000000000000, 0.0019732500000000, -0.0006354800000000 ] - [ 0.0000000000000000, 0.0020622900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020605400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021924200000000, 0.0006696200000000 ] - [ 0.0000000000000000, 0.0019732500000000, 0.0006354800000000 ] - [ -0.0000837800000000, 0.0009705900000000, -0.0015569800000000 ] - [ 0.0000837800000000, 0.0009705900000000, -0.0015569800000000 ] - [ -0.0000837800000000, 0.0009705900000000, 0.0015569800000000 ] - [ 0.0000837800000000, 0.0009705900000000, 0.0015569800000000 ] - [ -0.0000123700000000, 0.0021669600000000, 0.0005271300000000 ] - [ 0.0000123700000000, 0.0021669600000000, 0.0005271300000000 ] - [ 0.0000000000000000, -0.0030327400000000, 0.0016416700000000 ] - [ 0.0000000000000000, -0.0030821100000000, 0.0014251400000000 ] - [ 0.0006779700000000, -0.0053804200000000, 0.0000000000000000 ] - [ -0.0006779700000000, -0.0053804200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030327400000000, -0.0016416700000000 ] - [ 0.0000000000000000, -0.0030821100000000, -0.0014251400000000 ] - [ 0.0000000000000000, -0.0091383700000000, 0.0110237600000000 ] - [ 0.0000000000000000, -0.0067231900000000, 0.0031207600000000 ] - [ 0.0000000000000000, -0.0091383700000000, -0.0110237600000000 ] - [ 0.0000000000000000, -0.0067231900000000, -0.0031207600000000 ] - [ 0.0000000000000000, 0.0040931200000000, 0.0012943800000000 ] - [ 0.0000000000000000, 0.0028301600000000, 0.0003369200000000 ] - [ 0.0001384900000000, 0.0020077100000000, 0.0001536100000000 ] - [ -0.0001384900000000, 0.0020077100000000, 0.0001536100000000 ] - [ -0.0083131300000000, -0.0241457200000000, 0.0000000000000000 ] - [ 0.0083131300000000, -0.0241457200000000, 0.0000000000000000 ] - [ 0.0001384900000000, 0.0020077100000000, -0.0001536100000000 ] - [ -0.0001384900000000, 0.0020077100000000, -0.0001536100000000 ] - [ 0.0000000000000000, 0.0015297000000000, -0.0001605100000000 ] - [ 0.0000000000000000, 0.0014619700000000, -0.0001451200000000 ] - [ 0.0000000000000000, 0.0015297000000000, 0.0001605100000000 ] - [ 0.0000000000000000, 0.0014619700000000, 0.0001451200000000 ] - [ 0.0000000000000000, 0.0040931200000000, -0.0012943800000000 ] - [ 0.0000000000000000, 0.0028301600000000, -0.0003369200000000 ] - [ 0.0000035800000000, 0.0020663400000000, 0.0001349400000000 ] - [ -0.0000035800000000, 0.0020663400000000, 0.0001349400000000 ] - [ 0.0000000000000000, 0.0023654800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023642500000000, 0.0000000000000000 ] - [ 0.0000035800000000, 0.0020663400000000, -0.0001349400000000 ] - [ -0.0000035800000000, 0.0020663400000000, -0.0001349400000000 ] - [ 0.0000004800000000, 0.0020839900000000, -0.0000534600000000 ] - [ -0.0000004800000000, 0.0020839900000000, -0.0000534600000000 ] - [ 0.0000004800000000, 0.0020839900000000, 0.0000534600000000 ] - [ -0.0000004800000000, 0.0020839900000000, 0.0000534600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0003588300000000, -0.0679926900000000 ] - [ 0.0000000000000000, -0.0006051100000000, -0.0105263200000000 ] - [ 0.0000000000000000, 0.0094047400000000, 0.0008504300000000 ] - [ 0.0000000000000000, 0.0034274800000000, -0.0000905500000000 ] - [ 0.0000000000000000, -0.0097778500000000, 0.0011031400000000 ] - [ 0.0000000000000000, -0.0037344900000000, 0.0001732200000000 ] - [ 0.0000000000000000, -0.0000383400000000, -0.0002030600000000 ] - [ 0.0000000000000000, -0.0000260400000000, -0.0002031400000000 ] - [ 0.0000000000000000, -0.0000142300000000, 0.0031817200000000 ] - [ 0.0000000000000000, -0.0000046400000000, 0.0026464200000000 ] - [ -0.0000242900000000, 0.0006036100000000, 0.0002548000000000 ] - [ 0.0000242900000000, 0.0006036100000000, 0.0002548000000000 ] - [ 0.0097351900000000, -0.0038949500000000, 0.0126524800000000 ] - [ -0.0097351900000000, -0.0038949500000000, 0.0126524800000000 ] - [ 0.0000013600000000, -0.0000029500000000, -0.0004847000000000 ] - [ -0.0000013600000000, -0.0000029500000000, -0.0004847000000000 ] - [ 0.0000000700000000, 0.0006452700000000, 0.0000548300000000 ] - [ -0.0000000700000000, 0.0006452700000000, 0.0000548300000000 ] - [ 0.0000000000000000, 0.0001674100000000, 0.0001782000000000 ] - [ 0.0000000000000000, 0.0001555600000000, 0.0001785900000000 ] - [ -0.0095660900000000, 0.0037081400000000, 0.0121385200000000 ] - [ 0.0095660900000000, 0.0037081400000000, 0.0121385200000000 ] - [ 0.0000256400000000, -0.0002983800000000, -0.0000342800000000 ] - [ -0.0000256400000000, -0.0002983800000000, -0.0000342800000000 ] - [ 0.0000001600000000, -0.0006470800000000, -0.0000292900000000 ] - [ -0.0000001600000000, -0.0006470800000000, -0.0000292900000000 ] - [ 0.0000013400000000, -0.0002978900000000, -0.0001751400000000 ] - [ -0.0000013400000000, -0.0002978900000000, -0.0001751400000000 ] - [ -0.0000007100000000, -0.0000129800000000, 0.0001101900000000 ] - [ 0.0000007100000000, -0.0000129800000000, 0.0001101900000000 ] - [ 0.0068245100000000, 0.0087954800000000, 0.0002440200000000 ] - [ -0.0068245100000000, 0.0087954800000000, 0.0002440200000000 ] - [ 0.0000001400000000, 0.0000029000000000, 0.0001495700000000 ] - [ -0.0000001400000000, 0.0000029000000000, 0.0001495700000000 ] - [ 0.0000000000000000, -0.0006839800000000, 0.0006975000000000 ] - [ 0.0000000000000000, -0.0004880400000000, 0.0005400200000000 ] - [ 0.0000000000000000, -0.0000570900000000, 0.0002012600000000 ] - [ 0.0000000000000000, -0.0000561900000000, 0.0002016300000000 ] - [ 0.0000000000000000, -0.0000085100000000, -0.0013493000000000 ] - [ 0.0000000000000000, -0.0000092400000000, -0.0011621400000000 ] - [ 0.0000000000000000, 0.0006624200000000, 0.0072327200000000 ] - [ 0.0000000000000000, 0.0006551700000000, 0.0018546600000000 ] - [ -0.0067645800000000, -0.0086221300000000, 0.0007009500000000 ] - [ 0.0067645800000000, -0.0086221300000000, 0.0007009500000000 ] - [ 0.0000000000000000, -0.0000772500000000, -0.0001788800000000 ] - [ 0.0000000000000000, -0.0000779400000000, -0.0001791500000000 ] - [ 0.0000000000000000, 0.0009907300000000, 0.0004079700000000 ] - [ 0.0000000000000000, 0.0007931800000000, 0.0002484100000000 ] - [ 0.0000000000000000, -0.0008005600000000, 0.0001086800000000 ] - [ 0.0000000000000000, -0.0007998000000000, 0.0000893800000000 ] - [ -0.0000407400000000, 0.0008486900000000, -0.0140034300000000 ] - [ 0.0000407400000000, 0.0008486900000000, -0.0140034300000000 ] - [ -0.0000002600000000, -0.0007979200000000, 0.0012951800000000 ] - [ 0.0000002600000000, -0.0007979200000000, 0.0012951800000000 ] - [ 0.0000000000000000, 0.0007973200000000, -0.0000365200000000 ] - [ 0.0000000000000000, 0.0007969200000000, -0.0000338100000000 ] - [ 0.0000000000000000, 0.0004677600000000, -0.0002706800000000 ] - [ 0.0000000000000000, 0.0004653600000000, -0.0002800800000000 ] - [ 0.0000000000000000, -0.0000105200000000, -0.0000191100000000 ] - [ 0.0000000000000000, -0.0000030600000000, -0.0000159900000000 ] - [ 0.0012256100000000, -0.0028663100000000, 0.0125036300000000 ] - [ -0.0012256100000000, -0.0028663100000000, 0.0125036300000000 ] - [ -0.0000092800000000, -0.0004628200000000, 0.0056108000000000 ] - [ 0.0000092800000000, -0.0004628200000000, 0.0056108000000000 ] - [ -0.0010470700000000, 0.0026138900000000, 0.0128458600000000 ] - [ 0.0010470700000000, 0.0026138900000000, 0.0128458600000000 ] - [ 0.0000000000000000, 0.0001203100000000, -0.0002038100000000 ] - [ 0.0000000000000000, 0.0001125500000000, -0.0002006600000000 ] - [ 0.0000001700000000, 0.0004625300000000, -0.0007015900000000 ] - [ -0.0000001700000000, 0.0004625300000000, -0.0007015900000000 ] - [ 0.0002479400000000, 0.0008218600000000, -0.0015727100000000 ] - [ -0.0002479400000000, 0.0008218600000000, -0.0015727100000000 ] - [ 0.0000000000000000, -0.0000357300000000, -0.0000553700000000 ] - [ 0.0000000000000000, -0.0000370100000000, -0.0000555500000000 ] - [ 0.0000000000000000, -0.0004642500000000, 0.0000815200000000 ] - [ 0.0000000000000000, -0.0004640800000000, 0.0000852300000000 ] - [ 0.0000000000000000, -0.0000747000000000, 0.0001305300000000 ] - [ 0.0000000000000000, -0.0000735700000000, 0.0001303200000000 ] - [ -0.0002491300000000, -0.0007179400000000, -0.0017499200000000 ] - [ 0.0002491300000000, -0.0007179400000000, -0.0017499200000000 ] - [ -0.0000137500000000, 0.0000465000000000, -0.0000032400000000 ] - [ 0.0000137500000000, 0.0000465000000000, -0.0000032400000000 ] - [ 0.0000000000000000, 0.0009847800000000, 0.0003258200000000 ] - [ 0.0000000000000000, 0.0007578200000000, 0.0002837600000000 ] - [ 0.0000000000000000, -0.0001846900000000, 0.0000500100000000 ] - [ 0.0000000000000000, -0.0001846700000000, 0.0000493500000000 ] - [ 0.0000000000000000, -0.0007625800000000, 0.0003006400000000 ] - [ 0.0000000000000000, -0.0005459300000000, 0.0002622800000000 ] - [ -0.0001515000000000, 0.0008153500000000, -0.0008616100000000 ] - [ 0.0001515000000000, 0.0008153500000000, -0.0008616100000000 ] - [ 0.0001441100000000, -0.0010343200000000, -0.0008515600000000 ] - [ -0.0001441100000000, -0.0010343200000000, -0.0008515600000000 ] - [ 0.0000130000000000, -0.0001766000000000, 0.0001447800000000 ] - [ -0.0000130000000000, -0.0001766000000000, 0.0001447800000000 ] - [ 0.0000000000000000, -0.0029770600000000, -0.0029167500000000 ] - [ 0.0000000000000000, -0.0024469300000000, -0.0015141900000000 ] - [ -0.0000046700000000, 0.0001716000000000, -0.0046732000000000 ] - [ 0.0000046700000000, 0.0001716000000000, -0.0046732000000000 ] - [ 0.0000000000000000, 0.0031427100000000, -0.0027848500000000 ] - [ 0.0000000000000000, 0.0026050500000000, -0.0013568900000000 ] - [ 0.0000000000000000, -0.0092047500000000, -0.0129645900000000 ] - [ 0.0000000000000000, -0.0012813600000000, 0.0000793000000000 ] - [ 0.0000000000000000, 0.0091850300000000, -0.0130931400000000 ] - [ 0.0000000000000000, 0.0012600100000000, 0.0000482800000000 ] - [ 0.0000000000000000, -0.0024339400000000, 0.0005668400000000 ] - [ 0.0000000000000000, -0.0020144400000000, 0.0005611700000000 ] - [ -0.0000127700000000, -0.0002335000000000, 0.0001692200000000 ] - [ 0.0000127700000000, -0.0002335000000000, 0.0001692200000000 ] - [ 0.0000022400000000, -0.0001790900000000, 0.0130860600000000 ] - [ -0.0000022400000000, -0.0001790900000000, 0.0130860600000000 ] - [ 0.0000124900000000, 0.0004570100000000, 0.0001460900000000 ] - [ -0.0000124900000000, 0.0004570100000000, 0.0001460900000000 ] - [ 0.0000000000000000, -0.0002889400000000, -0.0000911300000000 ] - [ 0.0000000000000000, -0.0002909100000000, -0.0000879200000000 ] - [ 0.0000000000000000, 0.0000641600000000, -0.0000701700000000 ] - [ 0.0000000000000000, 0.0000659800000000, -0.0000668300000000 ] - [ 0.0000000000000000, 0.0023079400000000, 0.0007058300000000 ] - [ 0.0000000000000000, 0.0018913100000000, 0.0007018000000000 ] - [ -0.0000003300000000, 0.0000838200000000, -0.0001016600000000 ] - [ 0.0000003300000000, 0.0000838200000000, -0.0001016600000000 ] - [ 0.0000000000000000, 0.0001839100000000, -0.0000249900000000 ] - [ 0.0000000000000000, 0.0001838600000000, -0.0000243500000000 ] - [ 0.0000003200000000, 0.0000431400000000, 0.0000479100000000 ] - [ -0.0000003200000000, 0.0000431400000000, 0.0000479100000000 ] - [ 0.0000000400000000, 0.0000233700000000, -0.0000071500000000 ] - [ -0.0000000400000000, 0.0000233700000000, -0.0000071500000000 ] - [ -0.0000000800000000, -0.0000243900000000, -0.0000074500000000 ] - [ 0.0000000800000000, -0.0000243900000000, -0.0000074500000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0076805000000000, -0.0006813100000000, -0.0000195900000000 ] - [ 0.0066385900000000, -0.0006485800000000, 0.0000119700000000 ] - [ -0.1007720000000000, -0.0003484500000000, -0.0004995600000000 ] - [ 0.0568796700000000, -0.0001466100000000, -0.0001232700000000 ] - [ -0.0071402100000000, -0.0001651100000000, 0.0001091500000000 ] - [ 0.0059678300000000, -0.0001561800000000, 0.0001517100000000 ] - [ -0.0002927200000000, 0.0000750200000000, -0.0001795000000000 ] - [ 0.0002910600000000, 0.0000754200000000, -0.0001802500000000 ] - [ -0.0110654200000000, 0.0000133600000000, 0.0000691500000000 ] - [ 0.0086739900000000, -0.0000116800000000, -0.0000334300000000 ] - [ 0.0015520700000000, -0.0116324700000000, -0.0015169900000000 ] - [ 0.0016128400000000, 0.0118706300000000, 0.0017984700000000 ] - [ 0.0000333200000000, 0.0005393500000000, 0.0015946000000000 ] - [ 0.0000362200000000, -0.0006872100000000, -0.0012242700000000 ] - [ 0.0017663400000000, -0.0096551600000000, 0.0036474900000000 ] - [ 0.0018273700000000, 0.0096172200000000, -0.0036360200000000 ] - [ 0.0000024500000000, 0.0006290200000000, -0.0000234600000000 ] - [ 0.0000037000000000, 0.0006856500000000, 0.0000254500000000 ] - [ -0.0004748300000000, 0.0000831200000000, 0.0001821900000000 ] - [ 0.0004697300000000, 0.0000736200000000, 0.0001807900000000 ] - [ 0.0023979900000000, 0.0097304500000000, -0.0076167300000000 ] - [ 0.0024779600000000, -0.0098385700000000, 0.0072127700000000 ] - [ 0.0000001100000000, -0.0002060200000000, 0.0000061800000000 ] - [ 0.0000010900000000, 0.0005235500000000, -0.0002918100000000 ] - [ 0.0000000000000000, -0.0006720500000000, -0.0000017300000000 ] - [ -0.0000007200000000, -0.0006424800000000, 0.0000002700000000 ] - [ -0.0000001900000000, -0.0001578200000000, -0.0001411200000000 ] - [ -0.0000001200000000, -0.0001584200000000, -0.0001425500000000 ] - [ 0.0000010600000000, -0.0001579300000000, 0.0001424100000000 ] - [ 0.0000001000000000, -0.0001582100000000, 0.0001429800000000 ] - [ -0.0000016500000000, 0.0003101400000000, -0.0000635800000000 ] - [ -0.0000019900000000, -0.0001567200000000, -0.0002967200000000 ] - [ -0.0000009500000000, -0.0000023000000000, 0.0000001000000000 ] - [ -0.0000005300000000, -0.0000131300000000, 0.0000007600000000 ] - [ -0.0000137300000000, 0.0001578500000000, 0.0001424900000000 ] - [ 0.0000130600000000, 0.0001580000000000, 0.0001426100000000 ] - [ -0.0000055400000000, -0.0000765400000000, 0.0001798200000000 ] - [ 0.0000049100000000, -0.0000763500000000, 0.0001794300000000 ] - [ -0.0000040200000000, 0.0000076700000000, -0.0000005600000000 ] - [ 0.0000038300000000, 0.0000075500000000, 0.0000000200000000 ] - [ -0.0004722300000000, 0.0006566700000000, 0.0000014800000000 ] - [ 0.0004659900000000, 0.0006576400000000, 0.0000007500000000 ] - [ -0.0000032800000000, 0.0004487100000000, 0.0000164800000000 ] - [ -0.0000024100000000, -0.0002970900000000, 0.0003432700000000 ] - [ -0.0000025500000000, -0.0000755700000000, -0.0001792400000000 ] - [ 0.0000029700000000, -0.0000758600000000, -0.0001792000000000 ] - [ -0.0000212200000000, 0.0001578600000000, -0.0001417400000000 ] - [ 0.0000213300000000, 0.0001580300000000, -0.0001420900000000 ] - [ 0.0002937700000000, -0.0007970300000000, 0.0000006600000000 ] - [ -0.0002839700000000, -0.0007968400000000, 0.0000011500000000 ] - [ 0.0070289400000000, 0.0082710400000000, 0.0119810700000000 ] - [ 0.0069686500000000, -0.0066074300000000, -0.0118383400000000 ] - [ 0.0000004800000000, -0.0007857500000000, 0.0000158500000000 ] - [ 0.0000005600000000, -0.0008070300000000, -0.0000146000000000 ] - [ 0.0000000900000000, 0.0007968600000000, 0.0000002700000000 ] - [ -0.0000002700000000, 0.0007959300000000, 0.0000004200000000 ] - [ 0.0017140600000000, 0.0004648100000000, -0.0000000800000000 ] - [ -0.0016352900000000, 0.0004671800000000, 0.0000020000000000 ] - [ 0.0008498700000000, 0.0000533000000000, 0.0000950500000000 ] - [ -0.0008423100000000, 0.0000566000000000, 0.0000954600000000 ] - [ 0.0028623000000000, -0.0039889900000000, 0.0001388700000000 ] - [ 0.0025435900000000, 0.0041477800000000, -0.0001751800000000 ] - [ 0.0021301700000000, 0.0007038600000000, -0.0042129300000000 ] - [ 0.0018047200000000, -0.0016289600000000, 0.0045345400000000 ] - [ -0.0000829600000000, -0.0026691200000000, -0.0047139100000000 ] - [ -0.0000767000000000, 0.0025464000000000, 0.0048675100000000 ] - [ -0.0001506000000000, 0.0000535700000000, -0.0000965000000000 ] - [ 0.0001561100000000, 0.0000554500000000, -0.0000941900000000 ] - [ 0.0000000700000000, 0.0004438600000000, -0.0000058900000000 ] - [ -0.0000000300000000, 0.0004834600000000, 0.0000062400000000 ] - [ -0.0000007000000000, 0.0000343700000000, 0.0001073800000000 ] - [ -0.0000003200000000, 0.0000735200000000, 0.0000844000000000 ] - [ 0.0000001600000000, -0.0000541600000000, -0.0000956400000000 ] - [ -0.0000002500000000, -0.0000539200000000, -0.0000960500000000 ] - [ 0.0000001100000000, -0.0004647400000000, 0.0000004200000000 ] - [ 0.0000002400000000, -0.0004647800000000, 0.0000002900000000 ] - [ 0.0000008100000000, -0.0000541500000000, 0.0000961500000000 ] - [ -0.0000009900000000, -0.0000541200000000, 0.0000966400000000 ] - [ 0.0000003300000000, -0.0000080600000000, -0.0001488200000000 ] - [ 0.0000004500000000, 0.0001154600000000, -0.0000429200000000 ] - [ -0.0000400200000000, 0.0004335500000000, -0.0007276500000000 ] - [ -0.0000397200000000, -0.0005624400000000, 0.0005787700000000 ] - [ 0.0018645800000000, 0.0001134300000000, 0.0000145900000000 ] - [ -0.0018627000000000, 0.0001107800000000, 0.0000117400000000 ] - [ 0.0000294200000000, -0.0001836800000000, 0.0000006200000000 ] - [ -0.0000307600000000, -0.0001830800000000, 0.0000006000000000 ] - [ 0.0144645100000000, 0.0000700600000000, 0.0000161200000000 ] - [ -0.0054204500000000, 0.0001532100000000, -0.0000228600000000 ] - [ -0.0000305200000000, -0.0004660600000000, -0.0001142400000000 ] - [ -0.0000308300000000, 0.0002440500000000, 0.0001007100000000 ] - [ -0.0012241500000000, 0.0021092000000000, 0.0066402300000000 ] - [ -0.0015538900000000, -0.0024246500000000, -0.0068820300000000 ] - [ 0.0001138700000000, 0.0008206800000000, 0.0000051200000000 ] - [ 0.0000906000000000, -0.0009542000000000, 0.0001420400000000 ] - [ 0.0124827600000000, 0.0001242400000000, -0.0001022800000000 ] - [ -0.0055111800000000, 0.0000354200000000, -0.0000521100000000 ] - [ -0.0000178600000000, -0.0007745100000000, 0.0005610700000000 ] - [ -0.0000212600000000, 0.0011378700000000, -0.0005611800000000 ] - [ 0.0006936100000000, 0.0000646500000000, 0.0000645000000000 ] - [ -0.0007210600000000, 0.0000665900000000, 0.0000802000000000 ] - [ 0.0005188300000000, -0.0000015500000000, -0.0000008200000000 ] - [ -0.0005229200000000, -0.0000012200000000, 0.0000018400000000 ] - [ 0.0012691800000000, 0.0000000600000000, 0.0000022000000000 ] - [ -0.0011338300000000, 0.0000003600000000, 0.0000003400000000 ] - [ 0.0000683800000000, -0.0000654000000000, -0.0000742300000000 ] - [ -0.0000681400000000, -0.0000655400000000, -0.0000742700000000 ] - [ -0.0000000400000000, 0.0001105900000000, 0.0000113700000000 ] - [ -0.0000000500000000, 0.0001105800000000, 0.0000112800000000 ] - [ 0.0000746000000000, -0.0008013300000000, -0.0005074900000000 ] - [ 0.0000863700000000, 0.0004395300000000, 0.0005075000000000 ] - [ -0.0000002500000000, 0.0001103900000000, -0.0000110000000000 ] - [ 0.0000001700000000, 0.0001112200000000, -0.0000110200000000 ] - [ 0.0000013600000000, -0.0001112700000000, -0.0000107700000000 ] - [ -0.0000016700000000, -0.0001112000000000, -0.0000108300000000 ] - [ 0.0000023600000000, -0.0001112100000000, 0.0000114300000000 ] - [ -0.0000025000000000, -0.0001111100000000, 0.0000113500000000 ] - [ 0.0000340000000000, -0.0000649100000000, 0.0000744600000000 ] - [ -0.0000295300000000, -0.0000653800000000, 0.0000747200000000 ] - [ -0.0000001700000000, 0.0000644100000000, -0.0000752600000000 ] - [ -0.0000002800000000, 0.0000652600000000, -0.0000738500000000 ] - [ -0.0000382600000000, 0.0001830700000000, 0.0000001000000000 ] - [ 0.0000385700000000, 0.0001833400000000, -0.0000000900000000 ] - [ 0.0000000300000000, 0.0000643400000000, 0.0000756700000000 ] - [ -0.0000001600000000, 0.0000654600000000, 0.0000742300000000 ] - [ -0.0000002900000000, 0.0000096300000000, 0.0000017100000000 ] - [ -0.0000006800000000, -0.0000093900000000, -0.0000009400000000 ] - [ 0.0000000900000000, -0.0000051900000000, -0.0000003900000000 ] - [ -0.0000000400000000, 0.0000042600000000, 0.0000001100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0100470700000000, 0.0096598600000000 ] - [ 0.0000000000000000, 0.0021335600000000, 0.0035932300000000 ] - [ 0.0000000000000000, -0.1329104200000000, 0.0043086400000000 ] - [ 0.0000000000000000, -0.0208634300000000, -0.0022371800000000 ] - [ 0.0000000000000000, -0.0089147400000000, -0.0003743800000000 ] - [ 0.0000000000000000, -0.0061431200000000, 0.0005471900000000 ] - [ 0.0000000000000000, 0.0020911100000000, -0.0001838000000000 ] - [ 0.0000000000000000, 0.0019652100000000, -0.0001962700000000 ] - [ 0.0000000000000000, -0.0186836600000000, 0.0019168400000000 ] - [ 0.0000000000000000, -0.0084642200000000, 0.0023717800000000 ] - [ -0.0116547800000000, 0.0101163400000000, 0.0111744300000000 ] - [ 0.0116547800000000, 0.0101163400000000, 0.0111744300000000 ] - [ 0.0006833700000000, -0.0018535500000000, -0.0002178300000000 ] - [ -0.0006833700000000, -0.0018535500000000, -0.0002178300000000 ] - [ -0.0122385700000000, 0.0030853200000000, -0.0146229100000000 ] - [ 0.0122385700000000, 0.0030853200000000, -0.0146229100000000 ] - [ -0.0001603500000000, 0.0028054700000000, 0.0004492900000000 ] - [ 0.0001603500000000, 0.0028054700000000, 0.0004492900000000 ] - [ 0.0000000000000000, 0.0051986700000000, 0.0000796800000000 ] - [ 0.0000000000000000, 0.0033071800000000, -0.0000585500000000 ] - [ 0.0134401400000000, 0.0134415900000000, -0.0084756100000000 ] - [ -0.0134401400000000, 0.0134415900000000, -0.0084756100000000 ] - [ -0.0003615400000000, -0.0018681200000000, 0.0000613200000000 ] - [ 0.0003615400000000, -0.0018681200000000, 0.0000613200000000 ] - [ -0.0000062100000000, 0.0017587200000000, -0.0001411800000000 ] - [ 0.0000062100000000, 0.0017587200000000, -0.0001411800000000 ] - [ -0.0000000200000000, 0.0020617700000000, 0.0000691600000000 ] - [ 0.0000000200000000, 0.0020617700000000, 0.0000691600000000 ] - [ -0.0000003900000000, 0.0019658900000000, -0.0000893600000000 ] - [ 0.0000003900000000, 0.0019658900000000, -0.0000893600000000 ] - [ -0.0000286000000000, 0.0020097000000000, 0.0007391100000000 ] - [ 0.0000286000000000, 0.0020097000000000, 0.0007391100000000 ] - [ -0.0000000500000000, 0.0028179300000000, 0.0000168800000000 ] - [ 0.0000000500000000, 0.0028179300000000, 0.0000168800000000 ] - [ 0.0000000000000000, 0.0024527900000000, 0.0002598400000000 ] - [ 0.0000000000000000, 0.0024457200000000, 0.0002652900000000 ] - [ 0.0000000000000000, 0.0025054500000000, 0.0006914200000000 ] - [ 0.0000000000000000, 0.0024925300000000, 0.0006839100000000 ] - [ 0.0000000000000000, 0.0028517000000000, 0.0002041600000000 ] - [ 0.0000000000000000, 0.0028481000000000, 0.0002013400000000 ] - [ 0.0000000000000000, 0.0029287300000000, -0.0008397200000000 ] - [ 0.0000000000000000, 0.0026238500000000, -0.0006412200000000 ] - [ 0.0001930600000000, 0.0036832700000000, -0.0002250200000000 ] - [ -0.0001930600000000, 0.0036832700000000, -0.0002250200000000 ] - [ 0.0000000000000000, 0.0028156800000000, -0.0005921700000000 ] - [ 0.0000000000000000, 0.0028132700000000, -0.0005777200000000 ] - [ 0.0000000000000000, 0.0021923400000000, -0.0004215200000000 ] - [ 0.0000000000000000, 0.0021933800000000, -0.0004212300000000 ] - [ 0.0000000000000000, -0.0006384800000000, 0.0005674500000000 ] - [ 0.0000000000000000, -0.0006987700000000, 0.0007737300000000 ] - [ 0.0066765100000000, -0.0097137000000000, 0.0144284400000000 ] - [ -0.0066765100000000, -0.0097137000000000, 0.0144284400000000 ] - [ -0.0000032900000000, 0.0003211200000000, -0.0002010900000000 ] - [ 0.0000032900000000, 0.0003211200000000, -0.0002010900000000 ] - [ 0.0000000000000000, 0.0019284900000000, -0.0000327700000000 ] - [ 0.0000000000000000, 0.0019278400000000, -0.0000324000000000 ] - [ 0.0000000000000000, 0.0025268900000000, -0.0033439900000000 ] - [ 0.0000000000000000, 0.0019576600000000, -0.0024966400000000 ] - [ 0.0000000000000000, -0.0018400700000000, -0.0016235900000000 ] - [ 0.0000000000000000, -0.0014674500000000, -0.0011801500000000 ] - [ -0.0066473800000000, 0.0081497700000000, -0.0076711400000000 ] - [ 0.0066473800000000, 0.0081497700000000, -0.0076711400000000 ] - [ 0.0020321900000000, 0.0187692600000000, -0.0009275800000000 ] - [ -0.0020321900000000, 0.0187692600000000, -0.0009275800000000 ] - [ -0.0005670000000000, 0.0058486500000000, -0.0037416100000000 ] - [ 0.0005670000000000, 0.0058486500000000, -0.0037416100000000 ] - [ 0.0000000000000000, -0.0007086100000000, -0.0010021500000000 ] - [ 0.0000000000000000, -0.0004703600000000, -0.0008171200000000 ] - [ 0.0000011900000000, -0.0015163000000000, 0.0001084700000000 ] - [ -0.0000011900000000, -0.0015163000000000, 0.0001084700000000 ] - [ -0.0000116800000000, -0.0016783900000000, 0.0007093300000000 ] - [ 0.0000116800000000, -0.0016783900000000, 0.0007093300000000 ] - [ 0.0000000000000000, -0.0017250300000000, 0.0002268900000000 ] - [ 0.0000000000000000, -0.0017226100000000, 0.0002242400000000 ] - [ 0.0000000000000000, -0.0024637100000000, 0.0000086200000000 ] - [ 0.0000000000000000, -0.0024620600000000, 0.0000084200000000 ] - [ 0.0000000000000000, -0.0016700900000000, -0.0001237700000000 ] - [ 0.0000000000000000, -0.0016688000000000, -0.0001221100000000 ] - [ -0.0000002900000000, -0.0014379900000000, -0.0001409500000000 ] - [ 0.0000002900000000, -0.0014379900000000, -0.0001409500000000 ] - [ 0.0000463200000000, -0.0014230000000000, 0.0012416400000000 ] - [ -0.0000463200000000, -0.0014230000000000, 0.0012416400000000 ] - [ 0.0000000000000000, 0.0035809200000000, 0.0029186500000000 ] - [ 0.0000000000000000, 0.0042677900000000, 0.0024960000000000 ] - [ 0.0000000000000000, -0.0022970000000000, 0.0004472800000000 ] - [ 0.0000000000000000, -0.0022610000000000, 0.0004574300000000 ] - [ 0.0000000000000000, 0.0264050700000000, 0.0016364400000000 ] - [ 0.0000000000000000, 0.0047947500000000, 0.0001246200000000 ] - [ -0.0005830700000000, 0.0031108000000000, -0.0011714800000000 ] - [ 0.0005830700000000, 0.0031108000000000, -0.0011714800000000 ] - [ 0.0018661700000000, 0.0136648900000000, -0.0039739900000000 ] - [ -0.0018661700000000, 0.0136648900000000, -0.0039739900000000 ] - [ 0.0019905900000000, -0.0037415300000000, 0.0002771800000000 ] - [ -0.0019905900000000, -0.0037415300000000, 0.0002771800000000 ] - [ 0.0000000000000000, 0.0132313900000000, 0.0031249800000000 ] - [ 0.0000000000000000, 0.0084484100000000, 0.0028556700000000 ] - [ -0.0003131300000000, -0.0016507700000000, 0.0022952400000000 ] - [ 0.0003131300000000, -0.0016507700000000, 0.0022952400000000 ] - [ 0.0000000000000000, 0.0034300600000000, 0.0013331300000000 ] - [ 0.0000000000000000, 0.0038706100000000, -0.0005094200000000 ] - [ 0.0000000000000000, -0.0001220600000000, -0.0003976100000000 ] - [ 0.0000000000000000, -0.0001711900000000, -0.0005134100000000 ] - [ 0.0000000000000000, -0.0036273500000000, -0.0000703100000000 ] - [ 0.0000000000000000, -0.0032179700000000, -0.0000866100000000 ] - [ 0.0000000000000000, -0.0016322800000000, 0.0000364800000000 ] - [ 0.0000000000000000, -0.0016351500000000, 0.0000365800000000 ] - [ -0.0000004100000000, -0.0013930000000000, 0.0002026300000000 ] - [ 0.0000004100000000, -0.0013930000000000, 0.0002026300000000 ] - [ -0.0001055900000000, -0.0027057900000000, -0.0008853600000000 ] - [ 0.0001055900000000, -0.0027057900000000, -0.0008853600000000 ] - [ -0.0000005600000000, -0.0015209500000000, -0.0002470900000000 ] - [ 0.0000005600000000, -0.0015209500000000, -0.0002470900000000 ] - [ 0.0000000000000000, -0.0016322700000000, 0.0002193200000000 ] - [ 0.0000000000000000, -0.0016320900000000, 0.0002189800000000 ] - [ 0.0000000000000000, -0.0017126900000000, -0.0002022100000000 ] - [ 0.0000000000000000, -0.0017130500000000, -0.0002018000000000 ] - [ 0.0000000000000000, -0.0023485900000000, -0.0002768100000000 ] - [ 0.0000000000000000, -0.0023402800000000, -0.0002760300000000 ] - [ 0.0000033900000000, -0.0018999100000000, -0.0003497600000000 ] - [ -0.0000033900000000, -0.0018999100000000, -0.0003497600000000 ] - [ 0.0000000000000000, -0.0017772900000000, -0.0001230800000000 ] - [ 0.0000000000000000, -0.0017472500000000, -0.0001165600000000 ] - [ 0.0000011400000000, -0.0017522500000000, 0.0003116500000000 ] - [ -0.0000011400000000, -0.0017522500000000, 0.0003116500000000 ] - [ 0.0000160900000000, -0.0016318800000000, 0.0000328700000000 ] - [ -0.0000160900000000, -0.0016318800000000, 0.0000328700000000 ] - [ -0.0000313300000000, -0.0022698900000000, -0.0002385800000000 ] - [ 0.0000313300000000, -0.0022698900000000, -0.0002385800000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0112413700000000, -0.0095250400000000 ] - [ 0.0000000000000000, -0.0034525200000000, -0.0035706700000000 ] - [ 0.0000000000000000, 0.1339172300000000, -0.0045202600000000 ] - [ 0.0000000000000000, 0.0205691100000000, 0.0019416500000000 ] - [ 0.0000000000000000, 0.0086206500000000, 0.0005733800000000 ] - [ 0.0000000000000000, 0.0058518600000000, -0.0003023100000000 ] - [ 0.0000000000000000, -0.0019574000000000, -0.0001842000000000 ] - [ 0.0000000000000000, -0.0018290300000000, -0.0001701000000000 ] - [ 0.0000000000000000, 0.0187205800000000, -0.0017650600000000 ] - [ 0.0000000000000000, 0.0084803200000000, -0.0023399200000000 ] - [ 0.0118490200000000, -0.0098872700000000, -0.0110749200000000 ] - [ -0.0118490200000000, -0.0098872700000000, -0.0110749200000000 ] - [ -0.0006836100000000, 0.0016976600000000, 0.0005867800000000 ] - [ 0.0006836100000000, 0.0016976600000000, 0.0005867800000000 ] - [ 0.0124128600000000, -0.0031072300000000, 0.0148135600000000 ] - [ -0.0124128600000000, -0.0031072300000000, 0.0148135600000000 ] - [ 0.0001643300000000, -0.0015045500000000, -0.0004526000000000 ] - [ -0.0001643300000000, -0.0015045500000000, -0.0004526000000000 ] - [ 0.0000000000000000, -0.0050911400000000, 0.0002912200000000 ] - [ 0.0000000000000000, -0.0031825800000000, 0.0004257600000000 ] - [ -0.0132653200000000, -0.0134390500000000, 0.0079918200000000 ] - [ 0.0132653200000000, -0.0134390500000000, 0.0079918200000000 ] - [ 0.0003685200000000, 0.0022153700000000, -0.0003396600000000 ] - [ -0.0003685200000000, 0.0022153700000000, -0.0003396600000000 ] - [ 0.0000069700000000, -0.0030745100000000, 0.0001423800000000 ] - [ -0.0000069700000000, -0.0030745100000000, 0.0001423800000000 ] - [ 0.0000008500000000, -0.0023829600000000, -0.0003480000000000 ] - [ -0.0000008500000000, -0.0023829600000000, -0.0003480000000000 ] - [ 0.0000014000000000, -0.0022873000000000, 0.0003695100000000 ] - [ -0.0000014000000000, -0.0022873000000000, 0.0003695100000000 ] - [ 0.0000281700000000, -0.0018857500000000, -0.0011142000000000 ] - [ -0.0000281700000000, -0.0018857500000000, -0.0011142000000000 ] - [ -0.0000005700000000, -0.0028312600000000, -0.0000172100000000 ] - [ 0.0000005700000000, -0.0028312600000000, -0.0000172100000000 ] - [ 0.0000000000000000, -0.0021462100000000, 0.0000186700000000 ] - [ 0.0000000000000000, -0.0021406200000000, 0.0000130200000000 ] - [ 0.0000000000000000, -0.0026519400000000, -0.0003214000000000 ] - [ 0.0000000000000000, -0.0026386700000000, -0.0003140400000000 ] - [ 0.0000000000000000, -0.0028596400000000, -0.0002035700000000 ] - [ 0.0000000000000000, -0.0028548200000000, -0.0002003600000000 ] - [ 0.0000000000000000, -0.0016307400000000, 0.0008353600000000 ] - [ 0.0000000000000000, -0.0013280700000000, 0.0006406900000000 ] - [ -0.0001898300000000, -0.0035530700000000, 0.0006024700000000 ] - [ 0.0001898300000000, -0.0035530700000000, 0.0006024700000000 ] - [ 0.0000000000000000, -0.0029649300000000, 0.0002219500000000 ] - [ 0.0000000000000000, -0.0029625600000000, 0.0002072800000000 ] - [ 0.0000000000000000, -0.0018884000000000, 0.0001428100000000 ] - [ 0.0000000000000000, -0.0018891000000000, 0.0001428300000000 ] - [ 0.0000000000000000, -0.0009487900000000, -0.0005701900000000 ] - [ 0.0000000000000000, -0.0008831100000000, -0.0007801100000000 ] - [ -0.0066501800000000, 0.0111899900000000, -0.0143961000000000 ] - [ 0.0066501800000000, 0.0111899900000000, -0.0143961000000000 ] - [ 0.0000032200000000, -0.0019188200000000, 0.0002006800000000 ] - [ -0.0000032200000000, -0.0019188200000000, 0.0002006800000000 ] - [ 0.0000000000000000, -0.0003394100000000, 0.0000322000000000 ] - [ 0.0000000000000000, -0.0003393800000000, 0.0000340800000000 ] - [ 0.0000000000000000, -0.0016237500000000, 0.0033756100000000 ] - [ 0.0000000000000000, -0.0010632400000000, 0.0025170100000000 ] - [ 0.0000000000000000, 0.0019540900000000, 0.0018376800000000 ] - [ 0.0000000000000000, 0.0015714300000000, 0.0013912500000000 ] - [ 0.0069025700000000, -0.0078916500000000, 0.0075472200000000 ] - [ -0.0069025700000000, -0.0078916500000000, 0.0075472200000000 ] - [ -0.0019339300000000, -0.0197538200000000, 0.0010498200000000 ] - [ 0.0019339300000000, -0.0197538200000000, 0.0010498200000000 ] - [ 0.0005488800000000, -0.0059196600000000, 0.0039148700000000 ] - [ -0.0005488800000000, -0.0059196600000000, 0.0039148700000000 ] - [ 0.0000000000000000, 0.0008107700000000, 0.0008146700000000 ] - [ 0.0000000000000000, 0.0005666200000000, 0.0006261000000000 ] - [ -0.0000011700000000, 0.0024550400000000, -0.0001078000000000 ] - [ 0.0000011700000000, 0.0024550400000000, -0.0001078000000000 ] - [ 0.0000110700000000, 0.0017880600000000, -0.0005150000000000 ] - [ -0.0000110700000000, 0.0017880600000000, -0.0005150000000000 ] - [ 0.0000000000000000, 0.0016264900000000, -0.0004232500000000 ] - [ 0.0000000000000000, 0.0016238100000000, -0.0004203300000000 ] - [ 0.0000000000000000, 0.0015367300000000, -0.0000087100000000 ] - [ 0.0000000000000000, 0.0015370000000000, -0.0000082100000000 ] - [ 0.0000000000000000, 0.0015717700000000, 0.0003200500000000 ] - [ 0.0000000000000000, 0.0015689300000000, 0.0003163900000000 ] - [ 0.0000000800000000, 0.0015487200000000, -0.0000503900000000 ] - [ -0.0000000800000000, 0.0015487200000000, -0.0000503900000000 ] - [ -0.0000472700000000, 0.0012937400000000, -0.0013988600000000 ] - [ 0.0000472700000000, 0.0012937400000000, -0.0013988600000000 ] - [ 0.0000000000000000, -0.0033944400000000, -0.0029239400000000 ] - [ 0.0000000000000000, -0.0040870800000000, -0.0024992300000000 ] - [ 0.0000000000000000, 0.0019355200000000, -0.0004513500000000 ] - [ 0.0000000000000000, 0.0018987300000000, -0.0004617900000000 ] - [ 0.0000000000000000, -0.0283060600000000, -0.0014287100000000 ] - [ 0.0000000000000000, -0.0046192800000000, -0.0001391800000000 ] - [ 0.0005785300000000, -0.0033661100000000, 0.0011456700000000 ] - [ -0.0005785300000000, -0.0033661100000000, 0.0011456700000000 ] - [ -0.0017293700000000, -0.0140190500000000, 0.0038764800000000 ] - [ 0.0017293700000000, -0.0140190500000000, 0.0038764800000000 ] - [ -0.0020071000000000, 0.0036393700000000, -0.0001314900000000 ] - [ 0.0020071000000000, 0.0036393700000000, -0.0001314900000000 ] - [ 0.0000000000000000, -0.0126355000000000, -0.0037769300000000 ] - [ 0.0000000000000000, -0.0082807500000000, -0.0029941500000000 ] - [ 0.0003125400000000, 0.0020253100000000, -0.0022844000000000 ] - [ -0.0003125400000000, 0.0020253100000000, -0.0022844000000000 ] - [ 0.0000000000000000, -0.0032900200000000, -0.0011957600000000 ] - [ 0.0000000000000000, -0.0037248100000000, 0.0006567300000000 ] - [ 0.0000000000000000, 0.0001329100000000, 0.0003989100000000 ] - [ 0.0000000000000000, 0.0001826800000000, 0.0005190700000000 ] - [ 0.0000000000000000, 0.0036111400000000, 0.0000713900000000 ] - [ 0.0000000000000000, 0.0032189600000000, 0.0000836600000000 ] - [ 0.0000000000000000, 0.0015094500000000, -0.0001840000000000 ] - [ 0.0000000000000000, 0.0015124000000000, -0.0001836900000000 ] - [ 0.0000004100000000, 0.0016222300000000, -0.0001819600000000 ] - [ -0.0000004100000000, 0.0016222300000000, -0.0001819600000000 ] - [ 0.0000872100000000, 0.0023501100000000, 0.0008781300000000 ] - [ -0.0000872100000000, 0.0023501100000000, 0.0008781300000000 ] - [ 0.0000003700000000, 0.0017499800000000, 0.0002262400000000 ] - [ -0.0000003700000000, 0.0017499800000000, 0.0002262400000000 ] - [ 0.0000000000000000, 0.0014132900000000, -0.0002412200000000 ] - [ 0.0000000000000000, 0.0014131900000000, -0.0002407000000000 ] - [ 0.0000000000000000, 0.0014939300000000, 0.0002249300000000 ] - [ 0.0000000000000000, 0.0014942000000000, 0.0002244100000000 ] - [ 0.0000000000000000, 0.0022220400000000, 0.0004232700000000 ] - [ 0.0000000000000000, 0.0022136100000000, 0.0004224800000000 ] - [ -0.0000035900000000, 0.0020384800000000, 0.0002050200000000 ] - [ 0.0000035900000000, 0.0020384800000000, 0.0002050200000000 ] - [ 0.0000000000000000, 0.0021518900000000, 0.0001245000000000 ] - [ 0.0000000000000000, 0.0021218200000000, 0.0001179400000000 ] - [ -0.0000010300000000, 0.0018891400000000, -0.0001656100000000 ] - [ 0.0000010300000000, 0.0018891400000000, -0.0001656100000000 ] - [ -0.0000165000000000, 0.0016353600000000, -0.0000327700000000 ] - [ 0.0000165000000000, 0.0016353600000000, -0.0000327700000000 ] - [ 0.0000318700000000, 0.0022795600000000, 0.0002410100000000 ] - [ -0.0000318700000000, 0.0022795600000000, 0.0002410100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0074399300000000, 0.0009469900000000 ] - [ 0.0000000000000000, 0.0022211100000000, 0.0000223200000000 ] - [ 0.0000000000000000, 0.0038272700000000, -0.1159650300000000 ] - [ 0.0000000000000000, -0.0022408100000000, -0.0205805900000000 ] - [ 0.0000000000000000, 0.0003347700000000, 0.0211404100000000 ] - [ 0.0000000000000000, -0.0005741400000000, 0.0087954700000000 ] - [ 0.0000000000000000, -0.0004070500000000, 0.0006923300000000 ] - [ 0.0000000000000000, -0.0004114700000000, 0.0005712500000000 ] - [ 0.0000000000000000, 0.0049387100000000, 0.0408431800000000 ] - [ 0.0000000000000000, -0.0018330000000000, 0.0102719700000000 ] - [ -0.0016672600000000, 0.0112676000000000, -0.0037355400000000 ] - [ 0.0016672600000000, 0.0112676000000000, -0.0037355400000000 ] - [ -0.0007615400000000, 0.0001710900000000, 0.0046608100000000 ] - [ 0.0007615400000000, 0.0001710900000000, 0.0046608100000000 ] - [ 0.0043832600000000, -0.0123160400000000, 0.0016866900000000 ] - [ -0.0043832600000000, -0.0123160400000000, 0.0016866900000000 ] - [ -0.0000876300000000, 0.0013056400000000, 0.0001097600000000 ] - [ 0.0000876300000000, 0.0013056400000000, 0.0001097600000000 ] - [ 0.0000000000000000, -0.0002279700000000, -0.0008140900000000 ] - [ 0.0000000000000000, 0.0000639200000000, -0.0007072000000000 ] - [ -0.0099881400000000, -0.0111068500000000, -0.0056708000000000 ] - [ 0.0099881400000000, -0.0111068500000000, -0.0056708000000000 ] - [ -0.0001426500000000, -0.0000580800000000, 0.0037100000000000 ] - [ 0.0001426500000000, -0.0000580800000000, 0.0037100000000000 ] - [ -0.0000113800000000, -0.0005378000000000, -0.0000364800000000 ] - [ 0.0000113800000000, -0.0005378000000000, -0.0000364800000000 ] - [ 0.0000002900000000, 0.0000575400000000, -0.0001465900000000 ] - [ -0.0000002900000000, 0.0000575400000000, -0.0001465900000000 ] - [ -0.0000006700000000, 0.0000801000000000, 0.0001297100000000 ] - [ 0.0000006700000000, 0.0000801000000000, 0.0001297100000000 ] - [ -0.0000097800000000, 0.0011922400000000, 0.0005991500000000 ] - [ 0.0000097800000000, 0.0011922400000000, 0.0005991500000000 ] - [ 0.0000010000000000, 0.0002805100000000, 0.0000210700000000 ] - [ -0.0000010000000000, 0.0002805100000000, 0.0000210700000000 ] - [ 0.0000000000000000, 0.0002717700000000, 0.0001384300000000 ] - [ 0.0000000000000000, 0.0002791900000000, 0.0001359300000000 ] - [ 0.0000000000000000, 0.0002296500000000, 0.0003834000000000 ] - [ 0.0000000000000000, 0.0002161300000000, 0.0003788300000000 ] - [ 0.0000000000000000, 0.0003903300000000, -0.0001411500000000 ] - [ 0.0000000000000000, 0.0003926100000000, -0.0001402000000000 ] - [ 0.0000000000000000, -0.0001869000000000, 0.0005516200000000 ] - [ 0.0000000000000000, 0.0001270100000000, 0.0003920800000000 ] - [ -0.0001289500000000, 0.0002639300000000, -0.0009616000000000 ] - [ 0.0001289500000000, 0.0002639300000000, -0.0009616000000000 ] - [ 0.0000000000000000, 0.0002949000000000, -0.0003611500000000 ] - [ 0.0000000000000000, 0.0002812700000000, -0.0003593200000000 ] - [ 0.0000000000000000, 0.0004359200000000, -0.0000329500000000 ] - [ 0.0000000000000000, 0.0004335700000000, -0.0000328900000000 ] - [ 0.0000000000000000, 0.0012831300000000, -0.0000345300000000 ] - [ 0.0000000000000000, 0.0005540200000000, 0.0002289700000000 ] - [ 0.0113084400000000, 0.0146512700000000, 0.0069670700000000 ] - [ -0.0113084400000000, 0.0146512700000000, 0.0069670700000000 ] - [ 0.0000013000000000, -0.0007346400000000, 0.0001248500000000 ] - [ -0.0000013000000000, -0.0007346400000000, 0.0001248500000000 ] - [ 0.0000000000000000, 0.0009108200000000, -0.0000145800000000 ] - [ 0.0000000000000000, 0.0009089500000000, -0.0000137700000000 ] - [ 0.0000000000000000, -0.0044420300000000, -0.0022855200000000 ] - [ 0.0000000000000000, -0.0023329200000000, -0.0016160400000000 ] - [ 0.0000000000000000, -0.0014206200000000, 0.0008189100000000 ] - [ 0.0000000000000000, -0.0010326000000000, 0.0004593900000000 ] - [ -0.0009657300000000, -0.0050523000000000, 0.0126406400000000 ] - [ 0.0009657300000000, -0.0050523000000000, 0.0126406400000000 ] - [ -0.0056741400000000, -0.0019491100000000, 0.0027199800000000 ] - [ 0.0056741400000000, -0.0019491100000000, 0.0027199800000000 ] - [ -0.0005647900000000, -0.0043044600000000, -0.0022050200000000 ] - [ 0.0005647900000000, -0.0043044600000000, -0.0022050200000000 ] - [ 0.0000000000000000, -0.0012063300000000, -0.0015284500000000 ] - [ 0.0000000000000000, -0.0007147400000000, -0.0012662700000000 ] - [ -0.0000001200000000, 0.0002920500000000, -0.0000755800000000 ] - [ 0.0000001200000000, 0.0002920500000000, -0.0000755800000000 ] - [ 0.0000105600000000, 0.0000787900000000, 0.0001650100000000 ] - [ -0.0000105600000000, 0.0000787900000000, 0.0001650100000000 ] - [ 0.0000000000000000, -0.0002104200000000, -0.0000125300000000 ] - [ 0.0000000000000000, -0.0002084300000000, -0.0000140300000000 ] - [ 0.0000000000000000, -0.0006704700000000, 0.0000115300000000 ] - [ 0.0000000000000000, -0.0006712500000000, 0.0000120100000000 ] - [ 0.0000000000000000, -0.0002048000000000, 0.0000396200000000 ] - [ 0.0000000000000000, -0.0002035900000000, 0.0000408700000000 ] - [ 0.0000009700000000, -0.0000786600000000, -0.0005485600000000 ] - [ -0.0000009700000000, -0.0000786600000000, -0.0005485600000000 ] - [ -0.0000355400000000, 0.0014190600000000, -0.0014184800000000 ] - [ 0.0000355400000000, 0.0014190600000000, -0.0014184800000000 ] - [ 0.0000000000000000, 0.0026703200000000, -0.0031966800000000 ] - [ 0.0000000000000000, 0.0024785900000000, -0.0027410700000000 ] - [ 0.0000000000000000, -0.0002800000000000, 0.0001004800000000 ] - [ 0.0000000000000000, -0.0002332200000000, 0.0001020300000000 ] - [ 0.0000000000000000, 0.0021979800000000, 0.0153906300000000 ] - [ 0.0000000000000000, 0.0007440200000000, 0.0056056600000000 ] - [ 0.0011864100000000, -0.0001491600000000, -0.0068654300000000 ] - [ -0.0011864100000000, -0.0001491600000000, -0.0068654300000000 ] - [ 0.0063717500000000, -0.0038580800000000, 0.0040003000000000 ] - [ -0.0063717500000000, -0.0038580800000000, 0.0040003000000000 ] - [ -0.0002930000000000, 0.0009114500000000, 0.0022295400000000 ] - [ 0.0002930000000000, 0.0009114500000000, 0.0022295400000000 ] - [ 0.0000000000000000, 0.0010124400000000, 0.0157254400000000 ] - [ 0.0000000000000000, 0.0017162900000000, 0.0023486100000000 ] - [ 0.0002672800000000, 0.0009469500000000, -0.0014220700000000 ] - [ -0.0002672800000000, 0.0009469500000000, -0.0014220700000000 ] - [ 0.0000000000000000, 0.0029527800000000, -0.0063098900000000 ] - [ 0.0000000000000000, 0.0015347700000000, -0.0037577000000000 ] - [ 0.0000000000000000, -0.0005210600000000, -0.0010196000000000 ] - [ 0.0000000000000000, -0.0005105300000000, -0.0010055600000000 ] - [ 0.0000000000000000, 0.0016586800000000, 0.0018642500000000 ] - [ 0.0000000000000000, 0.0015844800000000, 0.0019481500000000 ] - [ 0.0000000000000000, -0.0006011200000000, -0.0000687900000000 ] - [ 0.0000000000000000, -0.0006024600000000, -0.0000713400000000 ] - [ 0.0000007100000000, -0.0000959800000000, 0.0000125400000000 ] - [ -0.0000007100000000, -0.0000959800000000, 0.0000125400000000 ] - [ -0.0001384400000000, -0.0024993200000000, 0.0002426100000000 ] - [ 0.0001384400000000, -0.0024993200000000, 0.0002426100000000 ] - [ 0.0000010000000000, -0.0000210000000000, 0.0000174000000000 ] - [ -0.0000010000000000, -0.0000210000000000, 0.0000174000000000 ] - [ 0.0000000000000000, -0.0002800300000000, -0.0000113000000000 ] - [ 0.0000000000000000, -0.0002804800000000, -0.0000113100000000 ] - [ 0.0000000000000000, -0.0002474900000000, -0.0000121900000000 ] - [ 0.0000000000000000, -0.0002475400000000, -0.0000123400000000 ] - [ 0.0000000000000000, -0.0001241000000000, 0.0002266600000000 ] - [ 0.0000000000000000, -0.0001352700000000, 0.0002235200000000 ] - [ 0.0000005900000000, -0.0001469000000000, -0.0000888400000000 ] - [ -0.0000005900000000, -0.0001469000000000, -0.0000888400000000 ] - [ 0.0000000000000000, -0.0003058500000000, -0.0000190800000000 ] - [ 0.0000000000000000, -0.0002842500000000, -0.0000289100000000 ] - [ 0.0000005400000000, -0.0001234600000000, 0.0000690300000000 ] - [ -0.0000005400000000, -0.0001234600000000, 0.0000690300000000 ] - [ 0.0000217700000000, -0.0000094300000000, -0.0002463300000000 ] - [ -0.0000217700000000, -0.0000094300000000, -0.0002463300000000 ] - [ 0.0000238900000000, -0.0001431300000000, 0.0002026900000000 ] - [ -0.0000238900000000, -0.0001431300000000, 0.0002026900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0087343600000000, -0.0010004600000000 ] - [ 0.0000000000000000, -0.0035400200000000, -0.0000560600000000 ] - [ 0.0000000000000000, -0.0049869900000000, 0.1160400700000000 ] - [ 0.0000000000000000, 0.0019313300000000, 0.0203195300000000 ] - [ 0.0000000000000000, -0.0006193100000000, -0.0206500900000000 ] - [ 0.0000000000000000, 0.0002650700000000, -0.0085267300000000 ] - [ 0.0000000000000000, 0.0005529300000000, -0.0010787300000000 ] - [ 0.0000000000000000, 0.0005620100000000, -0.0009536400000000 ] - [ 0.0000000000000000, -0.0050565200000000, -0.0413295500000000 ] - [ 0.0000000000000000, 0.0018308900000000, -0.0102751000000000 ] - [ 0.0016486600000000, -0.0109742900000000, 0.0040941800000000 ] - [ -0.0016486600000000, -0.0109742900000000, 0.0040941800000000 ] - [ 0.0007830500000000, -0.0002919300000000, -0.0042842900000000 ] - [ -0.0007830500000000, -0.0002919300000000, -0.0042842900000000 ] - [ -0.0043749600000000, 0.0122551900000000, -0.0017493400000000 ] - [ 0.0043749600000000, 0.0122551900000000, -0.0017493400000000 ] - [ 0.0000897000000000, -0.0000085400000000, -0.0001054300000000 ] - [ -0.0000897000000000, -0.0000085400000000, -0.0001054300000000 ] - [ 0.0000000000000000, 0.0003998600000000, 0.0011997100000000 ] - [ 0.0000000000000000, 0.0000945800000000, 0.0010875800000000 ] - [ 0.0100458900000000, 0.0109953400000000, 0.0053858000000000 ] - [ -0.0100458900000000, 0.0109953400000000, 0.0053858000000000 ] - [ 0.0001555400000000, 0.0003493800000000, -0.0039958200000000 ] - [ -0.0001555400000000, 0.0003493800000000, -0.0039958200000000 ] - [ 0.0000115600000000, -0.0007561700000000, 0.0000346800000000 ] - [ -0.0000115600000000, -0.0007561700000000, 0.0000346800000000 ] - [ 0.0000007500000000, -0.0003660700000000, -0.0001325200000000 ] - [ -0.0000007500000000, -0.0003660700000000, -0.0001325200000000 ] - [ 0.0000005600000000, -0.0003880900000000, 0.0001506900000000 ] - [ -0.0000005600000000, -0.0003880900000000, 0.0001506900000000 ] - [ 0.0000107400000000, -0.0010406500000000, -0.0009851900000000 ] - [ -0.0000107400000000, -0.0010406500000000, -0.0009851900000000 ] - [ 0.0000003000000000, -0.0002764200000000, -0.0000216600000000 ] - [ -0.0000003000000000, -0.0002764200000000, -0.0000216600000000 ] - [ 0.0000000000000000, 0.0000380100000000, 0.0001420100000000 ] - [ 0.0000000000000000, 0.0000327000000000, 0.0001456300000000 ] - [ 0.0000000000000000, -0.0003810000000000, -0.0000062600000000 ] - [ 0.0000000000000000, -0.0003672000000000, -0.0000009200000000 ] - [ 0.0000000000000000, -0.0003927100000000, 0.0001405300000000 ] - [ 0.0000000000000000, -0.0003967700000000, 0.0001389100000000 ] - [ 0.0000000000000000, 0.0014901600000000, -0.0005485800000000 ] - [ 0.0000000000000000, 0.0011762300000000, -0.0003903900000000 ] - [ 0.0001302800000000, -0.0001185000000000, 0.0013476900000000 ] - [ -0.0001302800000000, -0.0001185000000000, 0.0013476900000000 ] - [ 0.0000000000000000, -0.0004408400000000, -0.0000141900000000 ] - [ 0.0000000000000000, -0.0004280400000000, -0.0000171600000000 ] - [ 0.0000000000000000, -0.0001242900000000, -0.0002472000000000 ] - [ 0.0000000000000000, -0.0001240400000000, -0.0002474400000000 ] - [ 0.0000000000000000, -0.0029019000000000, 0.0000470300000000 ] - [ 0.0000000000000000, -0.0021498100000000, -0.0002251400000000 ] - [ -0.0110686900000000, -0.0128833700000000, -0.0069240400000000 ] - [ 0.0110686900000000, -0.0128833700000000, -0.0069240400000000 ] - [ -0.0000012700000000, -0.0008585600000000, -0.0001241900000000 ] - [ 0.0000012700000000, -0.0008585600000000, -0.0001241900000000 ] - [ 0.0000000000000000, 0.0006857500000000, 0.0000141600000000 ] - [ 0.0000000000000000, 0.0006858800000000, 0.0000137100000000 ] - [ 0.0000000000000000, 0.0054334400000000, 0.0022835900000000 ] - [ 0.0000000000000000, 0.0032640800000000, 0.0015965700000000 ] - [ 0.0000000000000000, 0.0015384200000000, -0.0006549400000000 ] - [ 0.0000000000000000, 0.0011435600000000, -0.0002831600000000 ] - [ 0.0010577300000000, 0.0050585700000000, -0.0127115300000000 ] - [ -0.0010577300000000, 0.0050585700000000, -0.0127115300000000 ] - [ 0.0059323400000000, 0.0010134000000000, -0.0023550900000000 ] - [ -0.0059323400000000, 0.0010134000000000, -0.0023550900000000 ] - [ 0.0005357600000000, 0.0041484500000000, 0.0024054800000000 ] - [ -0.0005357600000000, 0.0041484500000000, 0.0024054800000000 ] - [ 0.0000000000000000, 0.0013358800000000, 0.0013484500000000 ] - [ 0.0000000000000000, 0.0008294700000000, 0.0010803100000000 ] - [ 0.0000003800000000, 0.0006316900000000, 0.0000750500000000 ] - [ -0.0000003800000000, 0.0006316900000000, 0.0000750500000000 ] - [ -0.0000105100000000, 0.0000314300000000, 0.0000167800000000 ] - [ 0.0000105100000000, 0.0000314300000000, 0.0000167800000000 ] - [ 0.0000000000000000, 0.0001020100000000, -0.0001710800000000 ] - [ 0.0000000000000000, 0.0001004400000000, -0.0001696000000000 ] - [ 0.0000000000000000, -0.0002507000000000, -0.0000109900000000 ] - [ 0.0000000000000000, -0.0002504100000000, -0.0000109200000000 ] - [ 0.0000000000000000, 0.0000964700000000, 0.0001447900000000 ] - [ 0.0000000000000000, 0.0000953000000000, 0.0001442800000000 ] - [ -0.0000009500000000, 0.0001885800000000, 0.0003660900000000 ] - [ 0.0000009500000000, 0.0001885800000000, 0.0003660900000000 ] - [ 0.0000325000000000, -0.0015483300000000, 0.0012802200000000 ] - [ -0.0000325000000000, -0.0015483300000000, 0.0012802200000000 ] - [ 0.0000000000000000, -0.0024165700000000, 0.0032153700000000 ] - [ 0.0000000000000000, -0.0022464600000000, 0.0027859100000000 ] - [ 0.0000000000000000, -0.0000886200000000, -0.0000972700000000 ] - [ 0.0000000000000000, -0.0001369500000000, -0.0000988800000000 ] - [ 0.0000000000000000, -0.0020892400000000, -0.0154076200000000 ] - [ 0.0000000000000000, -0.0005154400000000, -0.0056279900000000 ] - [ -0.0012406500000000, -0.0000626200000000, 0.0068687700000000 ] - [ 0.0012406500000000, -0.0000626200000000, 0.0068687700000000 ] - [ -0.0060169300000000, 0.0035564200000000, -0.0042951000000000 ] - [ 0.0060169300000000, 0.0035564200000000, -0.0042951000000000 ] - [ 0.0003087500000000, -0.0010548800000000, -0.0020811600000000 ] - [ -0.0003087500000000, -0.0010548800000000, -0.0020811600000000 ] - [ 0.0000000000000000, -0.0002456900000000, -0.0166173500000000 ] - [ 0.0000000000000000, -0.0015839800000000, -0.0025119800000000 ] - [ -0.0002669800000000, -0.0005835600000000, 0.0014181300000000 ] - [ 0.0002669800000000, -0.0005835600000000, 0.0014181300000000 ] - [ 0.0000000000000000, -0.0028818600000000, 0.0064936800000000 ] - [ 0.0000000000000000, -0.0013927700000000, 0.0039087000000000 ] - [ 0.0000000000000000, 0.0005119600000000, 0.0010269200000000 ] - [ 0.0000000000000000, 0.0005019100000000, 0.0010158500000000 ] - [ 0.0000000000000000, -0.0016626500000000, -0.0018740100000000 ] - [ 0.0000000000000000, -0.0015898500000000, -0.0019620100000000 ] - [ 0.0000000000000000, 0.0004718100000000, -0.0000774700000000 ] - [ 0.0000000000000000, 0.0004734100000000, -0.0000750800000000 ] - [ -0.0000007300000000, 0.0003226000000000, 0.0000096000000000 ] - [ 0.0000007300000000, 0.0003226000000000, 0.0000096000000000 ] - [ 0.0001309800000000, 0.0021497400000000, -0.0002382000000000 ] - [ -0.0001309800000000, 0.0021497400000000, -0.0002382000000000 ] - [ -0.0000007400000000, 0.0002479300000000, -0.0000391400000000 ] - [ 0.0000007400000000, 0.0002479300000000, -0.0000391400000000 ] - [ 0.0000000000000000, 0.0000560200000000, -0.0000101200000000 ] - [ 0.0000000000000000, 0.0000563200000000, -0.0000104700000000 ] - [ 0.0000000000000000, 0.0000234200000000, 0.0000339700000000 ] - [ 0.0000000000000000, 0.0000232300000000, 0.0000342700000000 ] - [ 0.0000000000000000, -0.0000035400000000, -0.0000800000000000 ] - [ 0.0000000000000000, 0.0000073700000000, -0.0000762800000000 ] - [ -0.0000006000000000, 0.0002789700000000, -0.0000585100000000 ] - [ 0.0000006000000000, 0.0002789700000000, -0.0000585100000000 ] - [ 0.0000000000000000, 0.0006793600000000, 0.0000183600000000 ] - [ 0.0000000000000000, 0.0006572900000000, 0.0000283800000000 ] - [ -0.0000006600000000, 0.0002558800000000, 0.0000788000000000 ] - [ 0.0000006600000000, 0.0002558800000000, 0.0000788000000000 ] - [ -0.0000223100000000, 0.0000124700000000, 0.0002473000000000 ] - [ 0.0000223100000000, 0.0000124700000000, 0.0002473000000000 ] - [ -0.0000243700000000, 0.0001419300000000, -0.0002047800000000 ] - [ 0.0000243700000000, 0.0001419300000000, -0.0002047800000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001284900000000, -0.0006490100000000, -0.0000000600000000 ] - [ 0.0001321500000000, -0.0006493800000000, -0.0000005500000000 ] - [ -0.0002907500000000, -0.0001615000000000, -0.0001429200000000 ] - [ 0.0002925800000000, -0.0001600300000000, -0.0001413900000000 ] - [ -0.0004727500000000, -0.0001585000000000, 0.0001417600000000 ] - [ 0.0004714100000000, -0.0001564200000000, 0.0001419200000000 ] - [ -0.1349149800000000, -0.0008185800000000, -0.0000641500000000 ] - [ 0.0791558700000000, 0.0000546700000000, -0.0001834500000000 ] - [ -0.0002702500000000, -0.0000178700000000, 0.0000024900000000 ] - [ 0.0003106000000000, -0.0000021400000000, 0.0000023300000000 ] - [ 0.0000269500000000, 0.0008434600000000, -0.0006374400000000 ] - [ 0.0000468900000000, -0.0005236600000000, 0.0009090400000000 ] - [ 0.0000022000000000, 0.0000325000000000, 0.0002483200000000 ] - [ 0.0000030400000000, -0.0001677300000000, 0.0001181700000000 ] - [ 0.0008951000000000, 0.0114190400000000, -0.0067357300000000 ] - [ 0.0009093200000000, -0.0113415000000000, 0.0066770100000000 ] - [ 0.0016794000000000, 0.0012489400000000, 0.0096693200000000 ] - [ 0.0017597800000000, 0.0000458900000000, -0.0096315100000000 ] - [ -0.0046080800000000, 0.0000419300000000, 0.0002257400000000 ] - [ 0.0035720300000000, 0.0000682000000000, 0.0001658800000000 ] - [ 0.0000003200000000, -0.0000304000000000, -0.0002357800000000 ] - [ 0.0000030100000000, -0.0001062900000000, -0.0001287500000000 ] - [ 0.0024104400000000, 0.0135603900000000, 0.0099177900000000 ] - [ 0.0024686600000000, -0.0131455600000000, -0.0101158800000000 ] - [ 0.0013582700000000, -0.0074750200000000, -0.0068074100000000 ] - [ 0.0014621200000000, 0.0061520700000000, 0.0067819200000000 ] - [ -0.0000012500000000, -0.0001315900000000, -0.0001295900000000 ] - [ 0.0000013800000000, -0.0001892500000000, -0.0001498900000000 ] - [ -0.0000010600000000, -0.0003500200000000, 0.0000111300000000 ] - [ -0.0000001300000000, 0.0000314600000000, 0.0002714500000000 ] - [ 0.0000010900000000, 0.0000828300000000, -0.0001788800000000 ] - [ 0.0000020900000000, 0.0000691300000000, -0.0001828000000000 ] - [ 0.0000034600000000, -0.0000932800000000, 0.0000432200000000 ] - [ 0.0000034400000000, 0.0000850500000000, -0.0000443200000000 ] - [ -0.0000034700000000, 0.0001670100000000, 0.0001414900000000 ] - [ 0.0000068200000000, 0.0001657900000000, 0.0001417800000000 ] - [ -0.0118942200000000, -0.0000004100000000, 0.0001497200000000 ] - [ 0.0107589200000000, -0.0000912700000000, 0.0001910100000000 ] - [ 0.0000087100000000, 0.0000133300000000, 0.0000003500000000 ] - [ -0.0000059400000000, 0.0000122300000000, 0.0000000700000000 ] - [ -0.0000125200000000, 0.0006566200000000, 0.0000006100000000 ] - [ 0.0000159300000000, 0.0006570100000000, 0.0000008500000000 ] - [ 0.0000018000000000, 0.0000825700000000, 0.0001794800000000 ] - [ 0.0000019500000000, 0.0000703800000000, 0.0001834200000000 ] - [ -0.0001443300000000, -0.0000696500000000, -0.0001796900000000 ] - [ 0.0001334500000000, -0.0000743300000000, -0.0001828800000000 ] - [ -0.0000008200000000, 0.0001659700000000, -0.0001407100000000 ] - [ 0.0000046100000000, 0.0001667000000000, -0.0001409400000000 ] - [ 0.0002218700000000, -0.0008141600000000, -0.0000477400000000 ] - [ -0.0010361000000000, -0.0007804100000000, 0.0000282100000000 ] - [ 0.0000079400000000, 0.0010736900000000, -0.0000739800000000 ] - [ 0.0000074100000000, 0.0005181000000000, 0.0000731300000000 ] - [ 0.0000019700000000, -0.0007950700000000, 0.0000023900000000 ] - [ 0.0000019700000000, -0.0007879500000000, -0.0000015500000000 ] - [ 0.0002257600000000, 0.0007959000000000, 0.0000008600000000 ] - [ -0.0002317900000000, 0.0007950900000000, 0.0000019100000000 ] - [ 0.0012402100000000, 0.0005175600000000, 0.0000108900000000 ] - [ -0.0010418800000000, 0.0004700600000000, -0.0000086700000000 ] - [ 0.0007724700000000, 0.0000452200000000, 0.0001339900000000 ] - [ -0.0004491600000000, 0.0000487400000000, 0.0001023600000000 ] - [ 0.0000014100000000, -0.0002198500000000, 0.0000461500000000 ] - [ 0.0000015400000000, 0.0001318800000000, -0.0002749100000000 ] - [ 0.0000002600000000, -0.0021393100000000, -0.0000939900000000 ] - [ -0.0000007100000000, 0.0011607900000000, 0.0000979900000000 ] - [ -0.0000038300000000, -0.0003112700000000, -0.0000181200000000 ] - [ -0.0000042700000000, 0.0002223200000000, 0.0002502200000000 ] - [ 0.0105545600000000, 0.0000414700000000, -0.0001351500000000 ] - [ -0.0052544200000000, 0.0000195600000000, -0.0001816300000000 ] - [ 0.0000017600000000, 0.0005009900000000, 0.0000014300000000 ] - [ 0.0000016200000000, 0.0004616600000000, -0.0000009100000000 ] - [ 0.0000018100000000, 0.0000410500000000, 0.0001154400000000 ] - [ 0.0000019100000000, 0.0000381000000000, 0.0001184400000000 ] - [ 0.0005512300000000, -0.0000442200000000, -0.0001180300000000 ] - [ -0.0004740200000000, -0.0000406300000000, -0.0001195200000000 ] - [ -0.0001150500000000, -0.0004884700000000, -0.0000006300000000 ] - [ 0.0001282300000000, -0.0004863200000000, -0.0000000500000000 ] - [ 0.0010364600000000, -0.0000462200000000, 0.0001170500000000 ] - [ -0.0011059600000000, -0.0000422400000000, 0.0001171200000000 ] - [ 0.0000017400000000, 0.0000421400000000, -0.0001145600000000 ] - [ 0.0000016600000000, 0.0000372700000000, -0.0001176300000000 ] - [ 0.0190823900000000, 0.0159596000000000, -0.0060799800000000 ] - [ 0.0178944300000000, -0.0149526600000000, 0.0055839400000000 ] - [ 0.0053959700000000, 0.0001017700000000, 0.0000057600000000 ] - [ -0.0047274000000000, 0.0000989500000000, 0.0000074500000000 ] - [ 0.0082630200000000, -0.0001866500000000, -0.0000090500000000 ] - [ -0.0056265300000000, -0.0001365500000000, 0.0000418000000000 ] - [ 0.0021967600000000, 0.0001137400000000, -0.0000037500000000 ] - [ -0.0022881800000000, 0.0001134400000000, -0.0000029300000000 ] - [ -0.0000479000000000, -0.0013556500000000, 0.0001454600000000 ] - [ -0.0000517600000000, 0.0011222700000000, -0.0001662600000000 ] - [ 0.0000052300000000, -0.0002518500000000, -0.0000370800000000 ] - [ 0.0000004100000000, 0.0000265400000000, 0.0000570900000000 ] - [ -0.0003393400000000, 0.0003345800000000, 0.0043458500000000 ] - [ -0.0003652200000000, -0.0004621800000000, -0.0041703100000000 ] - [ 0.0000432000000000, 0.0000712400000000, -0.0000709600000000 ] - [ -0.0000397300000000, 0.0000706500000000, -0.0000729700000000 ] - [ 0.0000018600000000, 0.0001531300000000, -0.0000029600000000 ] - [ 0.0000017500000000, 0.0002072300000000, 0.0000030700000000 ] - [ 0.0001721000000000, 0.0000716000000000, 0.0000708400000000 ] - [ -0.0001698100000000, 0.0000686300000000, 0.0000722100000000 ] - [ 0.0000249700000000, -0.0000027200000000, 0.0000003600000000 ] - [ -0.0000218000000000, -0.0000025500000000, 0.0000002200000000 ] - [ 0.0000219800000000, -0.0000021800000000, 0.0000004800000000 ] - [ -0.0000186000000000, -0.0000021900000000, 0.0000004200000000 ] - [ 0.0000004000000000, -0.0000747500000000, -0.0000720100000000 ] - [ 0.0000030900000000, -0.0000746600000000, -0.0000720400000000 ] - [ 0.0000012100000000, 0.0000922000000000, -0.0000027600000000 ] - [ 0.0000010700000000, 0.0001308800000000, 0.0000214600000000 ] - [ 0.0000016300000000, -0.0001973700000000, 0.0000032100000000 ] - [ 0.0000018500000000, -0.0001738300000000, -0.0000026100000000 ] - [ 0.0000037100000000, 0.0001054600000000, 0.0000067400000000 ] - [ 0.0000037400000000, 0.0001184400000000, -0.0000251300000000 ] - [ 0.0000200500000000, -0.0001160500000000, -0.0000084100000000 ] - [ -0.0000088500000000, -0.0001155300000000, -0.0000083000000000 ] - [ 0.0000172500000000, -0.0001150200000000, 0.0000095100000000 ] - [ -0.0000164800000000, -0.0001150800000000, 0.0000095100000000 ] - [ 0.0000019700000000, -0.0000745400000000, 0.0000721900000000 ] - [ 0.0000014900000000, -0.0000748000000000, 0.0000721800000000 ] - [ 0.0000008800000000, 0.0000748800000000, -0.0001309300000000 ] - [ -0.0000002200000000, 0.0000683800000000, -0.0000128500000000 ] - [ 0.0022095000000000, 0.0001833700000000, 0.0000072100000000 ] - [ -0.0021213500000000, 0.0001883000000000, -0.0000022700000000 ] - [ 0.0000001500000000, 0.0000557100000000, 0.0000286200000000 ] - [ 0.0000046600000000, 0.0000761200000000, 0.0001199500000000 ] - [ 0.0004087200000000, 0.0051986200000000, -0.0018710000000000 ] - [ -0.0000972300000000, -0.0056202900000000, 0.0020699400000000 ] - [ -0.0000141900000000, 0.0000255200000000, 0.0000964300000000 ] - [ -0.0000322100000000, -0.0000194100000000, -0.0000993500000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0024080800000000, -0.0001037600000000 ] - [ 0.0000000000000000, 0.0023956300000000, -0.0000924600000000 ] - [ 0.0000000000000000, 0.0018602200000000, -0.0006296800000000 ] - [ 0.0000000000000000, 0.0017326600000000, -0.0006360400000000 ] - [ 0.0000000000000000, 0.0050006300000000, 0.0004635900000000 ] - [ 0.0000000000000000, 0.0030794600000000, 0.0001603800000000 ] - [ 0.0000000000000000, -0.1238938700000000, -0.0243981100000000 ] - [ 0.0000000000000000, -0.0318322900000000, 0.0019812700000000 ] - [ 0.0000000000000000, 0.0029307000000000, 0.0009902600000000 ] - [ 0.0000000000000000, 0.0017540900000000, 0.0009053600000000 ] - [ 0.0006092000000000, -0.0016244700000000, 0.0003746100000000 ] - [ -0.0006092000000000, -0.0016244700000000, 0.0003746100000000 ] - [ 0.0000997500000000, 0.0035233000000000, 0.0009877400000000 ] - [ -0.0000997500000000, 0.0035233000000000, 0.0009877400000000 ] - [ 0.0041903400000000, 0.0077072200000000, -0.0092446100000000 ] - [ -0.0041903400000000, 0.0077072200000000, -0.0092446100000000 ] - [ 0.0010721400000000, -0.0122197900000000, -0.0038273900000000 ] - [ -0.0010721400000000, -0.0122197900000000, -0.0038273900000000 ] - [ 0.0000000000000000, -0.0151360900000000, 0.0073933100000000 ] - [ 0.0000000000000000, -0.0093891200000000, 0.0016998100000000 ] - [ 0.0000382500000000, 0.0031487100000000, -0.0009116600000000 ] - [ -0.0000382500000000, 0.0031487100000000, -0.0009116600000000 ] - [ 0.0098399900000000, 0.0136405000000000, 0.0109633000000000 ] - [ -0.0098399900000000, 0.0136405000000000, 0.0109633000000000 ] - [ -0.0110119700000000, 0.0080305800000000, 0.0086575800000000 ] - [ 0.0110119700000000, 0.0080305800000000, 0.0086575800000000 ] - [ -0.0002317400000000, 0.0017914400000000, 0.0009671800000000 ] - [ 0.0002317400000000, 0.0017914400000000, 0.0009671800000000 ] - [ -0.0003689600000000, 0.0034539100000000, -0.0000451500000000 ] - [ 0.0003689600000000, 0.0034539100000000, -0.0000451500000000 ] - [ -0.0000070900000000, 0.0036348500000000, 0.0004396600000000 ] - [ 0.0000070900000000, 0.0036348500000000, 0.0004396600000000 ] - [ 0.0000006000000000, 0.0030963200000000, -0.0012755900000000 ] - [ -0.0000006000000000, 0.0030963200000000, -0.0012755900000000 ] - [ 0.0000000000000000, 0.0027379500000000, 0.0004496900000000 ] - [ 0.0000000000000000, 0.0027241400000000, 0.0004369400000000 ] - [ 0.0000000000000000, 0.0225833700000000, -0.0129779300000000 ] - [ 0.0000000000000000, 0.0044822300000000, -0.0041137400000000 ] - [ 0.0000000000000000, 0.0038238400000000, 0.0001415000000000 ] - [ 0.0000000000000000, 0.0035991900000000, 0.0001478100000000 ] - [ 0.0000000000000000, 0.0036088400000000, 0.0000103900000000 ] - [ 0.0000000000000000, 0.0036030300000000, 0.0000107600000000 ] - [ -0.0000051100000000, 0.0035186700000000, -0.0004488000000000 ] - [ 0.0000051100000000, 0.0035186700000000, -0.0004488000000000 ] - [ 0.0000000000000000, -0.0023169700000000, 0.0012810000000000 ] - [ 0.0000000000000000, -0.0027987300000000, 0.0008638800000000 ] - [ 0.0000000000000000, 0.0030485200000000, -0.0005123500000000 ] - [ 0.0000000000000000, 0.0030460000000000, -0.0005002400000000 ] - [ 0.0000000000000000, 0.0004296200000000, 0.0089294500000000 ] - [ 0.0000000000000000, -0.0024477700000000, 0.0016203200000000 ] - [ -0.0000327500000000, 0.0024281000000000, -0.0001852400000000 ] - [ 0.0000327500000000, 0.0024281000000000, -0.0001852400000000 ] - [ 0.0000007000000000, 0.0006120800000000, -0.0000277400000000 ] - [ -0.0000007000000000, 0.0006120800000000, -0.0000277400000000 ] - [ 0.0000000000000000, 0.0024770400000000, 0.0018845600000000 ] - [ 0.0000000000000000, 0.0022815300000000, 0.0012799300000000 ] - [ 0.0000000000000000, -0.0019962100000000, -0.0039713600000000 ] - [ 0.0000000000000000, 0.0018967900000000, -0.0021077000000000 ] - [ 0.0000000000000000, 0.0054848900000000, -0.0060305900000000 ] - [ 0.0000000000000000, 0.0041262200000000, -0.0015210500000000 ] - [ 0.0000243900000000, -0.0021309900000000, 0.0006230300000000 ] - [ -0.0000243900000000, -0.0021309900000000, 0.0006230300000000 ] - [ -0.0002824400000000, -0.0035180200000000, 0.0006349900000000 ] - [ 0.0002824400000000, -0.0035180200000000, 0.0006349900000000 ] - [ -0.0001934600000000, -0.0024129000000000, -0.0001448600000000 ] - [ 0.0001934600000000, -0.0024129000000000, -0.0001448600000000 ] - [ 0.0000000000000000, 0.0185312400000000, 0.0080347500000000 ] - [ 0.0000000000000000, 0.0050216000000000, -0.0020862200000000 ] - [ 0.0000006600000000, -0.0019830800000000, 0.0000806200000000 ] - [ -0.0000006600000000, -0.0019830800000000, 0.0000806200000000 ] - [ 0.0000011100000000, -0.0019741700000000, 0.0004643300000000 ] - [ -0.0000011100000000, -0.0019741700000000, 0.0004643300000000 ] - [ 0.0000000000000000, -0.0018013300000000, -0.0026215800000000 ] - [ 0.0000000000000000, -0.0011845000000000, -0.0023532200000000 ] - [ 0.0000000000000000, -0.0035978600000000, -0.0010351700000000 ] - [ 0.0000000000000000, -0.0028576100000000, -0.0007647200000000 ] - [ 0.0000000000000000, -0.0045326100000000, -0.0020105000000000 ] - [ 0.0000000000000000, -0.0029037000000000, -0.0011284000000000 ] - [ 0.0000002400000000, -0.0020284700000000, -0.0004195800000000 ] - [ -0.0000002400000000, -0.0020284700000000, -0.0004195800000000 ] - [ 0.0166479000000000, 0.0256587600000000, -0.0047781200000000 ] - [ -0.0166479000000000, 0.0256587600000000, -0.0047781200000000 ] - [ 0.0000000000000000, -0.0097538900000000, 0.0004578800000000 ] - [ 0.0000000000000000, -0.0030353000000000, 0.0000227600000000 ] - [ 0.0000000000000000, 0.0109419600000000, 0.0028562900000000 ] - [ 0.0000000000000000, 0.0078203700000000, -0.0011266700000000 ] - [ 0.0000000000000000, -0.0004627600000000, 0.0019817000000000 ] - [ 0.0000000000000000, -0.0003487300000000, 0.0019272700000000 ] - [ -0.0005058500000000, -0.0024104500000000, -0.0008208800000000 ] - [ 0.0005058500000000, -0.0024104500000000, -0.0008208800000000 ] - [ -0.0002131300000000, -0.0005641100000000, -0.0003085600000000 ] - [ 0.0002131300000000, -0.0005641100000000, -0.0003085600000000 ] - [ 0.0001683400000000, 0.0057705800000000, 0.0038235100000000 ] - [ -0.0001683400000000, 0.0057705800000000, 0.0038235100000000 ] - [ 0.0000000000000000, -0.0019875100000000, -0.0003901000000000 ] - [ 0.0000000000000000, -0.0018736700000000, -0.0002439700000000 ] - [ -0.0000058600000000, -0.0023819800000000, -0.0000812800000000 ] - [ 0.0000058600000000, -0.0023819800000000, -0.0000812800000000 ] - [ 0.0000000000000000, -0.0025008000000000, -0.0001854000000000 ] - [ 0.0000000000000000, -0.0021291600000000, -0.0000522400000000 ] - [ 0.0000000000000000, -0.0024712800000000, 0.0000294800000000 ] - [ 0.0000000000000000, -0.0024764900000000, 0.0000282600000000 ] - [ 0.0000000000000000, -0.0023405400000000, 0.0000076700000000 ] - [ 0.0000000000000000, -0.0023386500000000, 0.0000095000000000 ] - [ 0.0000000000000000, -0.0025542800000000, 0.0002630200000000 ] - [ 0.0000000000000000, -0.0025239900000000, 0.0002318800000000 ] - [ 0.0000304600000000, -0.0021176500000000, 0.0002465500000000 ] - [ -0.0000304600000000, -0.0021176500000000, 0.0002465500000000 ] - [ 0.0000105000000000, -0.0028196700000000, 0.0000089300000000 ] - [ -0.0000105000000000, -0.0028196700000000, 0.0000089300000000 ] - [ 0.0000399100000000, -0.0017200900000000, -0.0004164000000000 ] - [ -0.0000399100000000, -0.0017200900000000, -0.0004164000000000 ] - [ 0.0000000000000000, -0.0023356600000000, 0.0006168900000000 ] - [ 0.0000000000000000, -0.0023707900000000, 0.0006036100000000 ] - [ 0.0000000000000000, -0.0016492500000000, -0.0002593700000000 ] - [ 0.0000000000000000, -0.0016382000000000, -0.0002449600000000 ] - [ 0.0000000000000000, -0.0024666200000000, -0.0003041700000000 ] - [ 0.0000000000000000, -0.0024405700000000, -0.0002788200000000 ] - [ 0.0001163000000000, 0.0003111900000000, -0.0000641600000000 ] - [ -0.0001163000000000, 0.0003111900000000, -0.0000641600000000 ] - [ 0.0000000000000000, 0.0064102100000000, 0.0045726900000000 ] - [ 0.0000000000000000, 0.0060993600000000, 0.0034140100000000 ] - [ 0.0010971500000000, -0.0039366600000000, 0.0016016300000000 ] - [ -0.0010971500000000, -0.0039366600000000, 0.0016016300000000 ] - [ 0.0054474700000000, 0.0088006900000000, 0.0033050300000000 ] - [ -0.0054474700000000, 0.0088006900000000, 0.0033050300000000 ] - [ 0.0009607600000000, 0.0039393100000000, -0.0016923600000000 ] - [ -0.0009607600000000, 0.0039393100000000, -0.0016923600000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0037118900000000, 0.0001025300000000 ] - [ 0.0000000000000000, -0.0037001500000000, 0.0000913900000000 ] - [ 0.0000000000000000, -0.0021831000000000, 0.0003424100000000 ] - [ 0.0000000000000000, -0.0020559400000000, 0.0003506400000000 ] - [ 0.0000000000000000, -0.0052823200000000, -0.0001734900000000 ] - [ 0.0000000000000000, -0.0034022800000000, 0.0001207000000000 ] - [ 0.0000000000000000, 0.1234354200000000, 0.0241357100000000 ] - [ 0.0000000000000000, 0.0320010800000000, -0.0023730000000000 ] - [ 0.0000000000000000, -0.0029475900000000, -0.0009833200000000 ] - [ 0.0000000000000000, -0.0017607400000000, -0.0008999300000000 ] - [ -0.0006183300000000, 0.0019211900000000, -0.0000960000000000 ] - [ 0.0006183300000000, 0.0019211900000000, -0.0000960000000000 ] - [ -0.0001003200000000, -0.0036649500000000, -0.0006046200000000 ] - [ 0.0001003200000000, -0.0036649500000000, -0.0006046200000000 ] - [ -0.0041323300000000, -0.0077281400000000, 0.0091991700000000 ] - [ 0.0041323300000000, -0.0077281400000000, 0.0091991700000000 ] - [ -0.0011098700000000, 0.0135863500000000, 0.0037770200000000 ] - [ 0.0011098700000000, 0.0135863500000000, 0.0037770200000000 ] - [ 0.0000000000000000, 0.0153010900000000, -0.0069553900000000 ] - [ 0.0000000000000000, 0.0095488200000000, -0.0013025400000000 ] - [ -0.0000388700000000, -0.0032920000000000, 0.0005297800000000 ] - [ 0.0000388700000000, -0.0032920000000000, 0.0005297800000000 ] - [ -0.0097293300000000, -0.0132481000000000, -0.0111263500000000 ] - [ 0.0097293300000000, -0.0132481000000000, -0.0111263500000000 ] - [ 0.0111065900000000, -0.0093539600000000, -0.0087593500000000 ] - [ -0.0111065900000000, -0.0093539600000000, -0.0087593500000000 ] - [ 0.0002363700000000, -0.0020996200000000, -0.0012524600000000 ] - [ -0.0002363700000000, -0.0020996200000000, -0.0012524600000000 ] - [ 0.0003779500000000, -0.0037756400000000, 0.0003271100000000 ] - [ -0.0003779500000000, -0.0037756400000000, 0.0003271100000000 ] - [ 0.0000062900000000, -0.0035005500000000, -0.0008243100000000 ] - [ -0.0000062900000000, -0.0035005500000000, -0.0008243100000000 ] - [ -0.0000010500000000, -0.0030921600000000, 0.0012831100000000 ] - [ 0.0000010500000000, -0.0030921600000000, 0.0012831100000000 ] - [ 0.0000000000000000, -0.0024282700000000, -0.0001692100000000 ] - [ 0.0000000000000000, -0.0024143300000000, -0.0001558400000000 ] - [ 0.0000000000000000, -0.0229294800000000, 0.0135195200000000 ] - [ 0.0000000000000000, -0.0045881600000000, 0.0045219900000000 ] - [ 0.0000000000000000, -0.0038389400000000, -0.0001418200000000 ] - [ 0.0000000000000000, -0.0036099100000000, -0.0001487600000000 ] - [ 0.0000000000000000, -0.0023133400000000, -0.0000095400000000 ] - [ 0.0000000000000000, -0.0023068600000000, -0.0000099000000000 ] - [ 0.0000050200000000, -0.0033864300000000, 0.0008334400000000 ] - [ -0.0000050200000000, -0.0033864300000000, 0.0008334400000000 ] - [ 0.0000000000000000, 0.0022114800000000, -0.0016661000000000 ] - [ 0.0000000000000000, 0.0026918800000000, -0.0012529600000000 ] - [ 0.0000000000000000, -0.0027401800000000, 0.0002318200000000 ] - [ 0.0000000000000000, -0.0027387800000000, 0.0002190700000000 ] - [ 0.0000000000000000, -0.0020975900000000, -0.0089327300000000 ] - [ 0.0000000000000000, 0.0008427200000000, -0.0016274600000000 ] - [ 0.0000326300000000, -0.0008330900000000, 0.0001841200000000 ] - [ -0.0000326300000000, -0.0008330900000000, 0.0001841200000000 ] - [ -0.0000007000000000, -0.0022077700000000, 0.0000283100000000 ] - [ 0.0000007000000000, -0.0022077700000000, 0.0000283100000000 ] - [ 0.0000000000000000, -0.0008842100000000, -0.0019103000000000 ] - [ 0.0000000000000000, -0.0006842500000000, -0.0012847100000000 ] - [ 0.0000000000000000, 0.0029653100000000, 0.0039692900000000 ] - [ 0.0000000000000000, -0.0009515100000000, 0.0020953600000000 ] - [ 0.0000000000000000, -0.0053638200000000, 0.0062792600000000 ] - [ 0.0000000000000000, -0.0040123600000000, 0.0017139200000000 ] - [ -0.0000236300000000, 0.0020301800000000, -0.0008103000000000 ] - [ 0.0000236300000000, 0.0020301800000000, -0.0008103000000000 ] - [ 0.0002776200000000, 0.0025973000000000, -0.0006286500000000 ] - [ -0.0002776200000000, 0.0025973000000000, -0.0006286500000000 ] - [ 0.0001890600000000, 0.0023106100000000, 0.0003368600000000 ] - [ -0.0001890600000000, 0.0023106100000000, 0.0003368600000000 ] - [ 0.0000000000000000, -0.0182332000000000, -0.0077361500000000 ] - [ 0.0000000000000000, -0.0048968500000000, 0.0019182700000000 ] - [ -0.0000007700000000, 0.0029217000000000, -0.0000814500000000 ] - [ 0.0000007700000000, 0.0029217000000000, -0.0000814500000000 ] - [ -0.0000009700000000, 0.0020882700000000, -0.0002762600000000 ] - [ 0.0000009700000000, 0.0020882700000000, -0.0002762600000000 ] - [ 0.0000000000000000, 0.0016914100000000, 0.0024553000000000 ] - [ 0.0000000000000000, 0.0010712600000000, 0.0021757300000000 ] - [ 0.0000000000000000, 0.0026844700000000, 0.0010498000000000 ] - [ 0.0000000000000000, 0.0019280000000000, 0.0007698400000000 ] - [ 0.0000000000000000, 0.0044608500000000, 0.0022277100000000 ] - [ 0.0000000000000000, 0.0027956800000000, 0.0013197500000000 ] - [ -0.0000002000000000, 0.0021431300000000, 0.0002313200000000 ] - [ 0.0000002000000000, 0.0021431300000000, 0.0002313200000000 ] - [ -0.0156659400000000, -0.0252397400000000, 0.0043873900000000 ] - [ 0.0156659400000000, -0.0252397400000000, 0.0043873900000000 ] - [ 0.0000000000000000, 0.0098285500000000, -0.0004172000000000 ] - [ 0.0000000000000000, 0.0032870700000000, 0.0000055900000000 ] - [ 0.0000000000000000, -0.0115782000000000, -0.0033407600000000 ] - [ 0.0000000000000000, -0.0082371000000000, 0.0011147600000000 ] - [ 0.0000000000000000, 0.0006988500000000, -0.0020000100000000 ] - [ 0.0000000000000000, 0.0005840800000000, -0.0019442600000000 ] - [ 0.0005002600000000, 0.0021973200000000, 0.0007879100000000 ] - [ -0.0005002600000000, 0.0021973200000000, 0.0007879100000000 ] - [ 0.0002149200000000, 0.0003537700000000, 0.0003338100000000 ] - [ -0.0002149200000000, 0.0003537700000000, 0.0003338100000000 ] - [ -0.0001633900000000, -0.0058820200000000, -0.0036747600000000 ] - [ 0.0001633900000000, -0.0058820200000000, -0.0036747600000000 ] - [ 0.0000000000000000, 0.0021235300000000, 0.0002405300000000 ] - [ 0.0000000000000000, 0.0020082300000000, 0.0000935300000000 ] - [ 0.0000058900000000, 0.0027573800000000, 0.0000806900000000 ] - [ -0.0000058900000000, 0.0027573800000000, 0.0000806900000000 ] - [ 0.0000000000000000, 0.0026324700000000, 0.0003277800000000 ] - [ 0.0000000000000000, 0.0022634300000000, 0.0002021400000000 ] - [ 0.0000000000000000, 0.0024785000000000, -0.0000296000000000 ] - [ 0.0000000000000000, 0.0024838400000000, -0.0000284700000000 ] - [ 0.0000000000000000, 0.0023481700000000, -0.0000072000000000 ] - [ 0.0000000000000000, 0.0023464700000000, -0.0000088900000000 ] - [ 0.0000000000000000, 0.0024365900000000, -0.0004152400000000 ] - [ 0.0000000000000000, 0.0024054900000000, -0.0003835300000000 ] - [ -0.0000312100000000, 0.0023497600000000, -0.0002237200000000 ] - [ 0.0000312100000000, 0.0023497600000000, -0.0002237200000000 ] - [ -0.0000102300000000, 0.0024592800000000, -0.0000084300000000 ] - [ 0.0000102300000000, 0.0024592800000000, -0.0000084300000000 ] - [ -0.0000409500000000, 0.0019489200000000, 0.0003952600000000 ] - [ 0.0000409500000000, 0.0019489200000000, 0.0003952600000000 ] - [ 0.0000000000000000, 0.0021197600000000, -0.0006430600000000 ] - [ 0.0000000000000000, 0.0021555100000000, -0.0006295500000000 ] - [ 0.0000000000000000, 0.0014290600000000, 0.0002825400000000 ] - [ 0.0000000000000000, 0.0014179000000000, 0.0002680300000000 ] - [ 0.0000000000000000, 0.0023488600000000, 0.0004569100000000 ] - [ 0.0000000000000000, 0.0023224100000000, 0.0004309300000000 ] - [ -0.0001184700000000, -0.0001944700000000, -0.0000885900000000 ] - [ 0.0001184700000000, -0.0001944700000000, -0.0000885900000000 ] - [ 0.0000000000000000, -0.0060868100000000, -0.0046035700000000 ] - [ 0.0000000000000000, -0.0057620300000000, -0.0034173000000000 ] - [ -0.0011348300000000, 0.0040756600000000, -0.0014578500000000 ] - [ 0.0011348300000000, 0.0040756600000000, -0.0014578500000000 ] - [ -0.0050699500000000, -0.0090853200000000, -0.0032108200000000 ] - [ 0.0050699500000000, -0.0090853200000000, -0.0032108200000000 ] - [ -0.0009569800000000, -0.0039608600000000, 0.0016931500000000 ] - [ 0.0009569800000000, -0.0039608600000000, 0.0016931500000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002106300000000, -0.0000107300000000 ] - [ 0.0000000000000000, -0.0002110400000000, -0.0000106500000000 ] - [ 0.0000000000000000, -0.0001498600000000, 0.0007504000000000 ] - [ 0.0000000000000000, -0.0001636800000000, 0.0006277000000000 ] - [ 0.0000000000000000, -0.0000537200000000, -0.0008631000000000 ] - [ 0.0000000000000000, 0.0000858700000000, -0.0007528500000000 ] - [ 0.0000000000000000, -0.0242326200000000, -0.1097836400000000 ] - [ 0.0000000000000000, 0.0022605300000000, -0.0139177100000000 ] - [ 0.0000000000000000, 0.0037664700000000, 0.0002222000000000 ] - [ 0.0000000000000000, 0.0014376900000000, 0.0002614600000000 ] - [ 0.0014116700000000, -0.0002360500000000, 0.0046200800000000 ] - [ -0.0014116700000000, -0.0002360500000000, 0.0046200800000000 ] - [ 0.0000649900000000, 0.0007284900000000, 0.0000799000000000 ] - [ -0.0000649900000000, 0.0007284900000000, 0.0000799000000000 ] - [ -0.0023572800000000, -0.0078683300000000, 0.0013494400000000 ] - [ 0.0023572800000000, -0.0078683300000000, 0.0013494400000000 ] - [ 0.0113657800000000, -0.0047148200000000, 0.0124479600000000 ] - [ -0.0113657800000000, -0.0047148200000000, 0.0124479600000000 ] - [ 0.0000000000000000, -0.0070939500000000, 0.0275631800000000 ] - [ 0.0000000000000000, -0.0014377200000000, 0.0064232000000000 ] - [ 0.0000536300000000, 0.0006525100000000, -0.0000826100000000 ] - [ -0.0000536300000000, 0.0006525100000000, -0.0000826100000000 ] - [ 0.0074277700000000, 0.0083840700000000, -0.0057175800000000 ] - [ -0.0074277700000000, 0.0083840700000000, -0.0057175800000000 ] - [ -0.0112085000000000, 0.0122453200000000, 0.0004908400000000 ] - [ 0.0112085000000000, 0.0122453200000000, 0.0004908400000000 ] - [ -0.0001164500000000, 0.0007696100000000, 0.0006543400000000 ] - [ 0.0001164500000000, 0.0007696100000000, 0.0006543400000000 ] - [ -0.0001615600000000, 0.0002638600000000, -0.0010061700000000 ] - [ 0.0001615600000000, 0.0002638600000000, -0.0010061700000000 ] - [ -0.0000030000000000, 0.0006973200000000, -0.0001381000000000 ] - [ 0.0000030000000000, 0.0006973200000000, -0.0001381000000000 ] - [ -0.0000112400000000, -0.0004198000000000, 0.0004589300000000 ] - [ 0.0000112400000000, -0.0004198000000000, 0.0004589300000000 ] - [ 0.0000000000000000, 0.0006574700000000, 0.0003421900000000 ] - [ 0.0000000000000000, 0.0006480500000000, 0.0003368200000000 ] - [ 0.0000000000000000, -0.0132937900000000, -0.0030716300000000 ] - [ 0.0000000000000000, -0.0043609600000000, -0.0020030700000000 ] - [ 0.0000000000000000, 0.0009463800000000, -0.0000549100000000 ] - [ 0.0000000000000000, 0.0008546000000000, -0.0000540300000000 ] - [ 0.0000000000000000, 0.0012078400000000, 0.0000125800000000 ] - [ 0.0000000000000000, 0.0012034500000000, 0.0000125700000000 ] - [ -0.0000022700000000, 0.0007047800000000, 0.0001332800000000 ] - [ 0.0000022700000000, 0.0007047800000000, 0.0001332800000000 ] - [ 0.0000000000000000, -0.0015552700000000, 0.0048708400000000 ] - [ 0.0000000000000000, -0.0011348400000000, 0.0032574200000000 ] - [ 0.0000000000000000, 0.0005574000000000, -0.0003123300000000 ] - [ 0.0000000000000000, 0.0005431400000000, -0.0003093900000000 ] - [ 0.0000000000000000, 0.0088849000000000, 0.0161652100000000 ] - [ 0.0000000000000000, -0.0003845700000000, 0.0016128700000000 ] - [ -0.0000059900000000, 0.0007031700000000, -0.0000145700000000 ] - [ 0.0000059900000000, 0.0007031700000000, -0.0000145700000000 ] - [ 0.0000000500000000, -0.0005924200000000, 0.0000153000000000 ] - [ -0.0000000500000000, -0.0005924200000000, 0.0000153000000000 ] - [ 0.0000000000000000, 0.0015509100000000, -0.0003380300000000 ] - [ 0.0000000000000000, 0.0015807600000000, -0.0004837200000000 ] - [ 0.0000000000000000, -0.0077885900000000, -0.0045867300000000 ] - [ 0.0000000000000000, -0.0000549800000000, -0.0012285300000000 ] - [ 0.0000000000000000, 0.0016701000000000, -0.0142753800000000 ] - [ 0.0000000000000000, 0.0000999800000000, -0.0034964500000000 ] - [ -0.0000002500000000, -0.0001830500000000, -0.0002168300000000 ] - [ 0.0000002500000000, -0.0001830500000000, -0.0002168300000000 ] - [ 0.0000306000000000, 0.0002705700000000, 0.0000786300000000 ] - [ -0.0000306000000000, 0.0002705700000000, 0.0000786300000000 ] - [ 0.0000158300000000, -0.0001934100000000, 0.0002801900000000 ] - [ -0.0000158300000000, -0.0001934100000000, 0.0002801900000000 ] - [ 0.0000000000000000, 0.0111189400000000, 0.0286702100000000 ] - [ 0.0000000000000000, -0.0004867600000000, 0.0011725600000000 ] - [ 0.0000018000000000, 0.0002114000000000, -0.0000270500000000 ] - [ -0.0000018000000000, 0.0002114000000000, -0.0000270500000000 ] - [ 0.0000002700000000, -0.0002963500000000, 0.0001109600000000 ] - [ -0.0000002700000000, -0.0002963500000000, 0.0001109600000000 ] - [ 0.0000000000000000, -0.0021497600000000, -0.0019424200000000 ] - [ 0.0000000000000000, -0.0018177000000000, -0.0016942400000000 ] - [ 0.0000000000000000, -0.0015091300000000, 0.0001661500000000 ] - [ 0.0000000000000000, -0.0011711900000000, 0.0002247000000000 ] - [ 0.0000000000000000, -0.0018654800000000, 0.0033090400000000 ] - [ 0.0000000000000000, -0.0013079400000000, 0.0029789800000000 ] - [ 0.0000013500000000, -0.0002823700000000, -0.0001336400000000 ] - [ -0.0000013500000000, -0.0002823700000000, -0.0001336400000000 ] - [ -0.0040661000000000, -0.0013610300000000, 0.0103080100000000 ] - [ 0.0040661000000000, -0.0013610300000000, 0.0103080100000000 ] - [ 0.0000000000000000, 0.0014914900000000, 0.0038610200000000 ] - [ 0.0000000000000000, 0.0009869400000000, 0.0029124900000000 ] - [ 0.0000000000000000, 0.0039311200000000, 0.0139504300000000 ] - [ 0.0000000000000000, 0.0004137400000000, 0.0002497200000000 ] - [ 0.0000000000000000, 0.0010555300000000, -0.0019731900000000 ] - [ 0.0000000000000000, 0.0009539900000000, -0.0017755600000000 ] - [ -0.0002211600000000, -0.0015222200000000, 0.0006108500000000 ] - [ 0.0002211600000000, -0.0015222200000000, 0.0006108500000000 ] - [ -0.0003932700000000, -0.0006412900000000, -0.0009529200000000 ] - [ 0.0003932700000000, -0.0006412900000000, -0.0009529200000000 ] - [ 0.0028132900000000, 0.0034056200000000, -0.0046703500000000 ] - [ -0.0028132900000000, 0.0034056200000000, -0.0046703500000000 ] - [ 0.0000000000000000, -0.0007684300000000, -0.0006657100000000 ] - [ 0.0000000000000000, -0.0005514800000000, -0.0004238700000000 ] - [ -0.0000038600000000, -0.0003047900000000, -0.0000158700000000 ] - [ 0.0000038600000000, -0.0003047900000000, -0.0000158700000000 ] - [ 0.0000000000000000, -0.0009050200000000, 0.0006958700000000 ] - [ 0.0000000000000000, -0.0006175500000000, 0.0003775900000000 ] - [ 0.0000000000000000, -0.0004774300000000, 0.0000747000000000 ] - [ 0.0000000000000000, -0.0004765800000000, 0.0000786800000000 ] - [ 0.0000000000000000, -0.0004595000000000, -0.0000642900000000 ] - [ 0.0000000000000000, -0.0004586500000000, -0.0000672900000000 ] - [ 0.0000000000000000, -0.0005469000000000, 0.0000614100000000 ] - [ 0.0000000000000000, -0.0005336600000000, 0.0000520900000000 ] - [ 0.0000162600000000, -0.0003051200000000, 0.0001789800000000 ] - [ -0.0000162600000000, -0.0003051200000000, 0.0001789800000000 ] - [ -0.0000020300000000, -0.0005899400000000, 0.0000104600000000 ] - [ 0.0000020300000000, -0.0005899400000000, 0.0000104600000000 ] - [ 0.0000174300000000, -0.0004278700000000, -0.0001190500000000 ] - [ -0.0000174300000000, -0.0004278700000000, -0.0001190500000000 ] - [ 0.0000000000000000, -0.0001725400000000, 0.0004167500000000 ] - [ 0.0000000000000000, -0.0001224100000000, 0.0004068800000000 ] - [ 0.0000000000000000, -0.0003986000000000, -0.0005182100000000 ] - [ 0.0000000000000000, -0.0003874100000000, -0.0005039400000000 ] - [ 0.0000000000000000, -0.0005589800000000, -0.0000382000000000 ] - [ 0.0000000000000000, -0.0005482700000000, -0.0000278900000000 ] - [ -0.0001895500000000, 0.0003903700000000, -0.0008613300000000 ] - [ 0.0001895500000000, 0.0003903700000000, -0.0008613300000000 ] - [ 0.0000000000000000, 0.0054236700000000, -0.0045174900000000 ] - [ 0.0000000000000000, 0.0041326400000000, -0.0011584900000000 ] - [ -0.0006826600000000, 0.0020279300000000, 0.0003112100000000 ] - [ 0.0006826600000000, 0.0020279300000000, 0.0003112100000000 ] - [ 0.0018302000000000, 0.0002287100000000, 0.0105452700000000 ] - [ -0.0018302000000000, 0.0002287100000000, 0.0105452700000000 ] - [ 0.0009750600000000, -0.0002678700000000, -0.0043256900000000 ] - [ -0.0009750600000000, -0.0002678700000000, -0.0043256900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0010920800000000, 0.0000134700000000 ] - [ 0.0000000000000000, -0.0010913700000000, 0.0000136500000000 ] - [ 0.0000000000000000, -0.0001590800000000, -0.0010241100000000 ] - [ 0.0000000000000000, -0.0001458500000000, -0.0009011700000000 ] - [ 0.0000000000000000, -0.0002738000000000, 0.0011416500000000 ] - [ 0.0000000000000000, -0.0004077800000000, 0.0010326700000000 ] - [ 0.0000000000000000, 0.0243350600000000, 0.1083208900000000 ] - [ 0.0000000000000000, -0.0020881700000000, 0.0135165200000000 ] - [ 0.0000000000000000, -0.0037514100000000, -0.0002234500000000 ] - [ 0.0000000000000000, -0.0014278500000000, -0.0002642100000000 ] - [ -0.0014077800000000, 0.0005795100000000, -0.0043327100000000 ] - [ 0.0014077800000000, 0.0005795100000000, -0.0043327100000000 ] - [ -0.0000651500000000, -0.0008684600000000, 0.0002958600000000 ] - [ 0.0000651500000000, -0.0008684600000000, 0.0002958600000000 ] - [ 0.0023632600000000, 0.0078366400000000, -0.0012697900000000 ] - [ -0.0023632600000000, 0.0078366400000000, -0.0012697900000000 ] - [ -0.0112290500000000, 0.0059850100000000, -0.0123419500000000 ] - [ 0.0112290500000000, 0.0059850100000000, -0.0123419500000000 ] - [ 0.0000000000000000, 0.0072629900000000, -0.0273776800000000 ] - [ 0.0000000000000000, 0.0015718100000000, -0.0060302600000000 ] - [ -0.0000534200000000, -0.0007909900000000, -0.0002892400000000 ] - [ 0.0000534200000000, -0.0007909900000000, -0.0002892400000000 ] - [ -0.0074005100000000, -0.0080728500000000, 0.0053354700000000 ] - [ 0.0074005100000000, -0.0080728500000000, 0.0053354700000000 ] - [ 0.0112753900000000, -0.0135995600000000, -0.0004547200000000 ] - [ -0.0112753900000000, -0.0135995600000000, -0.0004547200000000 ] - [ 0.0001168900000000, -0.0010897800000000, -0.0009328600000000 ] - [ -0.0001168900000000, -0.0010897800000000, -0.0009328600000000 ] - [ 0.0001647900000000, -0.0005727400000000, 0.0012955800000000 ] - [ -0.0001647900000000, -0.0005727400000000, 0.0012955800000000 ] - [ 0.0000016400000000, -0.0005607100000000, -0.0002357500000000 ] - [ -0.0000016400000000, -0.0005607100000000, -0.0002357500000000 ] - [ 0.0000108300000000, 0.0004208000000000, -0.0004639800000000 ] - [ -0.0000108300000000, 0.0004208000000000, -0.0004639800000000 ] - [ 0.0000000000000000, -0.0003450200000000, -0.0000567500000000 ] - [ 0.0000000000000000, -0.0003377600000000, -0.0000521300000000 ] - [ 0.0000000000000000, 0.0131956100000000, 0.0033583500000000 ] - [ 0.0000000000000000, 0.0042686600000000, 0.0023446300000000 ] - [ 0.0000000000000000, -0.0009527500000000, 0.0000565500000000 ] - [ 0.0000000000000000, -0.0008582900000000, 0.0000554800000000 ] - [ 0.0000000000000000, 0.0000907700000000, -0.0000100600000000 ] - [ 0.0000000000000000, 0.0000945100000000, -0.0000102200000000 ] - [ 0.0000014400000000, -0.0005685600000000, 0.0002444300000000 ] - [ -0.0000014400000000, -0.0005685600000000, 0.0002444300000000 ] - [ 0.0000000000000000, 0.0013898800000000, -0.0052277000000000 ] - [ 0.0000000000000000, 0.0009801600000000, -0.0036306700000000 ] - [ 0.0000000000000000, -0.0002458900000000, 0.0000320000000000 ] - [ 0.0000000000000000, -0.0002309600000000, 0.0000290100000000 ] - [ 0.0000000000000000, -0.0102969800000000, -0.0160490200000000 ] - [ 0.0000000000000000, -0.0012001400000000, -0.0016242500000000 ] - [ 0.0000063900000000, 0.0008879100000000, 0.0000181300000000 ] - [ -0.0000063900000000, 0.0008879100000000, 0.0000181300000000 ] - [ -0.0000000300000000, -0.0010022500000000, -0.0000130700000000 ] - [ 0.0000000300000000, -0.0010022500000000, -0.0000130700000000 ] - [ 0.0000000000000000, 0.0000409400000000, 0.0003472700000000 ] - [ 0.0000000000000000, 0.0000119700000000, 0.0004982400000000 ] - [ 0.0000000000000000, 0.0086864900000000, 0.0046162400000000 ] - [ 0.0000000000000000, 0.0009796000000000, 0.0012445400000000 ] - [ 0.0000000000000000, -0.0015948900000000, 0.0144442800000000 ] - [ 0.0000000000000000, -0.0000107100000000, 0.0036986100000000 ] - [ 0.0000000000000000, 0.0000784600000000, 0.0000252800000000 ] - [ 0.0000000000000000, 0.0000784600000000, 0.0000252800000000 ] - [ -0.0000297700000000, -0.0011914800000000, -0.0000797400000000 ] - [ 0.0000297700000000, -0.0011914800000000, -0.0000797400000000 ] - [ -0.0000155500000000, 0.0000907600000000, -0.0000871300000000 ] - [ 0.0000155500000000, 0.0000907600000000, -0.0000871300000000 ] - [ 0.0000000000000000, -0.0101476000000000, -0.0271588100000000 ] - [ 0.0000000000000000, 0.0005930100000000, -0.0013065900000000 ] - [ -0.0000017800000000, 0.0007218900000000, 0.0000297200000000 ] - [ 0.0000017800000000, 0.0007218900000000, 0.0000297200000000 ] - [ -0.0000002500000000, 0.0004044900000000, 0.0000819300000000 ] - [ 0.0000002500000000, 0.0004044900000000, 0.0000819300000000 ] - [ 0.0000000000000000, 0.0020518600000000, 0.0017405800000000 ] - [ 0.0000000000000000, 0.0017209200000000, 0.0014982300000000 ] - [ 0.0000000000000000, 0.0005818900000000, -0.0001678400000000 ] - [ 0.0000000000000000, 0.0002397300000000, -0.0002280300000000 ] - [ 0.0000000000000000, 0.0017617700000000, -0.0031326300000000 ] - [ 0.0000000000000000, 0.0011927600000000, -0.0028028900000000 ] - [ -0.0000013900000000, 0.0003902200000000, -0.0000543200000000 ] - [ 0.0000013900000000, 0.0003902200000000, -0.0000543200000000 ] - [ 0.0040736500000000, 0.0012804200000000, -0.0103610200000000 ] - [ -0.0040736500000000, 0.0012804200000000, -0.0103610200000000 ] - [ 0.0000000000000000, -0.0012289600000000, -0.0038256200000000 ] - [ 0.0000000000000000, -0.0007409500000000, -0.0028751500000000 ] - [ 0.0000000000000000, -0.0051619700000000, -0.0150358400000000 ] - [ 0.0000000000000000, -0.0008011800000000, -0.0002989900000000 ] - [ 0.0000000000000000, -0.0008427000000000, 0.0019344800000000 ] - [ 0.0000000000000000, -0.0007391600000000, 0.0017332900000000 ] - [ 0.0002218700000000, 0.0013000500000000, -0.0006251600000000 ] - [ -0.0002218700000000, 0.0013000500000000, -0.0006251600000000 ] - [ 0.0003932700000000, 0.0004081100000000, 0.0009772400000000 ] - [ -0.0003932700000000, 0.0004081100000000, 0.0009772400000000 ] - [ -0.0028566700000000, -0.0035760500000000, 0.0048245500000000 ] - [ 0.0028566700000000, -0.0035760500000000, 0.0048245500000000 ] - [ 0.0000000000000000, 0.0008947700000000, 0.0005169100000000 ] - [ 0.0000000000000000, 0.0006785300000000, 0.0002749100000000 ] - [ 0.0000039000000000, 0.0006754800000000, 0.0000184000000000 ] - [ -0.0000039000000000, 0.0006754800000000, 0.0000184000000000 ] - [ 0.0000000000000000, 0.0010340100000000, -0.0005402300000000 ] - [ 0.0000000000000000, 0.0007458900000000, -0.0002227200000000 ] - [ 0.0000000000000000, 0.0004791900000000, -0.0000722900000000 ] - [ 0.0000000000000000, 0.0004784000000000, -0.0000761400000000 ] - [ 0.0000000000000000, 0.0004606400000000, 0.0000662400000000 ] - [ 0.0000000000000000, 0.0004598300000000, 0.0000690600000000 ] - [ 0.0000000000000000, 0.0004201900000000, -0.0002097400000000 ] - [ 0.0000000000000000, 0.0004071300000000, -0.0001996000000000 ] - [ -0.0000163900000000, 0.0005285800000000, -0.0001550800000000 ] - [ 0.0000163900000000, 0.0005285800000000, -0.0001550800000000 ] - [ 0.0000020500000000, 0.0002230000000000, -0.0000084000000000 ] - [ -0.0000020500000000, 0.0002230000000000, -0.0000084000000000 ] - [ -0.0000176800000000, 0.0006541400000000, 0.0000980000000000 ] - [ 0.0000176800000000, 0.0006541400000000, 0.0000980000000000 ] - [ 0.0000000000000000, -0.0000517700000000, -0.0004367200000000 ] - [ 0.0000000000000000, -0.0001023200000000, -0.0004268500000000 ] - [ 0.0000000000000000, 0.0001790100000000, 0.0005453000000000 ] - [ 0.0000000000000000, 0.0001676600000000, 0.0005307900000000 ] - [ 0.0000000000000000, 0.0004326600000000, 0.0001903800000000 ] - [ 0.0000000000000000, 0.0004220600000000, 0.0001795200000000 ] - [ 0.0001863100000000, -0.0002486800000000, 0.0007177500000000 ] - [ -0.0001863100000000, -0.0002486800000000, 0.0007177500000000 ] - [ 0.0000000000000000, -0.0049863900000000, 0.0044764500000000 ] - [ 0.0000000000000000, -0.0037323400000000, 0.0011843500000000 ] - [ 0.0006796600000000, -0.0019156300000000, -0.0001527600000000 ] - [ -0.0006796600000000, -0.0019156300000000, -0.0001527600000000 ] - [ -0.0017469200000000, -0.0003255400000000, -0.0105336700000000 ] - [ 0.0017469200000000, -0.0003255400000000, -0.0105336700000000 ] - [ -0.0009887700000000, 0.0002857000000000, 0.0043259300000000 ] - [ 0.0009887700000000, 0.0002857000000000, 0.0043259300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004768300000000, -0.0006497400000000, 0.0000000000000000 ] - [ 0.0004765300000000, -0.0006489900000000, 0.0000000000000000 ] - [ -0.0110644700000000, -0.0001339400000000, -0.0002153900000000 ] - [ 0.0086748000000000, -0.0001532900000000, -0.0001052900000000 ] - [ -0.0110644700000000, -0.0001339400000000, 0.0002153900000000 ] - [ 0.0086748000000000, -0.0001532900000000, 0.0001052900000000 ] - [ -0.0002717100000000, 0.0000674100000000, -0.0001859900000000 ] - [ 0.0003108600000000, 0.0000636200000000, -0.0001931300000000 ] - [ -0.0893951700000000, 0.0001248200000000, 0.0000000000000000 ] - [ 0.0607723800000000, 0.0000541100000000, 0.0000000000000000 ] - [ 0.0017788000000000, -0.0121998300000000, 0.0045424900000000 ] - [ 0.0018165500000000, 0.0124494800000000, -0.0042172000000000 ] - [ 0.0008514700000000, 0.0040934200000000, -0.0021676300000000 ] - [ 0.0009507500000000, -0.0042276000000000, 0.0025532400000000 ] - [ 0.0000008200000000, -0.0001693700000000, 0.0000000000000000 ] - [ 0.0000020500000000, 0.0001802300000000, 0.0000000000000000 ] - [ 0.0000267600000000, 0.0005632500000000, 0.0000000000000000 ] - [ 0.0000382300000000, 0.0007325000000000, 0.0000000000000000 ] - [ -0.0002717100000000, 0.0000674100000000, 0.0001859900000000 ] - [ 0.0003108600000000, 0.0000636200000000, 0.0001931300000000 ] - [ 0.0008514700000000, 0.0040934200000000, 0.0021676300000000 ] - [ 0.0009507500000000, -0.0042276000000000, -0.0025532400000000 ] - [ 0.0017788000000000, -0.0121998300000000, -0.0045424900000000 ] - [ 0.0018165500000000, 0.0124494800000000, 0.0042172000000000 ] - [ 0.0000014200000000, -0.0006656300000000, 0.0000000000000000 ] - [ 0.0000016300000000, -0.0006404700000000, 0.0000000000000000 ] - [ 0.0000015300000000, -0.0001621300000000, -0.0001429000000000 ] - [ 0.0000012400000000, -0.0001620700000000, -0.0001428900000000 ] - [ 0.0000015300000000, -0.0001621300000000, 0.0001429000000000 ] - [ 0.0000012400000000, -0.0001620700000000, 0.0001428900000000 ] - [ 0.0000030400000000, 0.0000640900000000, -0.0001764400000000 ] - [ 0.0000035200000000, 0.0000665900000000, -0.0001973200000000 ] - [ 0.0000008400000000, -0.0000018800000000, 0.0000000000000000 ] - [ 0.0000008300000000, -0.0000042400000000, 0.0000000000000000 ] - [ -0.0000027600000000, 0.0001568000000000, 0.0001421400000000 ] - [ 0.0000053100000000, 0.0001564100000000, 0.0001422800000000 ] - [ 0.0000081200000000, -0.0000712600000000, 0.0001870700000000 ] - [ -0.0000064300000000, -0.0000719700000000, 0.0001869300000000 ] - [ 0.0000004400000000, -0.0000044000000000, 0.0000000000000000 ] - [ 0.0000017200000000, -0.0000048700000000, 0.0000000000000000 ] - [ -0.0001722100000000, 0.0006441000000000, 0.0000000000000000 ] - [ 0.0001665900000000, 0.0006479800000000, 0.0000000000000000 ] - [ 0.0000030400000000, 0.0000640900000000, 0.0001764400000000 ] - [ 0.0000035200000000, 0.0000665900000000, 0.0001973200000000 ] - [ 0.0000081200000000, -0.0000712600000000, -0.0001870700000000 ] - [ -0.0000064300000000, -0.0000719700000000, -0.0001869300000000 ] - [ -0.0000027600000000, 0.0001568000000000, -0.0001421400000000 ] - [ 0.0000053100000000, 0.0001564100000000, -0.0001422800000000 ] - [ 0.0005261000000000, -0.0007731000000000, 0.0000000000000000 ] - [ -0.0007816700000000, -0.0008191900000000, 0.0000000000000000 ] - [ 0.0000225500000000, 0.0005746600000000, 0.0000000000000000 ] - [ 0.0000200400000000, 0.0010315700000000, 0.0000000000000000 ] - [ 0.0000014300000000, -0.0007961600000000, 0.0000000000000000 ] - [ 0.0000014100000000, -0.0008000200000000, 0.0000000000000000 ] - [ 0.0000006100000000, 0.0007956500000000, 0.0000000000000000 ] - [ 0.0000028900000000, 0.0007959100000000, 0.0000000000000000 ] - [ 0.0104722300000000, 0.0005114300000000, 0.0000000000000000 ] - [ -0.0046501200000000, 0.0005136100000000, 0.0000000000000000 ] - [ 0.0008697800000000, 0.0000496300000000, 0.0001024300000000 ] - [ -0.0006878500000000, 0.0000683800000000, 0.0000835500000000 ] - [ 0.0000180200000000, -0.0003726900000000, -0.0004307000000000 ] - [ 0.0000098600000000, 0.0002493500000000, 0.0002529800000000 ] - [ -0.0000359700000000, -0.0004833000000000, 0.0000000000000000 ] - [ -0.0000424900000000, -0.0004579600000000, 0.0000000000000000 ] - [ 0.0000180200000000, -0.0003726900000000, 0.0004307000000000 ] - [ 0.0000098600000000, 0.0002493500000000, -0.0002529800000000 ] - [ 0.0008697800000000, 0.0000496300000000, -0.0001024300000000 ] - [ -0.0006878500000000, 0.0000683800000000, -0.0000835500000000 ] - [ 0.0000012200000000, 0.0004621700000000, 0.0000000000000000 ] - [ 0.0000011300000000, 0.0004716300000000, 0.0000000000000000 ] - [ 0.0000004400000000, 0.0000514000000000, 0.0000962300000000 ] - [ 0.0000003800000000, 0.0000656000000000, 0.0000893500000000 ] - [ -0.0000002000000000, -0.0000523700000000, -0.0000933100000000 ] - [ 0.0000030400000000, -0.0000523300000000, -0.0000932200000000 ] - [ 0.0000018100000000, -0.0004597700000000, 0.0000000000000000 ] - [ 0.0000007100000000, -0.0004597600000000, 0.0000000000000000 ] - [ -0.0000002000000000, -0.0000523700000000, 0.0000933100000000 ] - [ 0.0000030400000000, -0.0000523300000000, 0.0000932200000000 ] - [ 0.0000004400000000, 0.0000514000000000, -0.0000962300000000 ] - [ 0.0000003800000000, 0.0000656000000000, -0.0000893500000000 ] - [ -0.0000165100000000, 0.0003644300000000, 0.0005000600000000 ] - [ -0.0000198900000000, -0.0004890700000000, -0.0006449500000000 ] - [ 0.0022673700000000, 0.0001076200000000, 0.0000154100000000 ] - [ -0.0021192200000000, 0.0001103100000000, 0.0000151000000000 ] - [ 0.0000308700000000, -0.0001801200000000, 0.0000000000000000 ] - [ -0.0000266500000000, -0.0001778300000000, 0.0000000000000000 ] - [ 0.0022673700000000, 0.0001076200000000, -0.0000154100000000 ] - [ -0.0021192200000000, 0.0001103100000000, -0.0000151000000000 ] - [ 0.0028274200000000, 0.0005248100000000, 0.0016869700000000 ] - [ 0.0023571800000000, -0.0008621600000000, -0.0021588600000000 ] - [ 0.0028274200000000, 0.0005248100000000, -0.0016869700000000 ] - [ 0.0023571800000000, -0.0008621600000000, 0.0021588600000000 ] - [ -0.0000165100000000, 0.0003644300000000, -0.0005000600000000 ] - [ -0.0000198900000000, -0.0004890700000000, 0.0006449500000000 ] - [ 0.0079230300000000, 0.0001051200000000, -0.0000425300000000 ] - [ -0.0051000500000000, 0.0000099100000000, -0.0001114800000000 ] - [ -0.0000569900000000, -0.0002405400000000, 0.0000000000000000 ] - [ -0.0000650800000000, 0.0006149400000000, 0.0000000000000000 ] - [ 0.0079230300000000, 0.0001051200000000, 0.0000425300000000 ] - [ -0.0051000500000000, 0.0000099100000000, 0.0001114800000000 ] - [ 0.0000490000000000, 0.0000042700000000, -0.0000022900000000 ] - [ 0.0000832700000000, 0.0000059300000000, -0.0000034100000000 ] - [ 0.0000490000000000, 0.0000042700000000, 0.0000022900000000 ] - [ 0.0000832700000000, 0.0000059300000000, 0.0000034100000000 ] - [ 0.0000101100000000, -0.0000607000000000, -0.0000753400000000 ] - [ -0.0000029000000000, -0.0000609700000000, -0.0000754100000000 ] - [ 0.0000013200000000, 0.0001144200000000, 0.0000106600000000 ] - [ 0.0000012700000000, 0.0001144700000000, 0.0000100400000000 ] - [ 0.0000003800000000, -0.0002086400000000, 0.0000000000000000 ] - [ 0.0000004600000000, -0.0001558400000000, 0.0000000000000000 ] - [ 0.0000013200000000, 0.0001144200000000, -0.0000106600000000 ] - [ 0.0000012700000000, 0.0001144700000000, -0.0000100400000000 ] - [ 0.0000017800000000, -0.0001086400000000, -0.0000112400000000 ] - [ 0.0000006900000000, -0.0001086300000000, -0.0000112300000000 ] - [ 0.0000017800000000, -0.0001086400000000, 0.0000112400000000 ] - [ 0.0000006900000000, -0.0001086300000000, 0.0000112300000000 ] - [ 0.0000101100000000, -0.0000607000000000, 0.0000753400000000 ] - [ -0.0000029000000000, -0.0000609700000000, 0.0000754100000000 ] - [ 0.0000013200000000, 0.0000681000000000, -0.0000752900000000 ] - [ 0.0000013300000000, 0.0000668500000000, -0.0000733700000000 ] - [ -0.0001166000000000, 0.0001858600000000, 0.0000000000000000 ] - [ 0.0001449500000000, 0.0001871700000000, 0.0000000000000000 ] - [ 0.0000013200000000, 0.0000681000000000, 0.0000752900000000 ] - [ 0.0000013300000000, 0.0000668500000000, 0.0000733700000000 ] - [ 0.0000058400000000, -0.0000074700000000, -0.0000134100000000 ] - [ 0.0000039200000000, 0.0000138000000000, 0.0000138600000000 ] - [ 0.0000058400000000, -0.0000074700000000, 0.0000134100000000 ] - [ 0.0000039200000000, 0.0000138000000000, -0.0000138600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0007013200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008722500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0188920600000000, 0.0047755800000000 ] - [ 0.0000000000000000, -0.0086435600000000, -0.0019982900000000 ] - [ 0.0000000000000000, -0.0188920600000000, -0.0047755800000000 ] - [ 0.0000000000000000, -0.0086435600000000, 0.0019982900000000 ] - [ 0.0000000000000000, 0.0030065700000000, 0.0035583700000000 ] - [ 0.0000000000000000, 0.0018308700000000, 0.0012431600000000 ] - [ 0.0000000000000000, -0.1142843700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0200583800000000, 0.0000000000000000 ] - [ -0.0095762400000000, 0.0032677000000000, -0.0120867100000000 ] - [ 0.0095762400000000, 0.0032677000000000, -0.0120867100000000 ] - [ 0.0114235800000000, 0.0076623000000000, -0.0077027700000000 ] - [ -0.0114235800000000, 0.0076623000000000, -0.0077027700000000 ] - [ -0.0001724400000000, -0.0057359900000000, 0.0000000000000000 ] - [ 0.0001724400000000, -0.0057359900000000, 0.0000000000000000 ] - [ -0.0020907600000000, 0.0047000400000000, 0.0000000000000000 ] - [ 0.0020907600000000, 0.0047000400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030065700000000, -0.0035583700000000 ] - [ 0.0000000000000000, 0.0018308700000000, -0.0012431600000000 ] - [ 0.0114235800000000, 0.0076623000000000, 0.0077027700000000 ] - [ -0.0114235800000000, 0.0076623000000000, 0.0077027700000000 ] - [ -0.0095762400000000, 0.0032677000000000, 0.0120867100000000 ] - [ 0.0095762400000000, 0.0032677000000000, 0.0120867100000000 ] - [ -0.0001911600000000, 0.0021199200000000, 0.0000000000000000 ] - [ 0.0001911600000000, 0.0021199200000000, 0.0000000000000000 ] - [ -0.0000051100000000, 0.0026602900000000, 0.0001400900000000 ] - [ 0.0000051100000000, 0.0026602900000000, 0.0001400900000000 ] - [ -0.0000051100000000, 0.0026602900000000, -0.0001400900000000 ] - [ 0.0000051100000000, 0.0026602900000000, -0.0001400900000000 ] - [ 0.0000880100000000, 0.0031590700000000, -0.0006109700000000 ] - [ -0.0000880100000000, 0.0031590700000000, -0.0006109700000000 ] - [ -0.0000008200000000, 0.0037533200000000, 0.0000000000000000 ] - [ 0.0000008200000000, 0.0037533200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030131000000000, 0.0005294200000000 ] - [ 0.0000000000000000, 0.0030096300000000, 0.0005329100000000 ] - [ 0.0000000000000000, 0.0037542100000000, 0.0011373500000000 ] - [ 0.0000000000000000, 0.0035288000000000, 0.0010441000000000 ] - [ 0.0000000000000000, 0.0035401300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035303400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0053747200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0044510700000000, 0.0000000000000000 ] - [ 0.0000880100000000, 0.0031590700000000, 0.0006109700000000 ] - [ -0.0000880100000000, 0.0031590700000000, 0.0006109700000000 ] - [ 0.0000000000000000, 0.0037542100000000, -0.0011373500000000 ] - [ 0.0000000000000000, 0.0035288000000000, -0.0010441000000000 ] - [ 0.0000000000000000, 0.0030131000000000, -0.0005294200000000 ] - [ 0.0000000000000000, 0.0030096300000000, -0.0005329100000000 ] - [ 0.0000000000000000, 0.0167016100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001457600000000, 0.0000000000000000 ] - [ -0.0002833900000000, -0.0029299500000000, 0.0000000000000000 ] - [ 0.0002833900000000, -0.0029299500000000, 0.0000000000000000 ] - [ 0.0000008100000000, 0.0007437400000000, 0.0000000000000000 ] - [ -0.0000008100000000, 0.0007437400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022510300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022417400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0151406900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027007500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0083506500000000, 0.0067318700000000 ] - [ 0.0000000000000000, -0.0008204500000000, 0.0006350200000000 ] - [ -0.0010307200000000, 0.0038253200000000, -0.0030356800000000 ] - [ 0.0010307200000000, 0.0038253200000000, -0.0030356800000000 ] - [ -0.0010423300000000, 0.0058331100000000, 0.0000000000000000 ] - [ 0.0010423300000000, 0.0058331100000000, 0.0000000000000000 ] - [ -0.0010307200000000, 0.0038253200000000, 0.0030356800000000 ] - [ 0.0010307200000000, 0.0038253200000000, 0.0030356800000000 ] - [ 0.0000000000000000, -0.0083506500000000, -0.0067318700000000 ] - [ 0.0000000000000000, -0.0008204500000000, -0.0006350200000000 ] - [ -0.0000021700000000, -0.0021950800000000, 0.0000000000000000 ] - [ 0.0000021700000000, -0.0021950800000000, 0.0000000000000000 ] - [ 0.0000068700000000, -0.0022365200000000, 0.0001476900000000 ] - [ -0.0000068700000000, -0.0022365200000000, 0.0001476900000000 ] - [ 0.0000000000000000, -0.0021670000000000, 0.0003514700000000 ] - [ 0.0000000000000000, -0.0021406600000000, 0.0003344000000000 ] - [ 0.0000000000000000, -0.0030377300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030258400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021670000000000, -0.0003514700000000 ] - [ 0.0000000000000000, -0.0021406600000000, -0.0003344000000000 ] - [ 0.0000068700000000, -0.0022365200000000, -0.0001476900000000 ] - [ -0.0000068700000000, -0.0022365200000000, -0.0001476900000000 ] - [ 0.0005609200000000, 0.0004841900000000, -0.0018994800000000 ] - [ -0.0005609200000000, 0.0004841900000000, -0.0018994800000000 ] - [ 0.0000000000000000, 0.0053656300000000, -0.0035937200000000 ] - [ 0.0000000000000000, 0.0045453300000000, -0.0027366000000000 ] - [ 0.0000000000000000, -0.0029702100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021270900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0053656300000000, 0.0035937200000000 ] - [ 0.0000000000000000, 0.0045453300000000, 0.0027366000000000 ] - [ 0.0002540600000000, 0.0152157900000000, -0.0019698000000000 ] - [ -0.0002540600000000, 0.0152157900000000, -0.0019698000000000 ] - [ 0.0002540600000000, 0.0152157900000000, 0.0019698000000000 ] - [ -0.0002540600000000, 0.0152157900000000, 0.0019698000000000 ] - [ 0.0005609200000000, 0.0004841900000000, 0.0018994800000000 ] - [ -0.0005609200000000, 0.0004841900000000, 0.0018994800000000 ] - [ 0.0000000000000000, 0.0126025000000000, -0.0014588200000000 ] - [ 0.0000000000000000, 0.0079771700000000, -0.0009978300000000 ] - [ -0.0009039700000000, -0.0039490000000000, 0.0000000000000000 ] - [ 0.0009039700000000, -0.0039490000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0126025000000000, 0.0014588200000000 ] - [ 0.0000000000000000, 0.0079771700000000, 0.0009978300000000 ] - [ 0.0000000000000000, -0.0030767500000000, 0.0015840100000000 ] - [ 0.0000000000000000, -0.0032428300000000, 0.0016502900000000 ] - [ 0.0000000000000000, -0.0030767500000000, -0.0015840100000000 ] - [ 0.0000000000000000, -0.0032428300000000, -0.0016502900000000 ] - [ 0.0000000000000000, -0.0023835600000000, 0.0003694100000000 ] - [ 0.0000000000000000, -0.0023705100000000, 0.0003695500000000 ] - [ -0.0000012400000000, -0.0019054800000000, 0.0003474000000000 ] - [ 0.0000012400000000, -0.0019054800000000, 0.0003474000000000 ] - [ 0.0000625700000000, -0.0005999500000000, 0.0000000000000000 ] - [ -0.0000625700000000, -0.0005999500000000, 0.0000000000000000 ] - [ -0.0000012400000000, -0.0019054800000000, -0.0003474000000000 ] - [ 0.0000012400000000, -0.0019054800000000, -0.0003474000000000 ] - [ 0.0000000000000000, -0.0021727600000000, 0.0002784500000000 ] - [ 0.0000000000000000, -0.0021711800000000, 0.0002782000000000 ] - [ 0.0000000000000000, -0.0021727600000000, -0.0002784500000000 ] - [ 0.0000000000000000, -0.0021711800000000, -0.0002782000000000 ] - [ 0.0000000000000000, -0.0023835600000000, -0.0003694100000000 ] - [ 0.0000000000000000, -0.0023705100000000, -0.0003695500000000 ] - [ 0.0000144000000000, -0.0024531400000000, -0.0003829800000000 ] - [ -0.0000144000000000, -0.0024531400000000, -0.0003829800000000 ] - [ 0.0000000000000000, -0.0032631200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028364600000000, 0.0000000000000000 ] - [ 0.0000144000000000, -0.0024531400000000, 0.0003829800000000 ] - [ -0.0000144000000000, -0.0024531400000000, 0.0003829800000000 ] - [ 0.0003637400000000, -0.0023029100000000, -0.0004330300000000 ] - [ -0.0003637400000000, -0.0023029100000000, -0.0004330300000000 ] - [ 0.0003637400000000, -0.0023029100000000, 0.0004330300000000 ] - [ -0.0003637400000000, -0.0023029100000000, 0.0004330300000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0006163100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004438500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0185281900000000, -0.0052210200000000 ] - [ 0.0000000000000000, 0.0083172000000000, 0.0016634000000000 ] - [ 0.0000000000000000, 0.0185281900000000, 0.0052210200000000 ] - [ 0.0000000000000000, 0.0083172000000000, -0.0016634000000000 ] - [ 0.0000000000000000, -0.0028702800000000, -0.0039682100000000 ] - [ 0.0000000000000000, -0.0016816300000000, -0.0016289300000000 ] - [ 0.0000000000000000, 0.1144021400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0200540100000000, 0.0000000000000000 ] - [ 0.0096965200000000, -0.0029318000000000, 0.0124890700000000 ] - [ -0.0096965200000000, -0.0029318000000000, 0.0124890700000000 ] - [ -0.0113365500000000, -0.0077649700000000, 0.0080084700000000 ] - [ 0.0113365500000000, -0.0077649700000000, 0.0080084700000000 ] - [ 0.0001770700000000, 0.0057665000000000, 0.0000000000000000 ] - [ -0.0001770700000000, 0.0057665000000000, 0.0000000000000000 ] - [ 0.0021093100000000, -0.0034101900000000, 0.0000000000000000 ] - [ -0.0021093100000000, -0.0034101900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028702800000000, 0.0039682100000000 ] - [ 0.0000000000000000, -0.0016816300000000, 0.0016289300000000 ] - [ -0.0113365500000000, -0.0077649700000000, -0.0080084700000000 ] - [ 0.0113365500000000, -0.0077649700000000, -0.0080084700000000 ] - [ 0.0096965200000000, -0.0029318000000000, -0.0124890700000000 ] - [ -0.0096965200000000, -0.0029318000000000, -0.0124890700000000 ] - [ 0.0001905400000000, -0.0034167600000000, 0.0000000000000000 ] - [ -0.0001905400000000, -0.0034167600000000, 0.0000000000000000 ] - [ 0.0000057700000000, -0.0029719500000000, -0.0004192400000000 ] - [ -0.0000057700000000, -0.0029719500000000, -0.0004192400000000 ] - [ 0.0000057700000000, -0.0029719500000000, 0.0004192400000000 ] - [ -0.0000057700000000, -0.0029719500000000, 0.0004192400000000 ] - [ -0.0000892300000000, -0.0030284600000000, 0.0002214000000000 ] - [ 0.0000892300000000, -0.0030284600000000, 0.0002214000000000 ] - [ 0.0000011000000000, -0.0037474800000000, 0.0000000000000000 ] - [ -0.0000011000000000, -0.0037474800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027048300000000, -0.0002493200000000 ] - [ 0.0000000000000000, -0.0027012300000000, -0.0002530900000000 ] - [ 0.0000000000000000, -0.0038972700000000, -0.0007578800000000 ] - [ 0.0000000000000000, -0.0036697800000000, -0.0006628500000000 ] - [ 0.0000000000000000, -0.0035533000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0035422100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040678000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0031524000000000, 0.0000000000000000 ] - [ -0.0000892300000000, -0.0030284600000000, -0.0002214000000000 ] - [ 0.0000892300000000, -0.0030284600000000, -0.0002214000000000 ] - [ 0.0000000000000000, -0.0038972700000000, 0.0007578800000000 ] - [ 0.0000000000000000, -0.0036697800000000, 0.0006628500000000 ] - [ 0.0000000000000000, -0.0027048300000000, 0.0002493200000000 ] - [ 0.0000000000000000, -0.0027012300000000, 0.0002530900000000 ] - [ 0.0000000000000000, -0.0185999000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014372700000000, 0.0000000000000000 ] - [ 0.0002830300000000, 0.0045178400000000, 0.0000000000000000 ] - [ -0.0002830300000000, 0.0045178400000000, 0.0000000000000000 ] - [ -0.0000007200000000, -0.0023384200000000, 0.0000000000000000 ] - [ 0.0000007200000000, -0.0023384200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006555300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006471800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0158901400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018224600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0085216600000000, -0.0065964000000000 ] - [ 0.0000000000000000, 0.0009166500000000, -0.0004455900000000 ] - [ 0.0010284300000000, -0.0039043800000000, 0.0028365000000000 ] - [ -0.0010284300000000, -0.0039043800000000, 0.0028365000000000 ] - [ 0.0010362600000000, -0.0067656900000000, 0.0000000000000000 ] - [ -0.0010362600000000, -0.0067656900000000, 0.0000000000000000 ] - [ 0.0010284300000000, -0.0039043800000000, -0.0028365000000000 ] - [ -0.0010284300000000, -0.0039043800000000, -0.0028365000000000 ] - [ 0.0000000000000000, 0.0085216600000000, 0.0065964000000000 ] - [ 0.0000000000000000, 0.0009166500000000, 0.0004455900000000 ] - [ 0.0000021500000000, 0.0031287100000000, 0.0000000000000000 ] - [ -0.0000021500000000, 0.0031287100000000, 0.0000000000000000 ] - [ -0.0000065200000000, 0.0023476200000000, 0.0000373700000000 ] - [ 0.0000065200000000, 0.0023476200000000, 0.0000373700000000 ] - [ 0.0000000000000000, 0.0020636400000000, -0.0005405400000000 ] - [ 0.0000000000000000, 0.0020373900000000, -0.0005237900000000 ] - [ 0.0000000000000000, 0.0021139600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021022000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020636400000000, 0.0005405400000000 ] - [ 0.0000000000000000, 0.0020373900000000, 0.0005237900000000 ] - [ -0.0000065200000000, 0.0023476200000000, -0.0000373700000000 ] - [ 0.0000065200000000, 0.0023476200000000, -0.0000373700000000 ] - [ -0.0005661000000000, -0.0006253200000000, 0.0017601100000000 ] - [ 0.0005661000000000, -0.0006253200000000, 0.0017601100000000 ] - [ 0.0000000000000000, -0.0051693000000000, 0.0036279000000000 ] - [ 0.0000000000000000, -0.0043607600000000, 0.0027622600000000 ] - [ 0.0000000000000000, 0.0026082600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017597400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0051693000000000, -0.0036279000000000 ] - [ 0.0000000000000000, -0.0043607600000000, -0.0027622600000000 ] - [ -0.0001465600000000, -0.0154935900000000, 0.0018201900000000 ] - [ 0.0001465600000000, -0.0154935900000000, 0.0018201900000000 ] - [ -0.0001465600000000, -0.0154935900000000, -0.0018201900000000 ] - [ 0.0001465600000000, -0.0154935900000000, -0.0018201900000000 ] - [ -0.0005661000000000, -0.0006253200000000, -0.0017601100000000 ] - [ 0.0005661000000000, -0.0006253200000000, -0.0017601100000000 ] - [ 0.0000000000000000, -0.0116342500000000, 0.0020380000000000 ] - [ 0.0000000000000000, -0.0077767300000000, 0.0008560000000000 ] - [ 0.0008973000000000, 0.0043087400000000, 0.0000000000000000 ] - [ -0.0008973000000000, 0.0043087400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0116342500000000, -0.0020380000000000 ] - [ 0.0000000000000000, -0.0077767300000000, -0.0008560000000000 ] - [ 0.0000000000000000, 0.0030830200000000, -0.0015750700000000 ] - [ 0.0000000000000000, 0.0032477900000000, -0.0016447000000000 ] - [ 0.0000000000000000, 0.0030830200000000, 0.0015750700000000 ] - [ 0.0000000000000000, 0.0032477900000000, 0.0016447000000000 ] - [ 0.0000000000000000, 0.0022615100000000, -0.0005180000000000 ] - [ 0.0000000000000000, 0.0022484600000000, -0.0005177400000000 ] - [ 0.0000012700000000, 0.0021335600000000, -0.0003262400000000 ] - [ -0.0000012700000000, 0.0021335600000000, -0.0003262400000000 ] - [ -0.0000620100000000, 0.0002487800000000, 0.0000000000000000 ] - [ 0.0000620100000000, 0.0002487800000000, 0.0000000000000000 ] - [ 0.0000012700000000, 0.0021335600000000, 0.0003262400000000 ] - [ -0.0000012700000000, 0.0021335600000000, 0.0003262400000000 ] - [ 0.0000000000000000, 0.0019537900000000, -0.0002998400000000 ] - [ 0.0000000000000000, 0.0019522100000000, -0.0002995700000000 ] - [ 0.0000000000000000, 0.0019537900000000, 0.0002998400000000 ] - [ 0.0000000000000000, 0.0019522100000000, 0.0002995700000000 ] - [ 0.0000000000000000, 0.0022615100000000, 0.0005180000000000 ] - [ 0.0000000000000000, 0.0022484600000000, 0.0005177400000000 ] - [ -0.0000146200000000, 0.0025871600000000, 0.0002344600000000 ] - [ 0.0000146200000000, 0.0025871600000000, 0.0002344600000000 ] - [ 0.0000000000000000, 0.0036425100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032136800000000, 0.0000000000000000 ] - [ -0.0000146200000000, 0.0025871600000000, -0.0002344600000000 ] - [ 0.0000146200000000, 0.0025871600000000, -0.0002344600000000 ] - [ -0.0003662400000000, 0.0023063500000000, 0.0004360800000000 ] - [ 0.0003662400000000, 0.0023063500000000, 0.0004360800000000 ] - [ -0.0003662400000000, 0.0023063500000000, -0.0004360800000000 ] - [ 0.0003662400000000, 0.0023063500000000, -0.0004360800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006464400000000, 0.0031821100000000 ] - [ 0.0000000000000000, -0.0006453800000000, 0.0026464800000000 ] - [ 0.0000000000000000, 0.0016834700000000, 0.0411577300000000 ] - [ 0.0000000000000000, 0.0021913000000000, 0.0101166000000000 ] - [ 0.0000000000000000, -0.0019951800000000, 0.0410190000000000 ] - [ 0.0000000000000000, -0.0025177100000000, 0.0104361400000000 ] - [ 0.0000000000000000, 0.0010617700000000, 0.0000503800000000 ] - [ 0.0000000000000000, 0.0009750000000000, 0.0000827000000000 ] - [ 0.0000000000000000, -0.0004467000000000, -0.1256125600000000 ] - [ 0.0000000000000000, -0.0000202300000000, -0.0288504700000000 ] - [ 0.0036478600000000, -0.0145949100000000, 0.0018372200000000 ] - [ -0.0036478600000000, -0.0145949100000000, 0.0018372200000000 ] - [ -0.0067005600000000, -0.0092852900000000, 0.0015097100000000 ] - [ 0.0067005600000000, -0.0092852900000000, 0.0015097100000000 ] - [ 0.0000097100000000, -0.0000165000000000, 0.0058193400000000 ] - [ -0.0000097100000000, -0.0000165000000000, 0.0058193400000000 ] - [ -0.0000067300000000, 0.0006636000000000, -0.0004837000000000 ] - [ 0.0000067300000000, 0.0006636000000000, -0.0004837000000000 ] - [ 0.0000000000000000, -0.0009148100000000, 0.0003974600000000 ] - [ 0.0000000000000000, -0.0008326100000000, 0.0004451500000000 ] - [ 0.0067114400000000, 0.0091587900000000, 0.0011094500000000 ] - [ -0.0067114400000000, 0.0091587900000000, 0.0011094500000000 ] - [ -0.0036351300000000, 0.0148396400000000, 0.0016081900000000 ] - [ 0.0036351300000000, 0.0148396400000000, 0.0016081900000000 ] - [ -0.0000000900000000, -0.0006526000000000, 0.0001506500000000 ] - [ 0.0000000900000000, -0.0006526000000000, 0.0001506500000000 ] - [ 0.0000005000000000, -0.0001336400000000, -0.0001159600000000 ] - [ -0.0000005000000000, -0.0001336400000000, -0.0001159600000000 ] - [ -0.0000000500000000, -0.0001670900000000, 0.0001681100000000 ] - [ 0.0000000500000000, -0.0001670900000000, 0.0001681100000000 ] - [ -0.0000441600000000, -0.0012025000000000, 0.0002790200000000 ] - [ 0.0000441600000000, -0.0012025000000000, 0.0002790200000000 ] - [ 0.0000005400000000, 0.0000009500000000, -0.0000794000000000 ] - [ -0.0000005400000000, 0.0000009500000000, -0.0000794000000000 ] - [ 0.0000000000000000, 0.0003604800000000, 0.0000053000000000 ] - [ 0.0000000000000000, 0.0003586700000000, 0.0000071300000000 ] - [ 0.0000000000000000, 0.0000762500000000, 0.0001317100000000 ] - [ 0.0000000000000000, 0.0000819800000000, 0.0001317200000000 ] - [ 0.0000000000000000, 0.0000085400000000, 0.0003563600000000 ] - [ 0.0000000000000000, 0.0000080500000000, 0.0003538100000000 ] - [ 0.0000000000000000, 0.0006584200000000, -0.0013474300000000 ] - [ 0.0000000000000000, 0.0006584800000000, -0.0011600100000000 ] - [ 0.0000434300000000, 0.0013546800000000, 0.0006430300000000 ] - [ -0.0000434300000000, 0.0013546800000000, 0.0006430300000000 ] - [ 0.0000000000000000, -0.0002076400000000, -0.0002402700000000 ] - [ 0.0000000000000000, -0.0002162100000000, -0.0002385800000000 ] - [ 0.0000000000000000, -0.0000458800000000, -0.0002793600000000 ] - [ 0.0000000000000000, -0.0000431100000000, -0.0002781700000000 ] - [ 0.0000000000000000, -0.0007594800000000, 0.0011744900000000 ] - [ 0.0000000000000000, -0.0007936800000000, -0.0009041500000000 ] - [ -0.0000051900000000, 0.0008034900000000, 0.0038583300000000 ] - [ 0.0000051900000000, 0.0008034900000000, 0.0038583300000000 ] - [ 0.0000000100000000, -0.0007945400000000, -0.0003317100000000 ] - [ -0.0000000100000000, -0.0007945400000000, -0.0003317100000000 ] - [ 0.0000000000000000, 0.0007987500000000, 0.0000492200000000 ] - [ 0.0000000000000000, 0.0007986300000000, 0.0000484100000000 ] - [ 0.0000000000000000, 0.0003534100000000, 0.0121147900000000 ] - [ 0.0000000000000000, 0.0004741200000000, 0.0053115000000000 ] - [ 0.0000000000000000, 0.0003789300000000, 0.0015621600000000 ] - [ 0.0000000000000000, 0.0007288200000000, 0.0014087100000000 ] - [ -0.0010934800000000, -0.0012171400000000, -0.0063010500000000 ] - [ 0.0010934800000000, -0.0012171400000000, -0.0063010500000000 ] - [ -0.0000257100000000, -0.0004672400000000, -0.0075014800000000 ] - [ 0.0000257100000000, -0.0004672400000000, -0.0075014800000000 ] - [ 0.0010801100000000, 0.0011014700000000, -0.0061011900000000 ] - [ -0.0010801100000000, 0.0011014700000000, -0.0061011900000000 ] - [ 0.0000000000000000, -0.0003207800000000, 0.0013119000000000 ] - [ 0.0000000000000000, -0.0006263500000000, 0.0012005900000000 ] - [ -0.0000000100000000, 0.0004685800000000, 0.0001905100000000 ] - [ 0.0000000100000000, 0.0004685800000000, 0.0001905100000000 ] - [ -0.0000013500000000, -0.0001553000000000, 0.0005901400000000 ] - [ 0.0000013500000000, -0.0001553000000000, 0.0005901400000000 ] - [ 0.0000000000000000, -0.0000335600000000, -0.0001657700000000 ] - [ 0.0000000000000000, -0.0000347500000000, -0.0001641600000000 ] - [ 0.0000000000000000, -0.0004731400000000, -0.0000430300000000 ] - [ 0.0000000000000000, -0.0004734600000000, -0.0000425700000000 ] - [ 0.0000000000000000, -0.0000704600000000, 0.0000371300000000 ] - [ 0.0000000000000000, -0.0000691800000000, 0.0000382600000000 ] - [ 0.0000015700000000, 0.0002521200000000, 0.0003849700000000 ] - [ -0.0000015700000000, 0.0002521200000000, 0.0003849700000000 ] - [ 0.0001328800000000, -0.0011009000000000, -0.0013822400000000 ] - [ -0.0001328800000000, -0.0011009000000000, -0.0013822400000000 ] - [ 0.0000000000000000, -0.0039106900000000, -0.0049124200000000 ] - [ 0.0000000000000000, -0.0023534100000000, -0.0037726700000000 ] - [ 0.0000000000000000, -0.0001864700000000, -0.0004594600000000 ] - [ 0.0000000000000000, -0.0001837200000000, -0.0004677400000000 ] - [ 0.0000000000000000, 0.0041917000000000, -0.0049501400000000 ] - [ 0.0000000000000000, 0.0025897700000000, -0.0037633800000000 ] - [ 0.0048369800000000, -0.0029529800000000, 0.0050701400000000 ] - [ -0.0048369800000000, -0.0029529800000000, 0.0050701400000000 ] - [ -0.0043513700000000, 0.0026515200000000, 0.0055131200000000 ] - [ 0.0043513700000000, 0.0026515200000000, 0.0055131200000000 ] - [ -0.0001327600000000, 0.0009836800000000, -0.0012221700000000 ] - [ 0.0001327600000000, 0.0009836800000000, -0.0012221700000000 ] - [ 0.0000000000000000, 0.0039530400000000, 0.0131263000000000 ] - [ 0.0000000000000000, -0.0005403100000000, 0.0022653900000000 ] - [ 0.0000000400000000, 0.0001816900000000, 0.0039601500000000 ] - [ -0.0000000400000000, 0.0001816900000000, 0.0039601500000000 ] - [ 0.0000000000000000, -0.0030832400000000, 0.0127863500000000 ] - [ 0.0000000000000000, 0.0006789400000000, 0.0023872900000000 ] - [ 0.0000000000000000, 0.0026096500000000, -0.0009519600000000 ] - [ 0.0000000000000000, 0.0028803000000000, -0.0010120300000000 ] - [ 0.0000000000000000, -0.0026095800000000, -0.0009471000000000 ] - [ 0.0000000000000000, -0.0028828900000000, -0.0010056600000000 ] - [ 0.0000000000000000, 0.0005337600000000, -0.0002764300000000 ] - [ 0.0000000000000000, 0.0005238000000000, -0.0002766900000000 ] - [ 0.0000002900000000, 0.0002029500000000, -0.0000334300000000 ] - [ -0.0000002900000000, 0.0002029500000000, -0.0000334300000000 ] - [ 0.0000009600000000, -0.0001896500000000, -0.0009906500000000 ] - [ -0.0000009600000000, -0.0001896500000000, -0.0009906500000000 ] - [ -0.0000003400000000, 0.0000167600000000, -0.0000545000000000 ] - [ 0.0000003400000000, 0.0000167600000000, -0.0000545000000000 ] - [ 0.0000000000000000, -0.0000761500000000, 0.0000183300000000 ] - [ 0.0000000000000000, -0.0000763600000000, 0.0000182900000000 ] - [ 0.0000000000000000, -0.0001506600000000, 0.0000383400000000 ] - [ 0.0000000000000000, -0.0001503400000000, 0.0000382700000000 ] - [ 0.0000000000000000, -0.0006704100000000, -0.0001292800000000 ] - [ 0.0000000000000000, -0.0006607800000000, -0.0001294900000000 ] - [ -0.0000007400000000, 0.0001249500000000, -0.0000418800000000 ] - [ 0.0000007400000000, 0.0001249500000000, -0.0000418800000000 ] - [ 0.0000000000000000, 0.0001790800000000, 0.0000863500000000 ] - [ 0.0000000000000000, 0.0001800300000000, 0.0001177700000000 ] - [ 0.0000005700000000, 0.0000025500000000, 0.0001061700000000 ] - [ -0.0000005700000000, 0.0000025500000000, 0.0001061700000000 ] - [ -0.0000096100000000, -0.0003167500000000, 0.0000995500000000 ] - [ 0.0000096100000000, -0.0003167500000000, 0.0000995500000000 ] - [ 0.0000120400000000, 0.0003129300000000, 0.0001022900000000 ] - [ -0.0000120400000000, 0.0003129300000000, 0.0001022900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000186800000000, -0.0006446400000000, 0.0000000000000000 ] - [ -0.0000200700000000, -0.0006448900000000, 0.0000000000000000 ] - [ 0.0002941100000000, -0.0001580800000000, -0.0001436700000000 ] - [ -0.0002843400000000, -0.0001560700000000, -0.0001417100000000 ] - [ 0.0002941100000000, -0.0001580800000000, 0.0001436700000000 ] - [ -0.0002843400000000, -0.0001560700000000, 0.0001417100000000 ] - [ 0.0002199200000000, 0.0000534000000000, -0.0002123400000000 ] - [ -0.0010376900000000, 0.0000589200000000, -0.0001933900000000 ] - [ 0.0005252000000000, 0.0000286400000000, 0.0000000000000000 ] - [ -0.0007832200000000, 0.0000095700000000, 0.0000000000000000 ] - [ 0.0070252800000000, 0.0068771400000000, 0.0114328600000000 ] - [ 0.0069720900000000, -0.0064506900000000, -0.0109431900000000 ] - [ 0.0000043500000000, -0.0000970500000000, 0.0001840300000000 ] - [ 0.0000072900000000, -0.0000313400000000, 0.0001965400000000 ] - [ 0.0000168300000000, -0.0002848400000000, 0.0000000000000000 ] - [ 0.0000235600000000, 0.0002810600000000, 0.0000000000000000 ] - [ 0.0059633400000000, -0.0116391500000000, 0.0000000000000000 ] - [ 0.0059246100000000, 0.0127151100000000, 0.0000000000000000 ] - [ 0.0002199200000000, 0.0000534000000000, 0.0002123400000000 ] - [ -0.0010376900000000, 0.0000589200000000, 0.0001933900000000 ] - [ 0.0000043500000000, -0.0000970500000000, -0.0001840300000000 ] - [ 0.0000072900000000, -0.0000313400000000, -0.0001965400000000 ] - [ 0.0070252800000000, 0.0068771400000000, -0.0114328600000000 ] - [ 0.0069720900000000, -0.0064506900000000, 0.0109431900000000 ] - [ 0.0000100000000000, -0.0005623500000000, 0.0000000000000000 ] - [ 0.0000164800000000, -0.0007249500000000, 0.0000000000000000 ] - [ 0.0000006500000000, -0.0001537600000000, -0.0001431300000000 ] - [ 0.0000007100000000, -0.0001602100000000, -0.0001405600000000 ] - [ 0.0000006500000000, -0.0001537600000000, 0.0001431300000000 ] - [ 0.0000007100000000, -0.0001602100000000, 0.0001405600000000 ] - [ -0.0000000200000000, 0.0000645400000000, -0.0001891400000000 ] - [ 0.0000002800000000, 0.0000661200000000, -0.0001891500000000 ] - [ -0.0000005200000000, 0.0000018000000000, 0.0000000000000000 ] - [ 0.0000003300000000, 0.0000032200000000, 0.0000000000000000 ] - [ -0.0000000600000000, 0.0001582300000000, 0.0001422700000000 ] - [ 0.0000000700000000, 0.0001579400000000, 0.0001422300000000 ] - [ 0.0002239600000000, -0.0000626500000000, 0.0001882400000000 ] - [ -0.0002333900000000, -0.0000653800000000, 0.0001878100000000 ] - [ -0.0000008900000000, -0.0000007000000000, 0.0000000000000000 ] - [ 0.0000014600000000, -0.0000008100000000, 0.0000000000000000 ] - [ 0.0000027200000000, 0.0006459500000000, 0.0000000000000000 ] - [ -0.0000030900000000, 0.0006459000000000, 0.0000000000000000 ] - [ -0.0000000200000000, 0.0000645400000000, 0.0001891400000000 ] - [ 0.0000002800000000, 0.0000661200000000, 0.0001891500000000 ] - [ 0.0002239600000000, -0.0000626500000000, -0.0001882400000000 ] - [ -0.0002333900000000, -0.0000653800000000, -0.0001878100000000 ] - [ -0.0000000600000000, 0.0001582300000000, -0.0001422700000000 ] - [ 0.0000000700000000, 0.0001579400000000, -0.0001422300000000 ] - [ -0.1852985900000000, -0.0008050200000000, 0.0000000000000000 ] - [ -0.0015383500000000, -0.0007994400000000, 0.0000000000000000 ] - [ 0.0000002600000000, 0.0008204000000000, 0.0000000000000000 ] - [ 0.0000000500000000, 0.0007740700000000, 0.0000000000000000 ] - [ -0.0000000300000000, -0.0007958600000000, 0.0000000000000000 ] - [ -0.0000000400000000, -0.0007959600000000, 0.0000000000000000 ] - [ -0.0000095500000000, 0.0007965000000000, 0.0000000000000000 ] - [ 0.0000182200000000, 0.0007965700000000, 0.0000000000000000 ] - [ 0.0461960700000000, 0.0001163400000000, 0.0000000000000000 ] - [ 0.0004732500000000, 0.0004739000000000, 0.0000000000000000 ] - [ 0.0475926500000000, 0.0002273500000000, -0.0002023300000000 ] - [ 0.0008829100000000, 0.0000518300000000, 0.0001016900000000 ] - [ 0.0000019000000000, -0.0000444100000000, -0.0000772500000000 ] - [ 0.0000013700000000, -0.0000625700000000, -0.0001164100000000 ] - [ 0.0000142300000000, -0.0004548000000000, 0.0000000000000000 ] - [ 0.0000127500000000, -0.0004824800000000, 0.0000000000000000 ] - [ 0.0000019000000000, -0.0000444100000000, 0.0000772500000000 ] - [ 0.0000013700000000, -0.0000625700000000, 0.0001164100000000 ] - [ 0.0475926500000000, 0.0002273500000000, 0.0002023300000000 ] - [ 0.0008829100000000, 0.0000518300000000, -0.0001016900000000 ] - [ -0.0000000300000000, 0.0004656100000000, 0.0000000000000000 ] - [ -0.0000000500000000, 0.0004688500000000, 0.0000000000000000 ] - [ 0.0000000400000000, 0.0000525200000000, 0.0000963000000000 ] - [ 0.0000000000000000, 0.0000512100000000, 0.0000988200000000 ] - [ -0.0000505000000000, -0.0000537900000000, -0.0000971600000000 ] - [ 0.0000699500000000, -0.0000524600000000, -0.0000987500000000 ] - [ 0.0000076300000000, -0.0004673700000000, 0.0000000000000000 ] - [ -0.0000115300000000, -0.0004689500000000, 0.0000000000000000 ] - [ -0.0000505000000000, -0.0000537900000000, 0.0000971600000000 ] - [ 0.0000699500000000, -0.0000524600000000, 0.0000987500000000 ] - [ 0.0000000400000000, 0.0000525200000000, -0.0000963000000000 ] - [ 0.0000000000000000, 0.0000512100000000, -0.0000988200000000 ] - [ -0.0000233900000000, -0.0003992900000000, -0.0005776000000000 ] - [ -0.0000346900000000, 0.0002779000000000, 0.0004368900000000 ] - [ -0.0004189800000000, 0.0001125100000000, 0.0000099600000000 ] - [ 0.0013543500000000, 0.0001106000000000, 0.0000136200000000 ] - [ 0.0006495000000000, -0.0001980500000000, 0.0000000000000000 ] - [ 0.0001387800000000, -0.0001808300000000, 0.0000000000000000 ] - [ -0.0004189800000000, 0.0001125100000000, -0.0000099600000000 ] - [ 0.0013543500000000, 0.0001106000000000, -0.0000136200000000 ] - [ 0.0000898300000000, 0.0005205200000000, -0.0003530000000000 ] - [ 0.0000808700000000, -0.0007506000000000, 0.0003329500000000 ] - [ 0.0000898300000000, 0.0005205200000000, 0.0003530000000000 ] - [ 0.0000808700000000, -0.0007506000000000, -0.0003329500000000 ] - [ -0.0000233900000000, -0.0003992900000000, 0.0005776000000000 ] - [ -0.0000346900000000, 0.0002779000000000, -0.0004368900000000 ] - [ 0.0001570900000000, 0.0000672500000000, -0.0000685100000000 ] - [ 0.0000822600000000, 0.0000623900000000, -0.0000748100000000 ] - [ 0.0000009900000000, 0.0001907000000000, 0.0000000000000000 ] - [ 0.0000007500000000, 0.0001768400000000, 0.0000000000000000 ] - [ 0.0001570900000000, 0.0000672500000000, 0.0000685100000000 ] - [ 0.0000822600000000, 0.0000623900000000, 0.0000748100000000 ] - [ -0.0000024100000000, -0.0000004300000000, -0.0000000700000000 ] - [ 0.0000048800000000, -0.0000004300000000, -0.0000001000000000 ] - [ -0.0000024100000000, -0.0000004300000000, 0.0000000700000000 ] - [ 0.0000048800000000, -0.0000004300000000, 0.0000001000000000 ] - [ 0.0000003600000000, -0.0000650600000000, -0.0000742000000000 ] - [ -0.0000003300000000, -0.0000650000000000, -0.0000742100000000 ] - [ -0.0000002500000000, 0.0001127800000000, 0.0000124800000000 ] - [ -0.0000002900000000, 0.0001101900000000, 0.0000105800000000 ] - [ -0.0000000700000000, -0.0001838600000000, 0.0000000000000000 ] - [ -0.0000000100000000, -0.0001857600000000, 0.0000000000000000 ] - [ -0.0000002500000000, 0.0001127800000000, -0.0000124800000000 ] - [ -0.0000002900000000, 0.0001101900000000, -0.0000105800000000 ] - [ 0.0000010400000000, -0.0001121100000000, -0.0000114200000000 ] - [ -0.0000007000000000, -0.0001121700000000, -0.0000113200000000 ] - [ 0.0000010400000000, -0.0001121100000000, 0.0000114200000000 ] - [ -0.0000007000000000, -0.0001121700000000, 0.0000113200000000 ] - [ 0.0000003600000000, -0.0000650600000000, 0.0000742000000000 ] - [ -0.0000003300000000, -0.0000650000000000, 0.0000742100000000 ] - [ -0.0000020000000000, 0.0000682500000000, -0.0000816400000000 ] - [ -0.0000023000000000, 0.0000608500000000, -0.0000672200000000 ] - [ -0.0005650600000000, 0.0001869100000000, 0.0000000000000000 ] - [ 0.0017314900000000, 0.0001884500000000, 0.0000000000000000 ] - [ -0.0000020000000000, 0.0000682500000000, 0.0000816400000000 ] - [ -0.0000023000000000, 0.0000608500000000, 0.0000672200000000 ] - [ 0.0001366000000000, -0.0004073300000000, -0.0003737900000000 ] - [ 0.0001284700000000, 0.0004055900000000, 0.0003751400000000 ] - [ 0.0001366000000000, -0.0004073300000000, 0.0003737900000000 ] - [ 0.0001284700000000, 0.0004055900000000, -0.0003751400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0004139700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004043000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000042200000000, 0.0019522300000000 ] - [ 0.0000000000000000, -0.0000617100000000, 0.0012127500000000 ] - [ 0.0000000000000000, 0.0000042200000000, -0.0019522300000000 ] - [ 0.0000000000000000, -0.0000617100000000, -0.0012127500000000 ] - [ 0.0000000000000000, 0.0013109400000000, 0.0093647900000000 ] - [ 0.0000000000000000, -0.0015887000000000, 0.0002183800000000 ] - [ 0.0000000000000000, 0.0177789100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006538100000000, 0.0000000000000000 ] - [ 0.0074428300000000, -0.0103546900000000, 0.0139271900000000 ] - [ -0.0074428300000000, -0.0103546900000000, 0.0139271900000000 ] - [ 0.0002764900000000, 0.0015696700000000, 0.0000971800000000 ] - [ -0.0002764900000000, 0.0015696700000000, 0.0000971800000000 ] - [ -0.0002294700000000, -0.0037286600000000, 0.0000000000000000 ] - [ 0.0002294700000000, -0.0037286600000000, 0.0000000000000000 ] - [ -0.0144128800000000, 0.0145063200000000, 0.0000000000000000 ] - [ 0.0144128800000000, 0.0145063200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013109400000000, -0.0093647900000000 ] - [ 0.0000000000000000, -0.0015887000000000, -0.0002183800000000 ] - [ 0.0002764900000000, 0.0015696700000000, -0.0000971800000000 ] - [ -0.0002764900000000, 0.0015696700000000, -0.0000971800000000 ] - [ 0.0074428300000000, -0.0103546900000000, -0.0139271900000000 ] - [ -0.0074428300000000, -0.0103546900000000, -0.0139271900000000 ] - [ -0.0004059300000000, 0.0000627400000000, 0.0000000000000000 ] - [ 0.0004059300000000, 0.0000627400000000, 0.0000000000000000 ] - [ -0.0000105200000000, 0.0009660700000000, -0.0000804900000000 ] - [ 0.0000105200000000, 0.0009660700000000, -0.0000804900000000 ] - [ -0.0000105200000000, 0.0009660700000000, 0.0000804900000000 ] - [ 0.0000105200000000, 0.0009660700000000, 0.0000804900000000 ] - [ 0.0000031400000000, 0.0014752900000000, 0.0000185000000000 ] - [ -0.0000031400000000, 0.0014752900000000, 0.0000185000000000 ] - [ -0.0000021200000000, 0.0015439500000000, 0.0000000000000000 ] - [ 0.0000021200000000, 0.0015439500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012919800000000, 0.0002546600000000 ] - [ 0.0000000000000000, 0.0012908500000000, 0.0002545900000000 ] - [ 0.0000000000000000, 0.0016180000000000, 0.0009397800000000 ] - [ 0.0000000000000000, 0.0014215700000000, 0.0009727500000000 ] - [ 0.0000000000000000, 0.0014608200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014515600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019387000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019207700000000, 0.0000000000000000 ] - [ 0.0000031400000000, 0.0014752900000000, -0.0000185000000000 ] - [ -0.0000031400000000, 0.0014752900000000, -0.0000185000000000 ] - [ 0.0000000000000000, 0.0016180000000000, -0.0009397800000000 ] - [ 0.0000000000000000, 0.0014215700000000, -0.0009727500000000 ] - [ 0.0000000000000000, 0.0012919800000000, -0.0002546600000000 ] - [ 0.0000000000000000, 0.0012908500000000, -0.0002545900000000 ] - [ 0.0000000000000000, -0.3643884400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0062437200000000, 0.0000000000000000 ] - [ 0.0000232600000000, 0.0007896100000000, 0.0000000000000000 ] - [ -0.0000232600000000, 0.0007896100000000, 0.0000000000000000 ] - [ -0.0000001500000000, -0.0002026500000000, 0.0000000000000000 ] - [ 0.0000001500000000, -0.0002026500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013506500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013463900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1830755700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0052068400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0803983700000000, -0.0493758800000000 ] - [ 0.0000000000000000, 0.0051541200000000, 0.0001673900000000 ] - [ -0.0000148900000000, -0.0005083500000000, -0.0003049600000000 ] - [ 0.0000148900000000, -0.0005083500000000, -0.0003049600000000 ] - [ 0.0001056300000000, 0.0002596800000000, 0.0000000000000000 ] - [ -0.0001056300000000, 0.0002596800000000, 0.0000000000000000 ] - [ -0.0000148900000000, -0.0005083500000000, 0.0003049600000000 ] - [ 0.0000148900000000, -0.0005083500000000, 0.0003049600000000 ] - [ 0.0000000000000000, 0.0803983700000000, 0.0493758800000000 ] - [ 0.0000000000000000, 0.0051541200000000, -0.0001673900000000 ] - [ 0.0000001300000000, -0.0005865900000000, 0.0000000000000000 ] - [ -0.0000001300000000, -0.0005865900000000, 0.0000000000000000 ] - [ -0.0000002600000000, -0.0008084500000000, 0.0002308300000000 ] - [ 0.0000002600000000, -0.0008084500000000, 0.0002308300000000 ] - [ 0.0000000000000000, -0.0008637500000000, 0.0002001600000000 ] - [ 0.0000000000000000, -0.0008055700000000, 0.0001758800000000 ] - [ 0.0000000000000000, -0.0014920300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014629300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008637500000000, -0.0002001600000000 ] - [ 0.0000000000000000, -0.0008055700000000, -0.0001758800000000 ] - [ -0.0000002600000000, -0.0008084500000000, -0.0002308300000000 ] - [ 0.0000002600000000, -0.0008084500000000, -0.0002308300000000 ] - [ 0.0017739700000000, 0.0039815900000000, -0.0007881100000000 ] - [ -0.0017739700000000, 0.0039815900000000, -0.0007881100000000 ] - [ 0.0000000000000000, 0.0022737000000000, 0.0012025300000000 ] - [ 0.0000000000000000, 0.0008708200000000, 0.0012696800000000 ] - [ 0.0000000000000000, -0.0009075900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001295300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022737000000000, -0.0012025300000000 ] - [ 0.0000000000000000, 0.0008708200000000, -0.0012696800000000 ] - [ -0.0024427100000000, -0.0004171500000000, 0.0030003300000000 ] - [ 0.0024427100000000, -0.0004171500000000, 0.0030003300000000 ] - [ -0.0024427100000000, -0.0004171500000000, -0.0030003300000000 ] - [ 0.0024427100000000, -0.0004171500000000, -0.0030003300000000 ] - [ 0.0017739700000000, 0.0039815900000000, 0.0007881100000000 ] - [ -0.0017739700000000, 0.0039815900000000, 0.0007881100000000 ] - [ 0.0000000000000000, -0.0021129200000000, -0.0017129700000000 ] - [ 0.0000000000000000, -0.0009296000000000, -0.0003532600000000 ] - [ -0.0000176000000000, -0.0009380700000000, 0.0000000000000000 ] - [ 0.0000176000000000, -0.0009380700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021129200000000, 0.0017129700000000 ] - [ 0.0000000000000000, -0.0009296000000000, 0.0003532600000000 ] - [ 0.0000000000000000, -0.0010442300000000, 0.0001034700000000 ] - [ 0.0000000000000000, -0.0010452100000000, 0.0001169100000000 ] - [ 0.0000000000000000, -0.0010442300000000, -0.0001034700000000 ] - [ 0.0000000000000000, -0.0010452100000000, -0.0001169100000000 ] - [ 0.0000000000000000, -0.0010477000000000, 0.0000614200000000 ] - [ 0.0000000000000000, -0.0010462800000000, 0.0000602100000000 ] - [ 0.0000015100000000, -0.0006973300000000, 0.0001241000000000 ] - [ -0.0000015100000000, -0.0006973300000000, 0.0001241000000000 ] - [ -0.0000014800000000, -0.0011369900000000, 0.0000000000000000 ] - [ 0.0000014800000000, -0.0011369900000000, 0.0000000000000000 ] - [ 0.0000015100000000, -0.0006973300000000, -0.0001241000000000 ] - [ -0.0000015100000000, -0.0006973300000000, -0.0001241000000000 ] - [ 0.0000000000000000, -0.0009404000000000, 0.0000817800000000 ] - [ 0.0000000000000000, -0.0009393200000000, 0.0000821300000000 ] - [ 0.0000000000000000, -0.0009404000000000, -0.0000817800000000 ] - [ 0.0000000000000000, -0.0009393200000000, -0.0000821300000000 ] - [ 0.0000000000000000, -0.0010477000000000, -0.0000614200000000 ] - [ 0.0000000000000000, -0.0010462800000000, -0.0000602100000000 ] - [ 0.0000016800000000, -0.0010048200000000, -0.0001447500000000 ] - [ -0.0000016800000000, -0.0010048200000000, -0.0001447500000000 ] - [ 0.0000000000000000, -0.0023943000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021455000000000, 0.0000000000000000 ] - [ 0.0000016800000000, -0.0010048200000000, 0.0001447500000000 ] - [ -0.0000016800000000, -0.0010048200000000, 0.0001447500000000 ] - [ 0.0006609200000000, -0.0006154300000000, -0.0005269700000000 ] - [ -0.0006609200000000, -0.0006154300000000, -0.0005269700000000 ] - [ 0.0006609200000000, -0.0006154300000000, 0.0005269700000000 ] - [ -0.0006609200000000, -0.0006154300000000, 0.0005269700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0017143900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017048700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003080000000000, -0.0022339500000000 ] - [ 0.0000000000000000, -0.0002471200000000, -0.0014932200000000 ] - [ 0.0000000000000000, -0.0003080000000000, 0.0022339500000000 ] - [ 0.0000000000000000, -0.0002471200000000, 0.0014932200000000 ] - [ 0.0000000000000000, -0.0012007800000000, -0.0098108200000000 ] - [ 0.0000000000000000, 0.0017182100000000, -0.0005917200000000 ] - [ 0.0000000000000000, -0.0175253600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006417900000000, 0.0000000000000000 ] - [ -0.0074360400000000, 0.0105516900000000, -0.0136035900000000 ] - [ 0.0074360400000000, 0.0105516900000000, -0.0136035900000000 ] - [ -0.0002793600000000, -0.0017048800000000, 0.0002733500000000 ] - [ 0.0002793600000000, -0.0017048800000000, 0.0002733500000000 ] - [ 0.0002271300000000, 0.0037132100000000, 0.0000000000000000 ] - [ -0.0002271300000000, 0.0037132100000000, 0.0000000000000000 ] - [ 0.0146885300000000, -0.0134317000000000, 0.0000000000000000 ] - [ -0.0146885300000000, -0.0134317000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012007800000000, 0.0098108200000000 ] - [ 0.0000000000000000, 0.0017182100000000, 0.0005917200000000 ] - [ -0.0002793600000000, -0.0017048800000000, -0.0002733500000000 ] - [ 0.0002793600000000, -0.0017048800000000, -0.0002733500000000 ] - [ -0.0074360400000000, 0.0105516900000000, 0.0136035900000000 ] - [ 0.0074360400000000, 0.0105516900000000, 0.0136035900000000 ] - [ 0.0004004900000000, -0.0013608100000000, 0.0000000000000000 ] - [ -0.0004004900000000, -0.0013608100000000, 0.0000000000000000 ] - [ 0.0000112000000000, -0.0012755000000000, -0.0002061700000000 ] - [ -0.0000112000000000, -0.0012755000000000, -0.0002061700000000 ] - [ 0.0000112000000000, -0.0012755000000000, 0.0002061700000000 ] - [ -0.0000112000000000, -0.0012755000000000, 0.0002061700000000 ] - [ -0.0000035300000000, -0.0013285200000000, -0.0003865300000000 ] - [ 0.0000035300000000, -0.0013285200000000, -0.0003865300000000 ] - [ 0.0000016800000000, -0.0015417400000000, 0.0000000000000000 ] - [ -0.0000016800000000, -0.0015417400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009746100000000, 0.0000332500000000 ] - [ 0.0000000000000000, -0.0009733200000000, 0.0000341700000000 ] - [ 0.0000000000000000, -0.0017569500000000, -0.0005788800000000 ] - [ 0.0000000000000000, -0.0015582300000000, -0.0006049800000000 ] - [ 0.0000000000000000, -0.0014526300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014437100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006283200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006111300000000, 0.0000000000000000 ] - [ -0.0000035300000000, -0.0013285200000000, 0.0003865300000000 ] - [ 0.0000035300000000, -0.0013285200000000, 0.0003865300000000 ] - [ 0.0000000000000000, -0.0017569500000000, 0.0005788800000000 ] - [ 0.0000000000000000, -0.0015582300000000, 0.0006049800000000 ] - [ 0.0000000000000000, -0.0009746100000000, -0.0000332500000000 ] - [ 0.0000000000000000, -0.0009733200000000, -0.0000341700000000 ] - [ 0.0000000000000000, 0.3511469700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0046260400000000, 0.0000000000000000 ] - [ -0.0000230700000000, 0.0008061300000000, 0.0000000000000000 ] - [ 0.0000230700000000, 0.0008061300000000, 0.0000000000000000 ] - [ 0.0000001400000000, -0.0013891700000000, 0.0000000000000000 ] - [ -0.0000001400000000, -0.0013891700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002452900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002497900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1679583000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0042606700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0812129200000000, 0.0521546800000000 ] - [ 0.0000000000000000, -0.0050187600000000, 0.0000125500000000 ] - [ 0.0000155400000000, 0.0003947200000000, 0.0001160300000000 ] - [ -0.0000155400000000, 0.0003947200000000, 0.0001160300000000 ] - [ -0.0001044900000000, -0.0011876200000000, 0.0000000000000000 ] - [ 0.0001044900000000, -0.0011876200000000, 0.0000000000000000 ] - [ 0.0000155400000000, 0.0003947200000000, -0.0001160300000000 ] - [ -0.0000155400000000, 0.0003947200000000, -0.0001160300000000 ] - [ 0.0000000000000000, -0.0812129200000000, -0.0521546800000000 ] - [ 0.0000000000000000, -0.0050187600000000, -0.0000125500000000 ] - [ -0.0000001700000000, 0.0015108000000000, 0.0000000000000000 ] - [ 0.0000001700000000, 0.0015108000000000, 0.0000000000000000 ] - [ 0.0000003300000000, 0.0009152200000000, -0.0000415800000000 ] - [ -0.0000003300000000, 0.0009152200000000, -0.0000415800000000 ] - [ 0.0000000000000000, 0.0007497300000000, -0.0003911400000000 ] - [ 0.0000000000000000, 0.0006920700000000, -0.0003652700000000 ] - [ 0.0000000000000000, 0.0005598900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005309000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007497300000000, 0.0003911400000000 ] - [ 0.0000000000000000, 0.0006920700000000, 0.0003652700000000 ] - [ 0.0000003300000000, 0.0009152200000000, 0.0000415800000000 ] - [ -0.0000003300000000, 0.0009152200000000, 0.0000415800000000 ] - [ -0.0017613200000000, -0.0040787300000000, 0.0006417000000000 ] - [ 0.0017613200000000, -0.0040787300000000, 0.0006417000000000 ] - [ 0.0000000000000000, -0.0020508700000000, -0.0011631400000000 ] - [ 0.0000000000000000, -0.0006553300000000, -0.0012210900000000 ] - [ 0.0000000000000000, 0.0005075100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004917300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020508700000000, 0.0011631400000000 ] - [ 0.0000000000000000, -0.0006553300000000, 0.0012210900000000 ] - [ 0.0024379100000000, 0.0001767000000000, -0.0030168100000000 ] - [ -0.0024379100000000, 0.0001767000000000, -0.0030168100000000 ] - [ 0.0024379100000000, 0.0001767000000000, 0.0030168100000000 ] - [ -0.0024379100000000, 0.0001767000000000, 0.0030168100000000 ] - [ -0.0017613200000000, -0.0040787300000000, -0.0006417000000000 ] - [ 0.0017613200000000, -0.0040787300000000, -0.0006417000000000 ] - [ 0.0000000000000000, 0.0022401400000000, 0.0015767300000000 ] - [ 0.0000000000000000, 0.0010497200000000, 0.0001995100000000 ] - [ 0.0000179000000000, 0.0013002300000000, 0.0000000000000000 ] - [ -0.0000179000000000, 0.0013002300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022401400000000, -0.0015767300000000 ] - [ 0.0000000000000000, 0.0010497200000000, -0.0001995100000000 ] - [ 0.0000000000000000, 0.0010405600000000, -0.0001034600000000 ] - [ 0.0000000000000000, 0.0010414600000000, -0.0001169700000000 ] - [ 0.0000000000000000, 0.0010405600000000, 0.0001034600000000 ] - [ 0.0000000000000000, 0.0010414600000000, 0.0001169700000000 ] - [ 0.0000000000000000, 0.0009157000000000, -0.0002134400000000 ] - [ 0.0000000000000000, 0.0009140100000000, -0.0002121200000000 ] - [ -0.0000015700000000, 0.0009152100000000, -0.0001013100000000 ] - [ 0.0000015700000000, 0.0009152100000000, -0.0001013100000000 ] - [ 0.0000015600000000, 0.0007667900000000, 0.0000000000000000 ] - [ -0.0000015600000000, 0.0007667900000000, 0.0000000000000000 ] - [ -0.0000015700000000, 0.0009152100000000, 0.0001013100000000 ] - [ 0.0000015700000000, 0.0009152100000000, 0.0001013100000000 ] - [ 0.0000000000000000, 0.0007164400000000, -0.0001035700000000 ] - [ 0.0000000000000000, 0.0007155000000000, -0.0001038300000000 ] - [ 0.0000000000000000, 0.0007164400000000, 0.0001035700000000 ] - [ 0.0000000000000000, 0.0007155000000000, 0.0001038300000000 ] - [ 0.0000000000000000, 0.0009157000000000, 0.0002134400000000 ] - [ 0.0000000000000000, 0.0009140100000000, 0.0002121200000000 ] - [ -0.0000027000000000, 0.0011307700000000, -0.0000087300000000 ] - [ 0.0000027000000000, 0.0011307700000000, -0.0000087300000000 ] - [ 0.0000000000000000, 0.0027868400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025106300000000, 0.0000000000000000 ] - [ -0.0000027000000000, 0.0011307700000000, 0.0000087300000000 ] - [ 0.0000027000000000, 0.0011307700000000, 0.0000087300000000 ] - [ -0.0006554000000000, 0.0006092100000000, 0.0005287900000000 ] - [ 0.0006554000000000, 0.0006092100000000, 0.0005287900000000 ] - [ -0.0006554000000000, 0.0006092100000000, -0.0005287900000000 ] - [ 0.0006554000000000, 0.0006092100000000, -0.0005287900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006482500000000, 0.0001072500000000 ] - [ 0.0000000000000000, -0.0006483800000000, 0.0000890200000000 ] - [ 0.0000000000000000, 0.0004152700000000, -0.0001841700000000 ] - [ 0.0000000000000000, 0.0006200800000000, 0.0000861800000000 ] - [ 0.0000000000000000, -0.0007231200000000, 0.0001081000000000 ] - [ 0.0000000000000000, -0.0009349000000000, 0.0003739100000000 ] - [ 0.0000000000000000, 0.0089469300000000, 0.0158151500000000 ] - [ 0.0000000000000000, 0.0016832300000000, 0.0014247200000000 ] - [ 0.0000000000000000, 0.0000017100000000, 0.0011722800000000 ] - [ 0.0000000000000000, 0.0000021900000000, -0.0009071300000000 ] - [ 0.0120041400000000, 0.0146570600000000, 0.0071258700000000 ] - [ -0.0120041400000000, 0.0146570600000000, 0.0071258700000000 ] - [ -0.0000740700000000, -0.0002470300000000, 0.0001713200000000 ] - [ 0.0000740700000000, -0.0002470300000000, 0.0001713200000000 ] - [ 0.0000016700000000, 0.0000011800000000, 0.0038578900000000 ] - [ -0.0000016700000000, 0.0000011800000000, 0.0038578900000000 ] - [ -0.0000463800000000, 0.0007178300000000, -0.0140040900000000 ] - [ 0.0000463800000000, 0.0007178300000000, -0.0140040900000000 ] - [ 0.0000000000000000, -0.0089170500000000, 0.0163978800000000 ] - [ 0.0000000000000000, -0.0015661700000000, 0.0018105200000000 ] - [ 0.0000708300000000, 0.0001227000000000, -0.0002052100000000 ] - [ -0.0000708300000000, 0.0001227000000000, -0.0002052100000000 ] - [ -0.0118154900000000, -0.0141669300000000, 0.0067693100000000 ] - [ 0.0118154900000000, -0.0141669300000000, 0.0067693100000000 ] - [ -0.0000046000000000, -0.0006430900000000, 0.0012943300000000 ] - [ 0.0000046000000000, -0.0006430900000000, 0.0012943300000000 ] - [ -0.0000158400000000, -0.0003590000000000, -0.0000144200000000 ] - [ 0.0000158400000000, -0.0003590000000000, -0.0000144200000000 ] - [ 0.0000153400000000, 0.0000426200000000, 0.0002671800000000 ] - [ -0.0000153400000000, 0.0000426200000000, 0.0002671800000000 ] - [ -0.0000013800000000, 0.0000297200000000, -0.0001739100000000 ] - [ 0.0000013800000000, 0.0000297200000000, -0.0001739100000000 ] - [ -0.0000010300000000, -0.0000008700000000, -0.0003316100000000 ] - [ 0.0000010300000000, -0.0000008700000000, -0.0003316100000000 ] - [ 0.0000000000000000, 0.0001232900000000, 0.0001294500000000 ] - [ 0.0000000000000000, 0.0001217100000000, 0.0001294800000000 ] - [ 0.0000000000000000, 0.0018337700000000, -0.0001652800000000 ] - [ 0.0000000000000000, 0.0012190300000000, -0.0003115000000000 ] - [ 0.0000000000000000, -0.0000032800000000, 0.0000483400000000 ] - [ 0.0000000000000000, -0.0000030300000000, 0.0000478400000000 ] - [ 0.0000000000000000, 0.0006448200000000, -0.0000364900000000 ] - [ 0.0000000000000000, 0.0006448300000000, -0.0000339900000000 ] - [ 0.0000000500000000, 0.0000841500000000, 0.0002004200000000 ] - [ -0.0000000500000000, 0.0000841500000000, 0.0002004200000000 ] - [ 0.0000000000000000, -0.0019633000000000, -0.0005221600000000 ] - [ 0.0000000000000000, -0.0013482000000000, -0.0006717700000000 ] - [ 0.0000000000000000, 0.0001878300000000, -0.0001540500000000 ] - [ 0.0000000000000000, 0.0001875500000000, -0.0001537500000000 ] - [ 0.0000000000000000, 0.0050477300000000, -0.3547020400000000 ] - [ 0.0000000000000000, -0.0007850000000000, -0.0046878000000000 ] - [ -0.0000001300000000, 0.0007970700000000, 0.0001474900000000 ] - [ 0.0000001300000000, 0.0007970700000000, 0.0001474900000000 ] - [ 0.0000000100000000, -0.0007974900000000, -0.0000171600000000 ] - [ -0.0000000100000000, -0.0007974900000000, -0.0000171600000000 ] - [ 0.0000000000000000, 0.0007961400000000, 0.0003170500000000 ] - [ 0.0000000000000000, 0.0007962700000000, 0.0004240400000000 ] - [ 0.0000000000000000, -0.0001177200000000, 0.0492078000000000 ] - [ 0.0000000000000000, 0.0004542800000000, 0.0040635800000000 ] - [ 0.0000000000000000, -0.0539428400000000, 0.1430742000000000 ] - [ 0.0000000000000000, -0.0001036900000000, 0.0035948800000000 ] - [ -0.0000112700000000, -0.0001374900000000, -0.0002863200000000 ] - [ 0.0000112700000000, -0.0001374900000000, -0.0002863200000000 ] - [ -0.0000006300000000, -0.0004675500000000, -0.0004572400000000 ] - [ 0.0000006300000000, -0.0004675500000000, -0.0004572400000000 ] - [ 0.0000114200000000, 0.0000321200000000, -0.0000963600000000 ] - [ -0.0000114200000000, 0.0000321200000000, -0.0000963600000000 ] - [ 0.0000000000000000, 0.0484295100000000, 0.1343444000000000 ] - [ 0.0000000000000000, 0.0001894100000000, 0.0034136900000000 ] - [ 0.0000000200000000, 0.0004675900000000, 0.0000262800000000 ] - [ -0.0000000200000000, 0.0004675900000000, 0.0000262800000000 ] - [ -0.0000001000000000, 0.0000542800000000, 0.0001164300000000 ] - [ 0.0000001000000000, 0.0000542800000000, 0.0001164300000000 ] - [ 0.0000000000000000, 0.0000815100000000, -0.0005023600000000 ] - [ 0.0000000000000000, 0.0002441800000000, -0.0006519800000000 ] - [ 0.0000000000000000, -0.0004640100000000, -0.0001691600000000 ] - [ 0.0000000000000000, -0.0004652100000000, -0.0002131300000000 ] - [ 0.0000000000000000, -0.0001879900000000, -0.0003066000000000 ] - [ 0.0000000000000000, -0.0003489300000000, -0.0004556500000000 ] - [ 0.0000001400000000, 0.0000533300000000, -0.0000747700000000 ] - [ -0.0000001400000000, 0.0000533300000000, -0.0000747700000000 ] - [ 0.0026644600000000, 0.0018644000000000, -0.0037077100000000 ] - [ -0.0026644600000000, 0.0018644000000000, -0.0037077100000000 ] - [ 0.0000000000000000, 0.0017763300000000, -0.0016343100000000 ] - [ 0.0000000000000000, 0.0011012200000000, -0.0018994400000000 ] - [ 0.0000000000000000, -0.0002108800000000, -0.0040928500000000 ] - [ 0.0000000000000000, -0.0001821800000000, -0.0018116700000000 ] - [ 0.0000000000000000, -0.0015685800000000, -0.0016706500000000 ] - [ 0.0000000000000000, -0.0008813900000000, -0.0019232900000000 ] - [ -0.0005843900000000, 0.0013606800000000, 0.0007762900000000 ] - [ 0.0005843900000000, 0.0013606800000000, 0.0007762900000000 ] - [ 0.0005935400000000, -0.0015948500000000, 0.0008152700000000 ] - [ -0.0005935400000000, -0.0015948500000000, 0.0008152700000000 ] - [ -0.0026655200000000, -0.0019924600000000, -0.0035762200000000 ] - [ 0.0026655200000000, -0.0019924600000000, -0.0035762200000000 ] - [ 0.0000000000000000, -0.0005046000000000, -0.0003314300000000 ] - [ 0.0000000000000000, -0.0000162100000000, 0.0000669100000000 ] - [ 0.0000001000000000, 0.0001853000000000, 0.0000964800000000 ] - [ -0.0000001000000000, 0.0001853000000000, 0.0000964800000000 ] - [ 0.0000000000000000, 0.0006429500000000, -0.0001955300000000 ] - [ 0.0000000000000000, 0.0001484000000000, 0.0002143800000000 ] - [ 0.0000000000000000, 0.0000713600000000, -0.0000194700000000 ] - [ 0.0000000000000000, 0.0000687300000000, -0.0000251600000000 ] - [ 0.0000000000000000, -0.0000686700000000, -0.0000192300000000 ] - [ 0.0000000000000000, -0.0000660500000000, -0.0000247100000000 ] - [ 0.0000000000000000, -0.0000552700000000, -0.0000861200000000 ] - [ 0.0000000000000000, -0.0000560700000000, -0.0000855800000000 ] - [ 0.0000015200000000, 0.0000681600000000, -0.0000112000000000 ] - [ -0.0000015200000000, 0.0000681600000000, -0.0000112000000000 ] - [ 0.0000001600000000, -0.0001826600000000, -0.0000302500000000 ] - [ -0.0000001600000000, -0.0001826600000000, -0.0000302500000000 ] - [ -0.0000015700000000, 0.0001576900000000, -0.0000339600000000 ] - [ 0.0000015700000000, 0.0001576900000000, -0.0000339600000000 ] - [ 0.0000000000000000, -0.0002030100000000, 0.0000298600000000 ] - [ 0.0000000000000000, -0.0002015600000000, 0.0000296800000000 ] - [ 0.0000000000000000, -0.0000177700000000, 0.0000524700000000 ] - [ 0.0000000000000000, -0.0000192700000000, 0.0000519800000000 ] - [ 0.0000000000000000, -0.0000734100000000, 0.0000618400000000 ] - [ 0.0000000000000000, -0.0000723800000000, 0.0000619500000000 ] - [ 0.0000680800000000, 0.0006334100000000, 0.0001233100000000 ] - [ -0.0000680800000000, 0.0006334100000000, 0.0001233100000000 ] - [ 0.0000000000000000, 0.0002030900000000, 0.0038157800000000 ] - [ 0.0000000000000000, 0.0002099900000000, -0.0000597000000000 ] - [ -0.0000685300000000, -0.0004961300000000, 0.0002722600000000 ] - [ 0.0000685300000000, -0.0004961300000000, 0.0002722600000000 ] - [ 0.0014389800000000, -0.0026268600000000, 0.0000217500000000 ] - [ -0.0014389800000000, -0.0026268600000000, 0.0000217500000000 ] - [ -0.0014329200000000, 0.0026206200000000, 0.0000103000000000 ] - [ 0.0014329200000000, 0.0026206200000000, 0.0000103000000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000761900000000, -0.0006549500000000, 0.0000000000000000 ] - [ -0.0000778000000000, -0.0006549300000000, 0.0000000000000000 ] - [ 0.0017145700000000, -0.0001632600000000, -0.0001334400000000 ] - [ -0.0016359700000000, -0.0001643800000000, -0.0001412500000000 ] - [ 0.0017145700000000, -0.0001632600000000, 0.0001334400000000 ] - [ -0.0016359700000000, -0.0001643800000000, 0.0001412500000000 ] - [ 0.0012387700000000, 0.0000652600000000, -0.0002114800000000 ] - [ -0.0010437200000000, 0.0000810600000000, -0.0001836900000000 ] - [ 0.0104716400000000, 0.0000337500000000, 0.0000000000000000 ] - [ -0.0046516200000000, -0.0000241000000000, 0.0000000000000000 ] - [ 0.0021056100000000, 0.0021303100000000, -0.0055527700000000 ] - [ 0.0018291300000000, -0.0018355800000000, 0.0060558800000000 ] - [ 0.0000039100000000, -0.0003487000000000, 0.0002129300000000 ] - [ -0.0000079500000000, 0.0002122700000000, 0.0001529500000000 ] - [ -0.0000381700000000, -0.0010405300000000, 0.0000000000000000 ] - [ -0.0000427500000000, 0.0010374300000000, 0.0000000000000000 ] - [ 0.0004842900000000, 0.0014373800000000, 0.0000000000000000 ] - [ 0.0004374900000000, -0.0000921600000000, 0.0000000000000000 ] - [ 0.0012387700000000, 0.0000652600000000, 0.0002114800000000 ] - [ -0.0010437200000000, 0.0000810600000000, 0.0001836900000000 ] - [ 0.0000039100000000, -0.0003487000000000, -0.0002129300000000 ] - [ -0.0000079500000000, 0.0002122700000000, -0.0001529500000000 ] - [ 0.0021056100000000, 0.0021303100000000, 0.0055527700000000 ] - [ 0.0018291300000000, -0.0018355800000000, -0.0060558800000000 ] - [ -0.0000132300000000, -0.0006161500000000, 0.0000000000000000 ] - [ -0.0000182200000000, -0.0006865100000000, 0.0000000000000000 ] - [ 0.0000004400000000, -0.0001566000000000, -0.0001416700000000 ] - [ -0.0000002200000000, -0.0001542000000000, -0.0001421700000000 ] - [ 0.0000004400000000, -0.0001566000000000, 0.0001416700000000 ] - [ -0.0000002200000000, -0.0001542000000000, 0.0001421700000000 ] - [ -0.0000001800000000, 0.0000672800000000, -0.0001885600000000 ] - [ -0.0000000600000000, 0.0000693000000000, -0.0001849700000000 ] - [ -0.0000010000000000, 0.0000036700000000, 0.0000000000000000 ] - [ 0.0000000200000000, -0.0000017000000000, 0.0000000000000000 ] - [ -0.0000003900000000, 0.0001550400000000, 0.0001419800000000 ] - [ 0.0000011300000000, 0.0001546000000000, 0.0001420500000000 ] - [ -0.0001166500000000, -0.0000714100000000, 0.0001849500000000 ] - [ 0.0001265200000000, -0.0000685400000000, 0.0001860700000000 ] - [ 0.0000004800000000, -0.0000014900000000, 0.0000000000000000 ] - [ -0.0000006500000000, -0.0000013300000000, 0.0000000000000000 ] - [ 0.0000049300000000, 0.0006533200000000, 0.0000000000000000 ] - [ -0.0000045500000000, 0.0006523800000000, 0.0000000000000000 ] - [ -0.0000001800000000, 0.0000672800000000, 0.0001885600000000 ] - [ -0.0000000600000000, 0.0000693000000000, 0.0001849700000000 ] - [ -0.0001166500000000, -0.0000714100000000, -0.0001849500000000 ] - [ 0.0001265200000000, -0.0000685400000000, -0.0001860700000000 ] - [ -0.0000003900000000, 0.0001550400000000, -0.0001419800000000 ] - [ 0.0000011300000000, 0.0001546000000000, -0.0001420500000000 ] - [ 0.0461977400000000, -0.0004070900000000, 0.0000000000000000 ] - [ 0.0004732100000000, -0.0007741500000000, 0.0000000000000000 ] - [ 0.0000133200000000, 0.0008977400000000, 0.0000000000000000 ] - [ 0.0000135700000000, 0.0006878800000000, 0.0000000000000000 ] - [ -0.0000000300000000, -0.0007967500000000, 0.0000000000000000 ] - [ -0.0000000500000000, -0.0007962400000000, 0.0000000000000000 ] - [ 0.0000076200000000, 0.0007962800000000, 0.0000000000000000 ] - [ -0.0000115400000000, 0.0007962800000000, 0.0000000000000000 ] - [ -0.0538061100000000, -0.0001243300000000, 0.0000000000000000 ] - [ 0.0135573800000000, 0.0004698600000000, 0.0000000000000000 ] - [ -0.0173448600000000, 0.0001471200000000, 0.0000122800000000 ] - [ 0.0015403200000000, 0.0000306900000000, 0.0000979800000000 ] - [ -0.0000016500000000, -0.0000243400000000, -0.0000236900000000 ] - [ -0.0000001300000000, -0.0000711500000000, -0.0001785100000000 ] - [ 0.0001223400000000, -0.0004844200000000, 0.0000000000000000 ] - [ 0.0001235900000000, -0.0004421900000000, 0.0000000000000000 ] - [ -0.0000016500000000, -0.0000243400000000, 0.0000236900000000 ] - [ -0.0000001300000000, -0.0000711500000000, 0.0001785100000000 ] - [ -0.0173448600000000, 0.0001471200000000, -0.0000122800000000 ] - [ 0.0015403200000000, 0.0000306900000000, -0.0000979800000000 ] - [ 0.0000001200000000, 0.0004686200000000, 0.0000000000000000 ] - [ 0.0000000500000000, 0.0004696800000000, 0.0000000000000000 ] - [ 0.0000000500000000, 0.0000525700000000, 0.0000974000000000 ] - [ -0.0000000100000000, 0.0000506500000000, 0.0001005200000000 ] - [ 0.0000313000000000, -0.0000513600000000, -0.0000992700000000 ] - [ -0.0000410400000000, -0.0000513200000000, -0.0000998400000000 ] - [ -0.0000061000000000, -0.0004680200000000, 0.0000000000000000 ] - [ 0.0000092200000000, -0.0004693800000000, 0.0000000000000000 ] - [ 0.0000313000000000, -0.0000513600000000, 0.0000992700000000 ] - [ -0.0000410400000000, -0.0000513200000000, 0.0000998400000000 ] - [ 0.0000000500000000, 0.0000525700000000, -0.0000974000000000 ] - [ -0.0000000100000000, 0.0000506500000000, -0.0001005200000000 ] - [ -0.0002274600000000, -0.0028302700000000, -0.0023784300000000 ] - [ -0.0002106000000000, 0.0026597600000000, 0.0022173000000000 ] - [ -0.0030271900000000, 0.0001197400000000, 0.0000087500000000 ] - [ 0.0056004300000000, 0.0001231800000000, 0.0000001100000000 ] - [ -0.0002151200000000, -0.0001802700000000, 0.0000000000000000 ] - [ 0.0000717300000000, -0.0001899100000000, 0.0000000000000000 ] - [ -0.0030271900000000, 0.0001197400000000, -0.0000087500000000 ] - [ 0.0056004300000000, 0.0001231800000000, -0.0000001100000000 ] - [ 0.0014479000000000, 0.0050207900000000, -0.0027526000000000 ] - [ 0.0014827100000000, -0.0052011300000000, 0.0027259700000000 ] - [ 0.0014479000000000, 0.0050207900000000, 0.0027526000000000 ] - [ 0.0014827100000000, -0.0052011300000000, -0.0027259700000000 ] - [ -0.0002274600000000, -0.0028302700000000, 0.0023784300000000 ] - [ -0.0002106000000000, 0.0026597600000000, -0.0022173000000000 ] - [ -0.0002890800000000, 0.0000464900000000, -0.0000985700000000 ] - [ 0.0005626000000000, 0.0000703400000000, -0.0000741700000000 ] - [ 0.0000001900000000, 0.0001980100000000, 0.0000000000000000 ] - [ 0.0000008300000000, 0.0001696100000000, 0.0000000000000000 ] - [ -0.0002890800000000, 0.0000464900000000, 0.0000985700000000 ] - [ 0.0005626000000000, 0.0000703400000000, 0.0000741700000000 ] - [ 0.0000055400000000, -0.0000004000000000, 0.0000008900000000 ] - [ 0.0000010500000000, -0.0000003900000000, 0.0000010400000000 ] - [ 0.0000055400000000, -0.0000004000000000, -0.0000008900000000 ] - [ 0.0000010500000000, -0.0000003900000000, -0.0000010400000000 ] - [ -0.0000008100000000, -0.0000647500000000, -0.0000742700000000 ] - [ 0.0000009500000000, -0.0000646900000000, -0.0000741800000000 ] - [ -0.0000000100000000, 0.0001113200000000, 0.0000104500000000 ] - [ 0.0000000800000000, 0.0001130600000000, 0.0000117700000000 ] - [ 0.0000016200000000, -0.0001773500000000, 0.0000000000000000 ] - [ 0.0000014600000000, -0.0001879600000000, 0.0000000000000000 ] - [ -0.0000000100000000, 0.0001113200000000, -0.0000104500000000 ] - [ 0.0000000800000000, 0.0001130600000000, -0.0000117700000000 ] - [ -0.0000012200000000, -0.0001116900000000, -0.0000112500000000 ] - [ 0.0000010200000000, -0.0001116400000000, -0.0000110500000000 ] - [ -0.0000012200000000, -0.0001116900000000, 0.0000112500000000 ] - [ 0.0000010200000000, -0.0001116400000000, 0.0000110500000000 ] - [ -0.0000008100000000, -0.0000647500000000, 0.0000742700000000 ] - [ 0.0000009500000000, -0.0000646900000000, 0.0000741800000000 ] - [ -0.0000002700000000, 0.0000601000000000, -0.0000690200000000 ] - [ 0.0000001100000000, 0.0000713300000000, -0.0000793400000000 ] - [ 0.0004518900000000, 0.0001873500000000, 0.0000000000000000 ] - [ -0.0006228200000000, 0.0001814300000000, 0.0000000000000000 ] - [ -0.0000002700000000, 0.0000601000000000, 0.0000690200000000 ] - [ 0.0000001100000000, 0.0000713300000000, 0.0000793400000000 ] - [ -0.0001292700000000, 0.0002930200000000, 0.0002488400000000 ] - [ -0.0001210000000000, -0.0002938900000000, -0.0002438900000000 ] - [ -0.0001292700000000, 0.0002930200000000, -0.0002488400000000 ] - [ -0.0001210000000000, -0.0002938900000000, 0.0002438900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0022088900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021617100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019399500000000, -0.0050979900000000 ] - [ 0.0000000000000000, 0.0013692600000000, -0.0029466000000000 ] - [ 0.0000000000000000, 0.0019399500000000, 0.0050979900000000 ] - [ 0.0000000000000000, 0.0013692600000000, 0.0029466000000000 ] - [ 0.0000000000000000, -0.0024081300000000, -0.0084235900000000 ] - [ 0.0000000000000000, 0.0014857800000000, -0.0007146400000000 ] - [ 0.0000000000000000, 0.0162600000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022976000000000, 0.0000000000000000 ] - [ 0.0011650100000000, 0.0194343400000000, -0.0013185000000000 ] - [ -0.0011650100000000, 0.0194343400000000, -0.0013185000000000 ] - [ -0.0016602800000000, -0.0031373300000000, 0.0009301800000000 ] - [ 0.0016602800000000, -0.0031373300000000, 0.0009301800000000 ] - [ -0.0000145100000000, 0.0063052200000000, 0.0000000000000000 ] - [ 0.0000145100000000, 0.0063052200000000, 0.0000000000000000 ] - [ 0.0066085800000000, -0.0017191600000000, 0.0000000000000000 ] - [ -0.0066085800000000, -0.0017191600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024081300000000, 0.0084235900000000 ] - [ 0.0000000000000000, 0.0014857800000000, 0.0007146400000000 ] - [ -0.0016602800000000, -0.0031373300000000, -0.0009301800000000 ] - [ 0.0016602800000000, -0.0031373300000000, -0.0009301800000000 ] - [ 0.0011650100000000, 0.0194343400000000, 0.0013185000000000 ] - [ -0.0011650100000000, 0.0194343400000000, 0.0013185000000000 ] - [ 0.0006064000000000, -0.0022376600000000, 0.0000000000000000 ] - [ -0.0006064000000000, -0.0022376600000000, 0.0000000000000000 ] - [ 0.0000201100000000, -0.0021447800000000, -0.0003108600000000 ] - [ -0.0000201100000000, -0.0021447800000000, -0.0003108600000000 ] - [ 0.0000201100000000, -0.0021447800000000, 0.0003108600000000 ] - [ -0.0000201100000000, -0.0021447800000000, 0.0003108600000000 ] - [ -0.0000202200000000, -0.0023848100000000, -0.0004465200000000 ] - [ 0.0000202200000000, -0.0023848100000000, -0.0004465200000000 ] - [ 0.0000049900000000, -0.0026604100000000, 0.0000000000000000 ] - [ -0.0000049900000000, -0.0026604100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018494100000000, -0.0000705600000000 ] - [ 0.0000000000000000, -0.0018474100000000, -0.0000706600000000 ] - [ 0.0000000000000000, -0.0032168500000000, -0.0008543600000000 ] - [ 0.0000000000000000, -0.0024714200000000, -0.0005150600000000 ] - [ 0.0000000000000000, -0.0025823700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025708700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017668900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016610900000000, 0.0000000000000000 ] - [ -0.0000202200000000, -0.0023848100000000, 0.0004465200000000 ] - [ 0.0000202200000000, -0.0023848100000000, 0.0004465200000000 ] - [ 0.0000000000000000, -0.0032168500000000, 0.0008543600000000 ] - [ 0.0000000000000000, -0.0024714200000000, 0.0005150600000000 ] - [ 0.0000000000000000, -0.0018494100000000, 0.0000705600000000 ] - [ 0.0000000000000000, -0.0018474100000000, 0.0000706600000000 ] - [ 0.0000000000000000, 0.1675059500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039226500000000, 0.0000000000000000 ] - [ 0.0000144700000000, 0.0015283400000000, 0.0000000000000000 ] - [ -0.0000144700000000, 0.0015283400000000, 0.0000000000000000 ] - [ 0.0000004900000000, -0.0018489900000000, 0.0000000000000000 ] - [ -0.0000004900000000, -0.0018489900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002296400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002006000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.3088099500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070171700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0363799900000000, -0.0303927000000000 ] - [ 0.0000000000000000, -0.0041664700000000, 0.0007987900000000 ] - [ 0.0001606200000000, 0.0000835300000000, 0.0006929800000000 ] - [ -0.0001606200000000, 0.0000835300000000, 0.0006929800000000 ] - [ -0.0000199600000000, -0.0028956800000000, 0.0000000000000000 ] - [ 0.0000199600000000, -0.0028956800000000, 0.0000000000000000 ] - [ 0.0001606200000000, 0.0000835300000000, -0.0006929800000000 ] - [ -0.0001606200000000, 0.0000835300000000, -0.0006929800000000 ] - [ 0.0000000000000000, 0.0363799900000000, 0.0303927000000000 ] - [ 0.0000000000000000, -0.0041664700000000, -0.0007987900000000 ] - [ -0.0000003300000000, 0.0023205800000000, 0.0000000000000000 ] - [ 0.0000003300000000, 0.0023205800000000, 0.0000000000000000 ] - [ 0.0000012600000000, 0.0015841400000000, -0.0001128100000000 ] - [ -0.0000012600000000, 0.0015841400000000, -0.0001128100000000 ] - [ 0.0000000000000000, 0.0014444000000000, -0.0005121700000000 ] - [ 0.0000000000000000, 0.0013517500000000, -0.0004497500000000 ] - [ 0.0000000000000000, 0.0013674400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013282500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014444000000000, 0.0005121700000000 ] - [ 0.0000000000000000, 0.0013517500000000, 0.0004497500000000 ] - [ 0.0000012600000000, 0.0015841400000000, 0.0001128100000000 ] - [ -0.0000012600000000, 0.0015841400000000, 0.0001128100000000 ] - [ -0.0019990600000000, -0.0043316700000000, 0.0013720800000000 ] - [ 0.0019990600000000, -0.0043316700000000, 0.0013720800000000 ] - [ 0.0000000000000000, -0.0041677700000000, -0.0006286300000000 ] - [ 0.0000000000000000, -0.0038793900000000, 0.0001489500000000 ] - [ 0.0000000000000000, 0.0025937700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001365900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041677700000000, 0.0006286300000000 ] - [ 0.0000000000000000, -0.0038793900000000, -0.0001489500000000 ] - [ 0.0070554500000000, -0.0022536100000000, -0.0074419200000000 ] - [ -0.0070554500000000, -0.0022536100000000, -0.0074419200000000 ] - [ 0.0070554500000000, -0.0022536100000000, 0.0074419200000000 ] - [ -0.0070554500000000, -0.0022536100000000, 0.0074419200000000 ] - [ -0.0019990600000000, -0.0043316700000000, -0.0013720800000000 ] - [ 0.0019990600000000, -0.0043316700000000, -0.0013720800000000 ] - [ 0.0000000000000000, 0.0076237100000000, 0.0081915500000000 ] - [ 0.0000000000000000, 0.0007900900000000, 0.0003410800000000 ] - [ 0.0001128000000000, 0.0022802000000000, 0.0000000000000000 ] - [ -0.0001128000000000, 0.0022802000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076237100000000, -0.0081915500000000 ] - [ 0.0000000000000000, 0.0007900900000000, -0.0003410800000000 ] - [ 0.0000000000000000, 0.0019321900000000, -0.0003349600000000 ] - [ 0.0000000000000000, 0.0019367100000000, -0.0003839600000000 ] - [ 0.0000000000000000, 0.0019321900000000, 0.0003349600000000 ] - [ 0.0000000000000000, 0.0019367100000000, 0.0003839600000000 ] - [ 0.0000000000000000, 0.0016616200000000, -0.0003274600000000 ] - [ 0.0000000000000000, 0.0016575600000000, -0.0003256200000000 ] - [ -0.0000015300000000, 0.0015457700000000, -0.0001977300000000 ] - [ 0.0000015300000000, 0.0015457700000000, -0.0001977300000000 ] - [ -0.0000042600000000, 0.0012712900000000, 0.0000000000000000 ] - [ 0.0000042600000000, 0.0012712900000000, 0.0000000000000000 ] - [ -0.0000015300000000, 0.0015457700000000, 0.0001977300000000 ] - [ 0.0000015300000000, 0.0015457700000000, 0.0001977300000000 ] - [ 0.0000000000000000, 0.0013403200000000, -0.0002001300000000 ] - [ 0.0000000000000000, 0.0013394400000000, -0.0001993100000000 ] - [ 0.0000000000000000, 0.0013403200000000, 0.0002001300000000 ] - [ 0.0000000000000000, 0.0013394400000000, 0.0001993100000000 ] - [ 0.0000000000000000, 0.0016616200000000, 0.0003274600000000 ] - [ 0.0000000000000000, 0.0016575600000000, 0.0003256200000000 ] - [ -0.0000550900000000, 0.0018730400000000, 0.0001138500000000 ] - [ 0.0000550900000000, 0.0018730400000000, 0.0001138500000000 ] - [ 0.0000000000000000, 0.0036949000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022388700000000, 0.0000000000000000 ] - [ -0.0000550900000000, 0.0018730400000000, -0.0001138500000000 ] - [ 0.0000550900000000, 0.0018730400000000, -0.0001138500000000 ] - [ -0.0011398100000000, 0.0014706500000000, 0.0008444200000000 ] - [ 0.0011398100000000, 0.0014706500000000, 0.0008444200000000 ] - [ -0.0011398100000000, 0.0014706500000000, -0.0008444200000000 ] - [ 0.0011398100000000, 0.0014706500000000, -0.0008444200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0009125400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008665200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022120900000000, 0.0047740200000000 ] - [ 0.0000000000000000, -0.0016520700000000, 0.0026469400000000 ] - [ 0.0000000000000000, -0.0022120900000000, -0.0047740200000000 ] - [ 0.0000000000000000, -0.0016520700000000, -0.0026469400000000 ] - [ 0.0000000000000000, 0.0025502300000000, 0.0080553100000000 ] - [ 0.0000000000000000, -0.0013660000000000, 0.0003237700000000 ] - [ 0.0000000000000000, -0.0147763600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022337500000000, 0.0000000000000000 ] - [ -0.0011683700000000, -0.0190874800000000, 0.0016490300000000 ] - [ 0.0011683700000000, -0.0190874800000000, 0.0016490300000000 ] - [ 0.0016405700000000, 0.0029843600000000, -0.0005391900000000 ] - [ -0.0016405700000000, 0.0029843600000000, -0.0005391900000000 ] - [ 0.0000108400000000, -0.0062945900000000, 0.0000000000000000 ] - [ -0.0000108400000000, -0.0062945900000000, 0.0000000000000000 ] - [ -0.0066344700000000, 0.0029982300000000, 0.0000000000000000 ] - [ 0.0066344700000000, 0.0029982300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025502300000000, -0.0080553100000000 ] - [ 0.0000000000000000, -0.0013660000000000, -0.0003237700000000 ] - [ 0.0016405700000000, 0.0029843600000000, 0.0005391900000000 ] - [ -0.0016405700000000, 0.0029843600000000, 0.0005391900000000 ] - [ -0.0011683700000000, -0.0190874800000000, -0.0016490300000000 ] - [ 0.0011683700000000, -0.0190874800000000, -0.0016490300000000 ] - [ -0.0006102200000000, 0.0009348400000000, 0.0000000000000000 ] - [ 0.0006102200000000, 0.0009348400000000, 0.0000000000000000 ] - [ -0.0000193800000000, 0.0018253900000000, 0.0000254700000000 ] - [ 0.0000193800000000, 0.0018253900000000, 0.0000254700000000 ] - [ -0.0000193800000000, 0.0018253900000000, -0.0000254700000000 ] - [ 0.0000193800000000, 0.0018253900000000, -0.0000254700000000 ] - [ 0.0000200900000000, 0.0025161500000000, 0.0000680800000000 ] - [ -0.0000200900000000, 0.0025161500000000, 0.0000680800000000 ] - [ -0.0000044200000000, 0.0026553500000000, 0.0000000000000000 ] - [ 0.0000044200000000, 0.0026553500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021545700000000, 0.0003543200000000 ] - [ 0.0000000000000000, 0.0021528100000000, 0.0003545700000000 ] - [ 0.0000000000000000, 0.0030712300000000, 0.0012296400000000 ] - [ 0.0000000000000000, 0.0023206100000000, 0.0008887300000000 ] - [ 0.0000000000000000, 0.0025677900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025558400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030508200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029459200000000, 0.0000000000000000 ] - [ 0.0000200900000000, 0.0025161500000000, -0.0000680800000000 ] - [ -0.0000200900000000, 0.0025161500000000, -0.0000680800000000 ] - [ 0.0000000000000000, 0.0030712300000000, -0.0012296400000000 ] - [ 0.0000000000000000, 0.0023206100000000, -0.0008887300000000 ] - [ 0.0000000000000000, 0.0021545700000000, -0.0003543200000000 ] - [ 0.0000000000000000, 0.0021528100000000, -0.0003545700000000 ] - [ 0.0000000000000000, -0.1835335200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0055402100000000, 0.0000000000000000 ] - [ -0.0000143300000000, 0.0000772200000000, 0.0000000000000000 ] - [ 0.0000143300000000, 0.0000772200000000, 0.0000000000000000 ] - [ -0.0000004500000000, 0.0002524500000000, 0.0000000000000000 ] - [ 0.0000004500000000, 0.0002524500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018187100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017893800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.3234567700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079337400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0367362400000000, 0.0309823100000000 ] - [ 0.0000000000000000, 0.0043083600000000, -0.0006102400000000 ] - [ -0.0001584800000000, -0.0001965800000000, -0.0008802100000000 ] - [ 0.0001584800000000, -0.0001965800000000, -0.0008802100000000 ] - [ 0.0000214800000000, 0.0019328900000000, 0.0000000000000000 ] - [ -0.0000214800000000, 0.0019328900000000, 0.0000000000000000 ] - [ -0.0001584800000000, -0.0001965800000000, 0.0008802100000000 ] - [ 0.0001584800000000, -0.0001965800000000, 0.0008802100000000 ] - [ 0.0000000000000000, -0.0367362400000000, -0.0309823100000000 ] - [ 0.0000000000000000, 0.0043083600000000, 0.0006102400000000 ] - [ 0.0000004500000000, -0.0013780900000000, 0.0000000000000000 ] - [ -0.0000004500000000, -0.0013780900000000, 0.0000000000000000 ] - [ -0.0000011200000000, -0.0014741100000000, 0.0003080100000000 ] - [ 0.0000011200000000, -0.0014741100000000, 0.0003080100000000 ] - [ 0.0000000000000000, -0.0015436200000000, 0.0003150700000000 ] - [ 0.0000000000000000, -0.0014504600000000, 0.0002522600000000 ] - [ 0.0000000000000000, -0.0022966000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022575800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015436200000000, -0.0003150700000000 ] - [ 0.0000000000000000, -0.0014504600000000, -0.0002522600000000 ] - [ -0.0000011200000000, -0.0014741100000000, -0.0003080100000000 ] - [ 0.0000011200000000, -0.0014741100000000, -0.0003080100000000 ] - [ 0.0020156300000000, 0.0042324500000000, -0.0015076500000000 ] - [ -0.0020156300000000, 0.0042324500000000, -0.0015076500000000 ] - [ 0.0000000000000000, 0.0043606300000000, 0.0006722500000000 ] - [ 0.0000000000000000, 0.0040580400000000, -0.0000949600000000 ] - [ 0.0000000000000000, -0.0029669200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002176900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0043606300000000, -0.0006722500000000 ] - [ 0.0000000000000000, 0.0040580400000000, 0.0000949600000000 ] - [ -0.0069791200000000, 0.0019792500000000, 0.0073426700000000 ] - [ 0.0069791200000000, 0.0019792500000000, 0.0073426700000000 ] - [ -0.0069791200000000, 0.0019792500000000, -0.0073426700000000 ] - [ 0.0069791200000000, 0.0019792500000000, -0.0073426700000000 ] - [ 0.0020156300000000, 0.0042324500000000, 0.0015076500000000 ] - [ -0.0020156300000000, 0.0042324500000000, 0.0015076500000000 ] - [ 0.0000000000000000, -0.0074163900000000, -0.0082422300000000 ] - [ 0.0000000000000000, -0.0006709500000000, -0.0004880600000000 ] - [ -0.0001114000000000, -0.0019030500000000, 0.0000000000000000 ] - [ 0.0001114000000000, -0.0019030500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074163900000000, 0.0082422300000000 ] - [ 0.0000000000000000, -0.0006709500000000, 0.0004880600000000 ] - [ 0.0000000000000000, -0.0019240800000000, 0.0003316800000000 ] - [ 0.0000000000000000, -0.0019285800000000, 0.0003800100000000 ] - [ 0.0000000000000000, -0.0019240800000000, -0.0003316800000000 ] - [ 0.0000000000000000, -0.0019285800000000, -0.0003800100000000 ] - [ 0.0000000000000000, -0.0017863600000000, 0.0001776500000000 ] - [ 0.0000000000000000, -0.0017824900000000, 0.0001759500000000 ] - [ 0.0000015000000000, -0.0013166800000000, 0.0002190600000000 ] - [ -0.0000015000000000, -0.0013166800000000, 0.0002190600000000 ] - [ 0.0000044300000000, -0.0016375300000000, 0.0000000000000000 ] - [ -0.0000044300000000, -0.0016375300000000, 0.0000000000000000 ] - [ 0.0000015000000000, -0.0013166800000000, -0.0002190600000000 ] - [ -0.0000015000000000, -0.0013166800000000, -0.0002190600000000 ] - [ 0.0000000000000000, -0.0015591200000000, 0.0001771800000000 ] - [ 0.0000000000000000, -0.0015580700000000, 0.0001767300000000 ] - [ 0.0000000000000000, -0.0015591200000000, -0.0001771800000000 ] - [ 0.0000000000000000, -0.0015580700000000, -0.0001767300000000 ] - [ 0.0000000000000000, -0.0017863600000000, -0.0001776500000000 ] - [ 0.0000000000000000, -0.0017824900000000, -0.0001759500000000 ] - [ 0.0000555900000000, -0.0017351800000000, -0.0002618300000000 ] - [ -0.0000555900000000, -0.0017351800000000, -0.0002618300000000 ] - [ 0.0000000000000000, -0.0033221100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018512200000000, 0.0000000000000000 ] - [ 0.0000555900000000, -0.0017351800000000, 0.0002618300000000 ] - [ -0.0000555900000000, -0.0017351800000000, 0.0002618300000000 ] - [ 0.0011461500000000, -0.0014669300000000, -0.0008449600000000 ] - [ -0.0011461500000000, -0.0014669300000000, -0.0008449600000000 ] - [ 0.0011461500000000, -0.0014669300000000, 0.0008449600000000 ] - [ -0.0011461500000000, -0.0014669300000000, 0.0008449600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006476100000000, -0.0002716200000000 ] - [ 0.0000000000000000, -0.0006469500000000, -0.0002807400000000 ] - [ 0.0000000000000000, -0.0035234500000000, -0.0024213700000000 ] - [ 0.0000000000000000, -0.0026731100000000, -0.0017422900000000 ] - [ 0.0000000000000000, 0.0031964700000000, -0.0021440400000000 ] - [ 0.0000000000000000, 0.0023416200000000, -0.0014659100000000 ] - [ 0.0000000000000000, -0.0039127300000000, -0.0048139300000000 ] - [ 0.0000000000000000, -0.0020295000000000, -0.0014275000000000 ] - [ 0.0000000000000000, 0.0001858200000000, 0.0121146000000000 ] - [ 0.0000000000000000, -0.0000075900000000, 0.0053104700000000 ] - [ -0.0042224200000000, -0.0008554900000000, 0.0028279100000000 ] - [ 0.0042224200000000, -0.0008554900000000, 0.0028279100000000 ] - [ -0.0000946300000000, 0.0005684200000000, 0.0002674800000000 ] - [ 0.0000946300000000, 0.0005684200000000, 0.0002674800000000 ] - [ -0.0000000200000000, 0.0000017500000000, -0.0075033600000000 ] - [ 0.0000000200000000, 0.0000017500000000, -0.0075033600000000 ] - [ 0.0000074200000000, 0.0006465300000000, 0.0056100500000000 ] - [ -0.0000074200000000, 0.0006465300000000, 0.0056100500000000 ] - [ 0.0000000000000000, 0.0040268200000000, -0.0043904400000000 ] - [ 0.0000000000000000, 0.0021726900000000, -0.0010467600000000 ] - [ 0.0000970800000000, -0.0006963000000000, -0.0001106000000000 ] - [ -0.0000970800000000, -0.0006963000000000, -0.0001106000000000 ] - [ 0.0045269300000000, 0.0011230000000000, 0.0022512200000000 ] - [ -0.0045269300000000, 0.0011230000000000, 0.0022512200000000 ] - [ 0.0000018400000000, -0.0006469700000000, -0.0007022900000000 ] - [ -0.0000018400000000, -0.0006469700000000, -0.0007022900000000 ] - [ 0.0000057100000000, -0.0000530600000000, -0.0002154900000000 ] - [ -0.0000057100000000, -0.0000530600000000, -0.0002154900000000 ] - [ -0.0000057600000000, -0.0002688700000000, 0.0000690200000000 ] - [ 0.0000057600000000, -0.0002688700000000, 0.0000690200000000 ] - [ -0.0000009700000000, 0.0001460400000000, -0.0002200500000000 ] - [ 0.0000009700000000, 0.0001460400000000, -0.0002200500000000 ] - [ -0.0000000900000000, 0.0000012600000000, 0.0001897900000000 ] - [ 0.0000000900000000, 0.0000012600000000, 0.0001897900000000 ] - [ 0.0000000000000000, 0.0001692000000000, 0.0001556100000000 ] - [ 0.0000000000000000, 0.0001686900000000, 0.0001554000000000 ] - [ 0.0000000000000000, -0.0011049300000000, 0.0003594200000000 ] - [ 0.0000000000000000, -0.0008303000000000, 0.0004174400000000 ] - [ 0.0000000000000000, -0.0000012100000000, -0.0000447200000000 ] - [ 0.0000000000000000, -0.0000016400000000, -0.0000439600000000 ] - [ 0.0000000000000000, 0.0006457500000000, 0.0000811000000000 ] - [ 0.0000000000000000, 0.0006457200000000, 0.0000849500000000 ] - [ 0.0000006700000000, -0.0000178800000000, 0.0001614800000000 ] - [ -0.0000006700000000, -0.0000178800000000, 0.0001614800000000 ] - [ 0.0000000000000000, 0.0009784200000000, -0.0000270800000000 ] - [ 0.0000000000000000, 0.0007020000000000, 0.0000334900000000 ] - [ 0.0000000000000000, 0.0001519600000000, -0.0001287400000000 ] - [ 0.0000000000000000, 0.0001523900000000, -0.0001288000000000 ] - [ 0.0000000000000000, -0.0004471000000000, 0.0492084800000000 ] - [ 0.0000000000000000, -0.0007916000000000, 0.0040634100000000 ] - [ -0.0000006400000000, 0.0007951800000000, -0.0004575300000000 ] - [ 0.0000006400000000, 0.0007951800000000, -0.0004575300000000 ] - [ 0.0000000100000000, -0.0007963500000000, 0.0000264500000000 ] - [ -0.0000000100000000, -0.0007963500000000, 0.0000264500000000 ] - [ 0.0000000000000000, 0.0007959900000000, -0.0001694400000000 ] - [ 0.0000000000000000, 0.0007960900000000, -0.0002133600000000 ] - [ 0.0000000000000000, 0.0001818000000000, -0.0829569400000000 ] - [ 0.0000000000000000, 0.0004633800000000, -0.0079287400000000 ] - [ 0.0000000000000000, -0.0332849900000000, 0.0017918300000000 ] - [ 0.0000000000000000, -0.0044209600000000, -0.0048959400000000 ] - [ -0.0000325800000000, 0.0002957300000000, 0.0005970800000000 ] - [ 0.0000325800000000, 0.0002957300000000, 0.0005970800000000 ] - [ 0.0000017300000000, -0.0004617800000000, 0.0017432700000000 ] - [ -0.0000017300000000, -0.0004617800000000, 0.0017432700000000 ] - [ 0.0000334600000000, -0.0004005600000000, 0.0007884700000000 ] - [ -0.0000334600000000, -0.0004005600000000, 0.0007884700000000 ] - [ 0.0000000000000000, 0.0333267300000000, 0.0017994300000000 ] - [ 0.0000000000000000, 0.0044975900000000, -0.0050640700000000 ] - [ 0.0000000200000000, 0.0004645700000000, -0.0000244000000000 ] - [ -0.0000000200000000, 0.0004645700000000, -0.0000244000000000 ] - [ 0.0000000600000000, 0.0000643000000000, 0.0000585700000000 ] - [ -0.0000000600000000, 0.0000643000000000, 0.0000585700000000 ] - [ 0.0000000000000000, -0.0001340000000000, 0.0001343200000000 ] - [ 0.0000000000000000, -0.0001935500000000, 0.0001907900000000 ] - [ 0.0000000000000000, -0.0004642300000000, 0.0000941000000000 ] - [ 0.0000000000000000, -0.0004642700000000, 0.0001130900000000 ] - [ 0.0000000000000000, 0.0000261100000000, 0.0003228200000000 ] - [ 0.0000000000000000, 0.0000859400000000, 0.0003800300000000 ] - [ -0.0000000300000000, 0.0000443000000000, -0.0001308800000000 ] - [ 0.0000000300000000, 0.0000443000000000, -0.0001308800000000 ] - [ -0.0005134000000000, 0.0014750900000000, 0.0036445700000000 ] - [ 0.0005134000000000, 0.0014750900000000, 0.0036445700000000 ] - [ 0.0000000000000000, -0.0011134100000000, 0.0058018200000000 ] - [ 0.0000000000000000, -0.0028789600000000, 0.0070226500000000 ] - [ 0.0000000000000000, -0.0001769100000000, 0.0024945700000000 ] - [ 0.0000000000000000, -0.0001850400000000, 0.0014779200000000 ] - [ 0.0000000000000000, 0.0013416500000000, 0.0057934500000000 ] - [ 0.0000000000000000, 0.0031259800000000, 0.0070315900000000 ] - [ -0.0030206000000000, -0.0055475100000000, -0.0011063800000000 ] - [ 0.0030206000000000, -0.0055475100000000, -0.0011063800000000 ] - [ 0.0030002300000000, 0.0053272200000000, -0.0011063000000000 ] - [ -0.0030002300000000, 0.0053272200000000, -0.0011063000000000 ] - [ 0.0005095900000000, -0.0016258500000000, 0.0037891600000000 ] - [ -0.0005095900000000, -0.0016258500000000, 0.0037891600000000 ] - [ 0.0000000000000000, 0.0002986900000000, -0.0006988500000000 ] - [ 0.0000000000000000, 0.0008218900000000, -0.0006449200000000 ] - [ 0.0000000400000000, 0.0001837300000000, -0.0002589000000000 ] - [ -0.0000000400000000, 0.0001837300000000, -0.0002589000000000 ] - [ 0.0000000000000000, -0.0002025900000000, -0.0005492300000000 ] - [ 0.0000000000000000, -0.0006914100000000, -0.0004985300000000 ] - [ 0.0000000000000000, -0.0001776000000000, 0.0000526500000000 ] - [ 0.0000000000000000, -0.0001742000000000, 0.0000545200000000 ] - [ 0.0000000000000000, 0.0001770800000000, 0.0000516000000000 ] - [ 0.0000000000000000, 0.0001733900000000, 0.0000533200000000 ] - [ 0.0000000000000000, -0.0000994400000000, -0.0000565900000000 ] - [ 0.0000000000000000, -0.0000994300000000, -0.0000568800000000 ] - [ -0.0000006200000000, 0.0001318900000000, 0.0000253100000000 ] - [ 0.0000006200000000, 0.0001318900000000, 0.0000253100000000 ] - [ 0.0000000400000000, -0.0001827000000000, 0.0000712600000000 ] - [ -0.0000000400000000, -0.0001827000000000, 0.0000712600000000 ] - [ 0.0000006000000000, 0.0000925300000000, 0.0000036000000000 ] - [ -0.0000006000000000, 0.0000925300000000, 0.0000036000000000 ] - [ 0.0000000000000000, -0.0000628000000000, -0.0000348900000000 ] - [ 0.0000000000000000, -0.0000632200000000, -0.0000349600000000 ] - [ 0.0000000000000000, -0.0001613100000000, -0.0000129200000000 ] - [ 0.0000000000000000, -0.0001608800000000, -0.0000130200000000 ] - [ 0.0000000000000000, -0.0000302900000000, 0.0000905100000000 ] - [ 0.0000000000000000, -0.0000302800000000, 0.0000902000000000 ] - [ -0.0000240700000000, -0.0002533400000000, -0.0001805800000000 ] - [ 0.0000240700000000, -0.0002533400000000, -0.0001805800000000 ] - [ 0.0000000000000000, 0.0001749100000000, -0.0019825800000000 ] - [ 0.0000000000000000, 0.0001792500000000, -0.0005726400000000 ] - [ 0.0000244600000000, 0.0003830900000000, -0.0000341400000000 ] - [ -0.0000244600000000, 0.0003830900000000, -0.0000341400000000 ] - [ -0.0005442500000000, 0.0013705100000000, -0.0000531400000000 ] - [ 0.0005442500000000, 0.0013705100000000, -0.0000531400000000 ] - [ 0.0005414100000000, -0.0013667500000000, -0.0000522400000000 ] - [ -0.0005414100000000, -0.0013667500000000, -0.0000522400000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000250300000000, -0.0006506200000000, -0.0000008500000000 ] - [ -0.0000247800000000, -0.0006503600000000, -0.0000002400000000 ] - [ 0.0008506000000000, -0.0001551900000000, -0.0001433200000000 ] - [ -0.0008427900000000, -0.0001601900000000, -0.0001443500000000 ] - [ -0.0001504400000000, -0.0001509100000000, 0.0001391300000000 ] - [ 0.0001557000000000, -0.0001525600000000, 0.0001407900000000 ] - [ 0.0007705700000000, 0.0000609400000000, -0.0001900900000000 ] - [ -0.0004505700000000, 0.0000640100000000, -0.0001753100000000 ] - [ 0.0008693200000000, 0.0000239000000000, 0.0000066600000000 ] - [ -0.0006895300000000, -0.0000029800000000, 0.0000058100000000 ] - [ 0.0028453800000000, -0.0065255700000000, -0.0008368200000000 ] - [ 0.0025609800000000, 0.0070250600000000, 0.0011867700000000 ] - [ 0.0000007600000000, -0.0000421800000000, 0.0001878800000000 ] - [ -0.0000012800000000, -0.0000891200000000, 0.0001885100000000 ] - [ 0.0000165500000000, -0.0010287400000000, -0.0010913400000000 ] - [ 0.0000090800000000, 0.0010297100000000, 0.0010818200000000 ] - [ -0.0002009600000000, 0.0064498600000000, 0.0010652200000000 ] - [ -0.0004549800000000, -0.0052782700000000, -0.0012072100000000 ] - [ 0.0105524000000000, 0.0000680100000000, 0.0001904000000000 ] - [ -0.0052552700000000, 0.0000770700000000, 0.0001611300000000 ] - [ -0.0000052500000000, -0.0002577400000000, -0.0002039400000000 ] - [ -0.0000066500000000, 0.0001249400000000, -0.0001724700000000 ] - [ -0.0000608400000000, -0.0004137500000000, 0.0004229000000000 ] - [ -0.0000991500000000, 0.0007021700000000, -0.0006766900000000 ] - [ 0.0000299700000000, -0.0003417800000000, -0.0002470200000000 ] - [ 0.0000078500000000, -0.0009751200000000, 0.0002498700000000 ] - [ 0.0000000000000000, -0.0001428300000000, -0.0001527000000000 ] - [ -0.0000013500000000, -0.0001652000000000, -0.0001314400000000 ] - [ 0.0000015200000000, -0.0001533600000000, 0.0001439000000000 ] - [ 0.0000000900000000, -0.0001537100000000, 0.0001416400000000 ] - [ -0.0000000100000000, 0.0000637400000000, -0.0001884200000000 ] - [ -0.0000002600000000, 0.0000661000000000, -0.0001875500000000 ] - [ -0.0000016300000000, -0.0000010300000000, 0.0000011300000000 ] - [ -0.0000006300000000, 0.0000113800000000, -0.0000015000000000 ] - [ -0.0000007100000000, 0.0001533100000000, 0.0001412200000000 ] - [ 0.0000004000000000, 0.0001529100000000, 0.0001411600000000 ] - [ 0.0005491900000000, -0.0000620500000000, 0.0001948500000000 ] - [ -0.0004757700000000, -0.0000577300000000, 0.0001958000000000 ] - [ -0.0000014800000000, -0.0000044800000000, 0.0000000000000000 ] - [ 0.0000014500000000, -0.0000040400000000, 0.0000003100000000 ] - [ -0.0000002100000000, 0.0006501600000000, 0.0000004500000000 ] - [ 0.0000002300000000, 0.0006494700000000, 0.0000003700000000 ] - [ -0.0000002800000000, 0.0000642000000000, 0.0001891800000000 ] - [ 0.0000001700000000, 0.0000651800000000, 0.0001863100000000 ] - [ 0.0010345300000000, -0.0000695700000000, -0.0001948600000000 ] - [ -0.0011069300000000, -0.0000622000000000, -0.0001961100000000 ] - [ 0.0000003600000000, 0.0001534500000000, -0.0001415300000000 ] - [ 0.0000000000000000, 0.0001532600000000, -0.0001415800000000 ] - [ 0.0475937400000000, -0.0010036900000000, 0.0003422300000000 ] - [ 0.0008828400000000, -0.0008088800000000, 0.0000172900000000 ] - [ 0.0000014600000000, 0.0007814200000000, -0.0000118900000000 ] - [ 0.0000017500000000, 0.0008115700000000, 0.0000108700000000 ] - [ 0.0000000400000000, -0.0007964200000000, 0.0000002400000000 ] - [ 0.0000000300000000, -0.0007973500000000, -0.0000000900000000 ] - [ -0.0000505400000000, 0.0007958100000000, -0.0000001700000000 ] - [ 0.0000699800000000, 0.0007964000000000, 0.0000006300000000 ] - [ -0.0173447900000000, 0.0003617100000000, 0.0000592200000000 ] - [ 0.0015403800000000, 0.0004782300000000, -0.0000140600000000 ] - [ -0.0483964400000000, 0.0002988100000000, -0.0003859600000000 ] - [ 0.0139804100000000, 0.0000541400000000, 0.0001029300000000 ] - [ 0.0000050000000000, -0.0000040000000000, -0.0000734800000000 ] - [ 0.0000057400000000, -0.0000989800000000, -0.0001201600000000 ] - [ -0.0000017100000000, -0.0003092600000000, -0.0000312100000000 ] - [ -0.0000001600000000, -0.0006273300000000, 0.0000348200000000 ] - [ -0.0000011500000000, -0.0000424900000000, 0.0001357100000000 ] - [ -0.0000010100000000, -0.0000620100000000, 0.0000601400000000 ] - [ -0.0164650700000000, 0.0000564000000000, 0.0000153200000000 ] - [ 0.0018437300000000, 0.0000647900000000, -0.0001147600000000 ] - [ 0.0000000100000000, 0.0004662100000000, -0.0000003500000000 ] - [ 0.0000000100000000, 0.0004703600000000, -0.0000001000000000 ] - [ 0.0000000200000000, 0.0000525600000000, 0.0000963600000000 ] - [ -0.0000000800000000, 0.0000516800000000, 0.0000983900000000 ] - [ -0.0001738400000000, -0.0000503800000000, -0.0000950800000000 ] - [ 0.0002394600000000, -0.0000505900000000, -0.0000965800000000 ] - [ 0.0000312700000000, -0.0004664900000000, -0.0000000100000000 ] - [ -0.0000409800000000, -0.0004686900000000, -0.0000004200000000 ] - [ -0.0001339800000000, -0.0000497000000000, 0.0000953000000000 ] - [ 0.0001133500000000, -0.0000516700000000, 0.0000945100000000 ] - [ -0.0000000700000000, 0.0000524100000000, -0.0000966500000000 ] - [ 0.0000000500000000, 0.0000517400000000, -0.0000982300000000 ] - [ -0.0002546700000000, 0.0000309600000000, 0.0008698200000000 ] - [ -0.0002405100000000, -0.0001635900000000, -0.0010187000000000 ] - [ 0.0000529200000000, 0.0001103000000000, 0.0000140900000000 ] - [ -0.0003137600000000, 0.0001110400000000, 0.0000126100000000 ] - [ -0.0002554300000000, -0.0001466800000000, -0.0000370800000000 ] - [ 0.0004287700000000, -0.0001861900000000, -0.0000007400000000 ] - [ -0.0028726700000000, 0.0001029800000000, -0.0000084700000000 ] - [ 0.0040549600000000, 0.0001130900000000, 0.0000063700000000 ] - [ -0.0002117400000000, -0.0005752200000000, 0.0003091100000000 ] - [ -0.0002008900000000, 0.0003476900000000, -0.0003310200000000 ] - [ -0.0003855000000000, 0.0042405100000000, -0.0010141900000000 ] - [ -0.0003714200000000, -0.0044306600000000, 0.0010212000000000 ] - [ 0.0013635900000000, -0.0009250600000000, 0.0059021200000000 ] - [ 0.0014175500000000, 0.0007594300000000, -0.0057055200000000 ] - [ -0.0005690900000000, 0.0000630600000000, -0.0000790200000000 ] - [ 0.0003894700000000, 0.0000673400000000, -0.0000755200000000 ] - [ -0.0000003100000000, 0.0001851600000000, 0.0000014000000000 ] - [ -0.0000004000000000, 0.0001799000000000, -0.0000020700000000 ] - [ 0.0000245300000000, 0.0000632000000000, 0.0000772200000000 ] - [ -0.0000751100000000, 0.0000658100000000, 0.0000743500000000 ] - [ -0.0000039600000000, -0.0000003900000000, 0.0000002000000000 ] - [ 0.0000033500000000, -0.0000003300000000, 0.0000001600000000 ] - [ 0.0000046400000000, 0.0000001400000000, -0.0000000800000000 ] - [ -0.0000089700000000, 0.0000002100000000, -0.0000001100000000 ] - [ 0.0000003500000000, -0.0000647300000000, -0.0000757900000000 ] - [ -0.0000005400000000, -0.0000648400000000, -0.0000758100000000 ] - [ -0.0000007300000000, 0.0001142300000000, 0.0000137500000000 ] - [ -0.0000006200000000, 0.0001094300000000, 0.0000075900000000 ] - [ -0.0000000500000000, -0.0001802100000000, 0.0000027900000000 ] - [ -0.0000004300000000, -0.0001843900000000, -0.0000026200000000 ] - [ 0.0000001400000000, 0.0001171500000000, -0.0000137900000000 ] - [ 0.0000004700000000, 0.0001068900000000, -0.0000078300000000 ] - [ 0.0000024700000000, -0.0001118100000000, -0.0000113800000000 ] - [ -0.0000022700000000, -0.0001117800000000, -0.0000110800000000 ] - [ 0.0000048400000000, -0.0001112400000000, 0.0000114000000000 ] - [ -0.0000040000000000, -0.0001113400000000, 0.0000111200000000 ] - [ 0.0000001300000000, -0.0000649800000000, 0.0000758500000000 ] - [ -0.0000005100000000, -0.0000649700000000, 0.0000756600000000 ] - [ 0.0000066900000000, 0.0000864200000000, -0.0001198800000000 ] - [ 0.0000067500000000, 0.0000436600000000, -0.0000291100000000 ] - [ -0.0057930800000000, 0.0001772600000000, 0.0000139600000000 ] - [ 0.0086105800000000, 0.0001613400000000, 0.0000049500000000 ] - [ 0.0000067700000000, 0.0000880300000000, 0.0000945300000000 ] - [ 0.0000083600000000, 0.0000388800000000, 0.0000550700000000 ] - [ 0.0000195400000000, -0.0006412200000000, -0.0013280500000000 ] - [ 0.0000301200000000, 0.0006368600000000, 0.0013017100000000 ] - [ 0.0004733300000000, -0.0021959700000000, 0.0017351900000000 ] - [ 0.0005065900000000, 0.0022007100000000, -0.0017070400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0023139400000000, -0.0000661300000000 ] - [ 0.0000000000000000, -0.0023069300000000, -0.0000578000000000 ] - [ 0.0000000000000000, -0.0020505800000000, -0.0016222200000000 ] - [ 0.0000000000000000, -0.0016763500000000, -0.0012311000000000 ] - [ 0.0000000000000000, -0.0009198900000000, 0.0014164300000000 ] - [ 0.0000000000000000, -0.0006754900000000, 0.0009158300000000 ] - [ 0.0000000000000000, 0.0054703800000000, 0.0014209300000000 ] - [ 0.0000000000000000, 0.0041272200000000, -0.0001253300000000 ] - [ 0.0000000000000000, -0.0084382200000000, 0.0003438800000000 ] - [ 0.0000000000000000, -0.0008651700000000, 0.0006763100000000 ] - [ -0.0039289500000000, 0.0083251100000000, -0.0049010800000000 ] - [ 0.0039289500000000, 0.0083251100000000, -0.0049010800000000 ] - [ -0.0001753000000000, -0.0021484300000000, 0.0000542400000000 ] - [ 0.0001753000000000, -0.0021484300000000, 0.0000542400000000 ] - [ -0.0003088400000000, 0.0038784000000000, -0.0011506400000000 ] - [ 0.0003088400000000, 0.0038784000000000, -0.0011506400000000 ] - [ 0.0061885000000000, 0.0083455400000000, -0.0027758900000000 ] - [ -0.0061885000000000, 0.0083455400000000, -0.0027758900000000 ] - [ 0.0000000000000000, 0.0183461500000000, -0.0101277800000000 ] - [ 0.0000000000000000, 0.0050084600000000, 0.0007174800000000 ] - [ -0.0002670100000000, -0.0024291200000000, -0.0000431700000000 ] - [ 0.0002670100000000, -0.0024291200000000, -0.0000431700000000 ] - [ -0.0026055800000000, 0.0060633900000000, 0.0040947200000000 ] - [ 0.0026055800000000, 0.0060633900000000, 0.0040947200000000 ] - [ 0.0010581900000000, -0.0012952000000000, 0.0007682000000000 ] - [ -0.0010581900000000, -0.0012952000000000, 0.0007682000000000 ] - [ 0.0000197800000000, -0.0018890500000000, -0.0001182200000000 ] - [ -0.0000197800000000, -0.0018890500000000, -0.0001182200000000 ] - [ 0.0000618200000000, -0.0016493700000000, 0.0002760400000000 ] - [ -0.0000618200000000, -0.0016493700000000, 0.0002760400000000 ] - [ -0.0000013100000000, -0.0019611300000000, -0.0005331700000000 ] - [ 0.0000013100000000, -0.0019611300000000, -0.0005331700000000 ] - [ 0.0000068200000000, -0.0022886100000000, -0.0002033500000000 ] - [ -0.0000068200000000, -0.0022886100000000, -0.0002033500000000 ] - [ 0.0000000000000000, -0.0015167900000000, -0.0000149700000000 ] - [ 0.0000000000000000, -0.0015144800000000, -0.0000134000000000 ] - [ 0.0000000000000000, -0.0018127800000000, -0.0019077000000000 ] - [ 0.0000000000000000, -0.0011982700000000, -0.0015814400000000 ] - [ 0.0000000000000000, -0.0021094000000000, 0.0000181400000000 ] - [ 0.0000000000000000, -0.0020834000000000, 0.0000171300000000 ] - [ 0.0000000000000000, -0.0011667400000000, 0.0000198500000000 ] - [ 0.0000000000000000, -0.0011527500000000, 0.0000185700000000 ] - [ -0.0000027100000000, -0.0020158900000000, 0.0005187700000000 ] - [ 0.0000027100000000, -0.0020158900000000, 0.0005187700000000 ] - [ 0.0000000000000000, -0.0045569800000000, 0.0016198000000000 ] - [ 0.0000000000000000, -0.0029163500000000, 0.0010637400000000 ] - [ 0.0000000000000000, -0.0014614000000000, 0.0000093600000000 ] - [ 0.0000000000000000, -0.0014603200000000, 0.0000077700000000 ] - [ 0.0000000000000000, 0.0804387800000000, -0.0526658600000000 ] - [ 0.0000000000000000, 0.0042945700000000, -0.0001491100000000 ] - [ 0.0000086600000000, 0.0003442400000000, -0.0000847900000000 ] - [ -0.0000086600000000, 0.0003442400000000, -0.0000847900000000 ] - [ 0.0000000100000000, -0.0016557900000000, 0.0000006300000000 ] - [ -0.0000000100000000, -0.0016557900000000, 0.0000006300000000 ] - [ 0.0000000000000000, -0.0000113700000000, 0.0001346100000000 ] - [ 0.0000000000000000, 0.0000463100000000, 0.0002959800000000 ] - [ 0.0000000000000000, 0.0372464600000000, -0.0335696600000000 ] - [ 0.0000000000000000, -0.0037716500000000, -0.0044623300000000 ] - [ 0.0000000000000000, -0.1455719200000000, 0.1009683600000000 ] - [ 0.0000000000000000, -0.0077587000000000, -0.0002513100000000 ] - [ 0.0000469800000000, 0.0009600200000000, 0.0000692100000000 ] - [ -0.0000469800000000, 0.0009600200000000, 0.0000692100000000 ] - [ 0.0000222900000000, -0.0003331900000000, 0.0003474300000000 ] - [ -0.0000222900000000, -0.0003331900000000, 0.0003474300000000 ] - [ 0.0000096800000000, 0.0008537400000000, 0.0002059200000000 ] - [ -0.0000096800000000, 0.0008537400000000, 0.0002059200000000 ] - [ 0.0000000000000000, -0.0199839700000000, 0.0016769100000000 ] - [ 0.0000000000000000, -0.0077048000000000, 0.0018982300000000 ] - [ -0.0000003600000000, 0.0019977900000000, 0.0000098800000000 ] - [ 0.0000003600000000, 0.0019977900000000, 0.0000098800000000 ] - [ 0.0000002100000000, 0.0013012100000000, -0.0001107300000000 ] - [ -0.0000002100000000, 0.0013012100000000, -0.0001107300000000 ] - [ 0.0000000000000000, 0.0011584200000000, -0.0008611800000000 ] - [ 0.0000000000000000, 0.0011668300000000, -0.0009392300000000 ] - [ 0.0000000000000000, 0.0010231500000000, -0.0000800900000000 ] - [ 0.0000000000000000, 0.0009294100000000, -0.0001396500000000 ] - [ 0.0000000000000000, 0.0011340400000000, 0.0005271500000000 ] - [ 0.0000000000000000, 0.0007357900000000, 0.0001903600000000 ] - [ 0.0000000500000000, 0.0012871600000000, 0.0001041700000000 ] - [ -0.0000000500000000, 0.0012871600000000, 0.0001041700000000 ] - [ -0.0000101200000000, -0.0033986900000000, -0.0004705400000000 ] - [ 0.0000101200000000, -0.0033986900000000, -0.0004705400000000 ] - [ 0.0000000000000000, -0.0010061300000000, -0.0007073400000000 ] - [ 0.0000000000000000, -0.0006339600000000, -0.0006663200000000 ] - [ 0.0000000000000000, 0.0027314100000000, -0.0061809400000000 ] - [ 0.0000000000000000, -0.0017578800000000, -0.0005962300000000 ] - [ 0.0000000000000000, 0.0012427900000000, 0.0041601500000000 ] - [ 0.0000000000000000, -0.0001026300000000, 0.0047252100000000 ] - [ 0.0015076000000000, 0.0002104000000000, -0.0016205500000000 ] - [ -0.0015076000000000, 0.0002104000000000, -0.0016205500000000 ] - [ 0.0007276800000000, 0.0029844100000000, 0.0005478600000000 ] - [ -0.0007276800000000, 0.0029844100000000, 0.0005478600000000 ] - [ -0.0035813900000000, -0.0095629200000000, 0.0006490400000000 ] - [ 0.0035813900000000, -0.0095629200000000, 0.0006490400000000 ] - [ 0.0000000000000000, 0.0027447800000000, 0.0011384700000000 ] - [ 0.0000000000000000, 0.0015267900000000, 0.0000752400000000 ] - [ 0.0000146100000000, 0.0017653800000000, -0.0000645000000000 ] - [ -0.0000146100000000, 0.0017653800000000, -0.0000645000000000 ] - [ 0.0000000000000000, 0.0020593700000000, -0.0010502900000000 ] - [ 0.0000000000000000, 0.0013831600000000, -0.0002800800000000 ] - [ 0.0000000000000000, 0.0014256200000000, -0.0000688800000000 ] - [ 0.0000000000000000, 0.0014250000000000, -0.0000736900000000 ] - [ 0.0000000000000000, 0.0015228500000000, 0.0000994900000000 ] - [ 0.0000000000000000, 0.0015241500000000, 0.0001093600000000 ] - [ 0.0000000000000000, 0.0013448200000000, -0.0002642100000000 ] - [ 0.0000000000000000, 0.0013402400000000, -0.0002602300000000 ] - [ -0.0000027600000000, 0.0012485500000000, -0.0001591700000000 ] - [ 0.0000027600000000, 0.0012485500000000, -0.0001591700000000 ] - [ -0.0000010200000000, 0.0012788500000000, 0.0000156300000000 ] - [ 0.0000010200000000, 0.0012788500000000, 0.0000156300000000 ] - [ -0.0000060100000000, 0.0013098900000000, 0.0001342100000000 ] - [ 0.0000060100000000, 0.0013098900000000, 0.0001342100000000 ] - [ 0.0000000000000000, 0.0010350300000000, -0.0001073400000000 ] - [ 0.0000000000000000, 0.0010353300000000, -0.0001063900000000 ] - [ 0.0000000000000000, 0.0011525400000000, 0.0001561200000000 ] - [ 0.0000000000000000, 0.0011492100000000, 0.0001556300000000 ] - [ 0.0000000000000000, 0.0013738600000000, 0.0002627800000000 ] - [ 0.0000000000000000, 0.0013709400000000, 0.0002598500000000 ] - [ -0.0000087600000000, 0.0019997000000000, 0.0000880200000000 ] - [ 0.0000087600000000, 0.0019997000000000, 0.0000880200000000 ] - [ 0.0000000000000000, 0.0065374800000000, 0.0047438100000000 ] - [ 0.0000000000000000, 0.0045452400000000, -0.0007340300000000 ] - [ -0.0001815600000000, 0.0013022700000000, 0.0001470400000000 ] - [ 0.0001815600000000, 0.0013022700000000, 0.0001470400000000 ] - [ -0.0002207900000000, -0.0013561300000000, 0.0014963200000000 ] - [ 0.0002207900000000, -0.0013561300000000, 0.0014963200000000 ] - [ -0.0031349300000000, 0.0019788200000000, -0.0017318800000000 ] - [ 0.0031349300000000, 0.0019788200000000, -0.0017318800000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0010204200000000, 0.0000652800000000 ] - [ 0.0000000000000000, 0.0010134900000000, 0.0000577900000000 ] - [ 0.0000000000000000, 0.0017453400000000, 0.0013373300000000 ] - [ 0.0000000000000000, 0.0013638100000000, 0.0009460300000000 ] - [ 0.0000000000000000, 0.0006017000000000, -0.0011261200000000 ] - [ 0.0000000000000000, 0.0003629000000000, -0.0006292500000000 ] - [ 0.0000000000000000, -0.0053791400000000, -0.0018556100000000 ] - [ 0.0000000000000000, -0.0040120500000000, -0.0002476500000000 ] - [ 0.0000000000000000, 0.0084343700000000, -0.0003555100000000 ] - [ 0.0000000000000000, 0.0008728700000000, -0.0006790200000000 ] - [ 0.0042093700000000, -0.0077163200000000, 0.0052107900000000 ] - [ -0.0042093700000000, -0.0077163200000000, 0.0052107900000000 ] - [ 0.0001758400000000, 0.0020167200000000, 0.0003244300000000 ] - [ -0.0001758400000000, 0.0020167200000000, 0.0003244300000000 ] - [ 0.0003132400000000, -0.0038616400000000, 0.0011679600000000 ] - [ -0.0003132400000000, -0.0038616400000000, 0.0011679600000000 ] - [ -0.0060621600000000, -0.0072192300000000, 0.0027042500000000 ] - [ 0.0060621600000000, -0.0072192300000000, 0.0027042500000000 ] - [ 0.0000000000000000, -0.0184186500000000, 0.0111378800000000 ] - [ 0.0000000000000000, -0.0049109700000000, -0.0003508700000000 ] - [ 0.0002671500000000, 0.0022982200000000, -0.0003357300000000 ] - [ -0.0002671500000000, 0.0022982200000000, -0.0003357300000000 ] - [ 0.0026097200000000, -0.0057059800000000, -0.0043593800000000 ] - [ -0.0026097200000000, -0.0057059800000000, -0.0043593800000000 ] - [ -0.0010589800000000, -0.0000071300000000, -0.0007715400000000 ] - [ 0.0010589800000000, -0.0000071300000000, -0.0007715400000000 ] - [ -0.0000196600000000, 0.0015783300000000, -0.0001661500000000 ] - [ 0.0000196600000000, 0.0015783300000000, -0.0001661500000000 ] - [ -0.0000620000000000, 0.0013382300000000, 0.0000085600000000 ] - [ 0.0000620000000000, 0.0013382300000000, 0.0000085600000000 ] - [ 0.0000012500000000, 0.0021004700000000, 0.0001559900000000 ] - [ -0.0000012500000000, 0.0021004700000000, 0.0001559900000000 ] - [ -0.0000072600000000, 0.0022968400000000, 0.0002040700000000 ] - [ 0.0000072600000000, 0.0022968400000000, 0.0002040700000000 ] - [ 0.0000000000000000, 0.0018339600000000, 0.0002991900000000 ] - [ 0.0000000000000000, 0.0018315300000000, 0.0002975400000000 ] - [ 0.0000000000000000, 0.0016836500000000, 0.0023023900000000 ] - [ 0.0000000000000000, 0.0010610900000000, 0.0019661000000000 ] - [ 0.0000000000000000, 0.0021102600000000, -0.0000185600000000 ] - [ 0.0000000000000000, 0.0020835700000000, -0.0000171800000000 ] - [ 0.0000000000000000, 0.0024671000000000, -0.0000193600000000 ] - [ 0.0000000000000000, 0.0024524200000000, -0.0000180600000000 ] - [ 0.0000025700000000, 0.0021549200000000, -0.0001417300000000 ] - [ -0.0000025700000000, 0.0021549200000000, -0.0001417300000000 ] - [ 0.0000000000000000, 0.0044397200000000, -0.0020164900000000 ] - [ 0.0000000000000000, 0.0027861300000000, -0.0014458400000000 ] - [ 0.0000000000000000, 0.0017783000000000, -0.0002935900000000 ] - [ 0.0000000000000000, 0.0017770900000000, -0.0002923200000000 ] - [ 0.0000000000000000, -0.0811791000000000, 0.0496097500000000 ] - [ 0.0000000000000000, -0.0058812300000000, 0.0001439900000000 ] - [ -0.0000089300000000, 0.0012509200000000, 0.0000849500000000 ] - [ 0.0000089300000000, 0.0012509200000000, 0.0000849500000000 ] - [ 0.0000000000000000, 0.0000645200000000, -0.0000004400000000 ] - [ 0.0000000000000000, 0.0000645200000000, -0.0000004400000000 ] - [ 0.0000000000000000, 0.0016056800000000, -0.0001349400000000 ] - [ 0.0000000000000000, 0.0015475400000000, -0.0002971900000000 ] - [ 0.0000000000000000, -0.0358745100000000, 0.0330465900000000 ] - [ 0.0000000000000000, 0.0046965900000000, 0.0044559900000000 ] - [ 0.0000000000000000, 0.1444092600000000, -0.0980109100000000 ] - [ 0.0000000000000000, 0.0078783400000000, 0.0004438900000000 ] - [ -0.0000476200000000, -0.0010686000000000, -0.0002620400000000 ] - [ 0.0000476200000000, -0.0010686000000000, -0.0002620400000000 ] - [ -0.0000239800000000, -0.0006068800000000, -0.0003488100000000 ] - [ 0.0000239800000000, -0.0006068800000000, -0.0003488100000000 ] - [ -0.0000094900000000, -0.0009621500000000, -0.0000143500000000 ] - [ 0.0000094900000000, -0.0009621500000000, -0.0000143500000000 ] - [ 0.0000000000000000, 0.0201337200000000, -0.0015030600000000 ] - [ 0.0000000000000000, 0.0078143800000000, -0.0020805600000000 ] - [ 0.0000004000000000, -0.0010667300000000, -0.0000102100000000 ] - [ -0.0000004000000000, -0.0010667300000000, -0.0000102100000000 ] - [ -0.0000000800000000, -0.0011978200000000, 0.0003043700000000 ] - [ 0.0000000800000000, -0.0011978200000000, 0.0003043700000000 ] - [ 0.0000000000000000, -0.0012655500000000, 0.0006718800000000 ] - [ 0.0000000000000000, -0.0012746700000000, 0.0007480500000000 ] - [ 0.0000000000000000, -0.0019590200000000, 0.0000800100000000 ] - [ 0.0000000000000000, -0.0018659900000000, 0.0001398800000000 ] - [ 0.0000000000000000, -0.0012440600000000, -0.0003377800000000 ] - [ 0.0000000000000000, -0.0008405400000000, 0.0000029900000000 ] - [ -0.0000000700000000, -0.0011837000000000, -0.0002977200000000 ] - [ 0.0000000700000000, -0.0011837000000000, -0.0002977200000000 ] - [ -0.0000000100000000, 0.0032662900000000, 0.0003260300000000 ] - [ 0.0000000100000000, 0.0032662900000000, 0.0003260300000000 ] - [ 0.0000000000000000, 0.0012227700000000, 0.0007162700000000 ] - [ 0.0000000000000000, 0.0008536600000000, 0.0006795500000000 ] - [ 0.0000000000000000, -0.0031194400000000, 0.0062020900000000 ] - [ 0.0000000000000000, 0.0014032300000000, 0.0005965000000000 ] - [ 0.0000000000000000, -0.0010430700000000, -0.0041908700000000 ] - [ 0.0000000000000000, 0.0003261000000000, -0.0047240100000000 ] - [ -0.0014976200000000, -0.0004328300000000, 0.0015990700000000 ] - [ 0.0014976200000000, -0.0004328300000000, 0.0015990700000000 ] - [ -0.0007270600000000, -0.0032134200000000, -0.0005173400000000 ] - [ 0.0007270600000000, -0.0032134200000000, -0.0005173400000000 ] - [ 0.0035291700000000, 0.0094395300000000, -0.0005442700000000 ] - [ -0.0035291700000000, 0.0094395300000000, -0.0005442700000000 ] - [ 0.0000000000000000, -0.0026160200000000, -0.0012860800000000 ] - [ 0.0000000000000000, -0.0014000000000000, -0.0002253500000000 ] - [ -0.0000146200000000, -0.0014009400000000, 0.0000642500000000 ] - [ 0.0000146200000000, -0.0014009400000000, 0.0000642500000000 ] - [ 0.0000000000000000, -0.0019320800000000, 0.0012024700000000 ] - [ 0.0000000000000000, -0.0012553800000000, 0.0004306400000000 ] - [ 0.0000000000000000, -0.0014284100000000, 0.0000689200000000 ] - [ 0.0000000000000000, -0.0014278100000000, 0.0000738100000000 ] - [ 0.0000000000000000, -0.0015256300000000, -0.0000995300000000 ] - [ 0.0000000000000000, -0.0015269600000000, -0.0001093200000000 ] - [ 0.0000000000000000, -0.0014766400000000, 0.0001146300000000 ] - [ 0.0000000000000000, -0.0014720100000000, 0.0001106200000000 ] - [ 0.0000027500000000, -0.0010274500000000, 0.0001819300000000 ] - [ -0.0000027500000000, -0.0010274500000000, 0.0001819300000000 ] - [ 0.0000011400000000, -0.0016492300000000, -0.0000155100000000 ] - [ -0.0000011400000000, -0.0016492300000000, -0.0000155100000000 ] - [ 0.0000059900000000, -0.0010888000000000, -0.0001569500000000 ] - [ -0.0000059900000000, -0.0010888000000000, -0.0001569500000000 ] - [ 0.0000000000000000, -0.0012604900000000, 0.0000845000000000 ] - [ 0.0000000000000000, -0.0012606900000000, 0.0000840100000000 ] - [ 0.0000000000000000, -0.0013779500000000, -0.0001334800000000 ] - [ 0.0000000000000000, -0.0013746700000000, -0.0001330900000000 ] - [ 0.0000000000000000, -0.0015059800000000, -0.0001131300000000 ] - [ 0.0000000000000000, -0.0015030000000000, -0.0001102600000000 ] - [ 0.0000099100000000, -0.0018746400000000, -0.0002370300000000 ] - [ -0.0000099100000000, -0.0018746400000000, -0.0002370300000000 ] - [ 0.0000000000000000, -0.0062633000000000, -0.0048108000000000 ] - [ 0.0000000000000000, -0.0041931900000000, 0.0007333000000000 ] - [ 0.0001844500000000, -0.0011753000000000, 0.0000013900000000 ] - [ -0.0001844500000000, -0.0011753000000000, 0.0000013900000000 ] - [ 0.0002194900000000, 0.0013684200000000, -0.0015085100000000 ] - [ -0.0002194900000000, 0.0013684200000000, -0.0015085100000000 ] - [ 0.0031472200000000, -0.0019860500000000, 0.0017576200000000 ] - [ -0.0031472200000000, -0.0019860500000000, 0.0017576200000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0004450500000000, -0.0001120800000000 ] - [ 0.0000000000000000, -0.0004491800000000, -0.0001085800000000 ] - [ 0.0000000000000000, -0.0018859200000000, 0.0006034600000000 ] - [ 0.0000000000000000, -0.0014390000000000, 0.0002368200000000 ] - [ 0.0000000000000000, 0.0007533900000000, -0.0012983700000000 ] - [ 0.0000000000000000, 0.0005674100000000, -0.0010332100000000 ] - [ 0.0000000000000000, -0.0060814800000000, -0.0145443300000000 ] - [ 0.0000000000000000, -0.0015450000000000, -0.0038052100000000 ] - [ 0.0000000000000000, 0.0066775400000000, 0.0014349500000000 ] - [ 0.0000000000000000, 0.0005507600000000, 0.0013015900000000 ] - [ 0.0001682600000000, -0.0074351500000000, 0.0128612900000000 ] - [ -0.0001682600000000, -0.0074351500000000, 0.0128612900000000 ] - [ 0.0001602700000000, 0.0006465100000000, 0.0000697200000000 ] - [ -0.0001602700000000, 0.0006465100000000, 0.0000697200000000 ] - [ -0.0003457100000000, -0.0029594500000000, -0.0062075100000000 ] - [ 0.0003457100000000, -0.0029594500000000, -0.0062075100000000 ] - [ 0.0056006400000000, -0.0037285000000000, 0.0126159000000000 ] - [ -0.0056006400000000, -0.0037285000000000, 0.0126159000000000 ] - [ 0.0000000000000000, -0.0082272500000000, 0.0288822500000000 ] - [ 0.0000000000000000, 0.0020772700000000, 0.0014567800000000 ] - [ 0.0001339600000000, 0.0001702600000000, -0.0000081700000000 ] - [ -0.0001339600000000, 0.0001702600000000, -0.0000081700000000 ] - [ 0.0047788500000000, 0.0039626300000000, -0.0024642000000000 ] - [ -0.0047788500000000, 0.0039626300000000, -0.0024642000000000 ] - [ -0.0017009500000000, 0.0014588600000000, -0.0016623900000000 ] - [ 0.0017009500000000, 0.0014588600000000, -0.0016623900000000 ] - [ -0.0000113800000000, 0.0004592300000000, -0.0000630100000000 ] - [ 0.0000113800000000, 0.0004592300000000, -0.0000630100000000 ] - [ -0.0000530600000000, -0.0001071000000000, -0.0003152400000000 ] - [ 0.0000530600000000, -0.0001071000000000, -0.0003152400000000 ] - [ 0.0000013200000000, 0.0004438100000000, -0.0001779600000000 ] - [ -0.0000013200000000, 0.0004438100000000, -0.0001779600000000 ] - [ -0.0000033700000000, 0.0000588500000000, 0.0004862200000000 ] - [ 0.0000033700000000, 0.0000588500000000, 0.0004862200000000 ] - [ 0.0000000000000000, 0.0004787600000000, 0.0002224600000000 ] - [ 0.0000000000000000, 0.0004761600000000, 0.0002213500000000 ] - [ 0.0000000000000000, -0.0026131900000000, -0.0016649000000000 ] - [ 0.0000000000000000, -0.0023388200000000, -0.0014133900000000 ] - [ 0.0000000000000000, 0.0004431800000000, -0.0000660500000000 ] - [ 0.0000000000000000, 0.0004258500000000, -0.0000643400000000 ] - [ 0.0000000000000000, 0.0009896300000000, 0.0000372600000000 ] - [ 0.0000000000000000, 0.0009806300000000, 0.0000370100000000 ] - [ 0.0000014900000000, 0.0003975400000000, 0.0001516300000000 ] - [ -0.0000014900000000, 0.0003975400000000, 0.0001516300000000 ] - [ 0.0000000000000000, 0.0020389900000000, 0.0030466800000000 ] - [ 0.0000000000000000, 0.0011483700000000, 0.0027062000000000 ] - [ 0.0000000000000000, 0.0003761700000000, -0.0001910300000000 ] - [ 0.0000000000000000, 0.0003739500000000, -0.0001908700000000 ] - [ 0.0000000000000000, -0.0485937500000000, 0.1344046600000000 ] - [ 0.0000000000000000, -0.0007169800000000, 0.0034916400000000 ] - [ 0.0000201400000000, 0.0005863100000000, -0.0001909500000000 ] - [ -0.0000201400000000, 0.0005863100000000, -0.0001909500000000 ] - [ 0.0000000300000000, -0.0006610700000000, 0.0000209100000000 ] - [ -0.0000000300000000, -0.0006610700000000, 0.0000209100000000 ] - [ 0.0000000000000000, 0.0010942800000000, -0.0004051600000000 ] - [ 0.0000000000000000, 0.0010691800000000, -0.0005538800000000 ] - [ 0.0000000000000000, -0.0301795600000000, 0.0018669800000000 ] - [ 0.0000000000000000, 0.0011650900000000, -0.0049615000000000 ] - [ 0.0000000000000000, 0.0969163900000000, -0.2688519300000000 ] - [ 0.0000000000000000, -0.0003010500000000, -0.0064832700000000 ] - [ 0.0000237100000000, 0.0001165200000000, -0.0000156500000000 ] - [ -0.0000237100000000, 0.0001165200000000, -0.0000156500000000 ] - [ 0.0000787500000000, 0.0003229500000000, 0.0006922800000000 ] - [ -0.0000787500000000, 0.0003229500000000, 0.0006922800000000 ] - [ -0.0000374200000000, -0.0001590000000000, 0.0005360800000000 ] - [ 0.0000374200000000, -0.0001590000000000, 0.0005360800000000 ] - [ 0.0000000000000000, -0.0015091700000000, 0.0569744700000000 ] - [ 0.0000000000000000, -0.0019351000000000, -0.0008469000000000 ] - [ 0.0000004600000000, 0.0002564900000000, -0.0000362000000000 ] - [ -0.0000004600000000, 0.0002564900000000, -0.0000362000000000 ] - [ -0.0000000100000000, -0.0001586900000000, 0.0000938400000000 ] - [ 0.0000000100000000, -0.0001586900000000, 0.0000938400000000 ] - [ 0.0000000000000000, -0.0008183700000000, 0.0000016400000000 ] - [ 0.0000000000000000, -0.0008948200000000, 0.0000534800000000 ] - [ 0.0000000000000000, -0.0008821100000000, 0.0002288100000000 ] - [ 0.0000000000000000, -0.0008194800000000, 0.0002855400000000 ] - [ 0.0000000000000000, -0.0004844200000000, 0.0013699900000000 ] - [ 0.0000000000000000, -0.0001446800000000, 0.0013338200000000 ] - [ 0.0000001100000000, -0.0001520700000000, -0.0001418100000000 ] - [ -0.0000001100000000, -0.0001520700000000, -0.0001418100000000 ] - [ -0.0017286200000000, -0.0007083800000000, 0.0041498300000000 ] - [ 0.0017286200000000, -0.0007083800000000, 0.0041498300000000 ] - [ 0.0000000000000000, -0.0008664100000000, 0.0032266400000000 ] - [ 0.0000000000000000, -0.0004294700000000, 0.0029984800000000 ] - [ 0.0000000000000000, -0.0082026100000000, 0.0145189100000000 ] - [ 0.0000000000000000, -0.0001907400000000, 0.0024833000000000 ] - [ 0.0000000000000000, 0.0045282300000000, 0.0020147100000000 ] - [ 0.0000000000000000, 0.0023695700000000, 0.0012210300000000 ] - [ -0.0009397800000000, -0.0019022900000000, 0.0007651800000000 ] - [ 0.0009397800000000, -0.0019022900000000, 0.0007651800000000 ] - [ -0.0011368600000000, 0.0015922100000000, -0.0021514800000000 ] - [ 0.0011368600000000, 0.0015922100000000, -0.0021514800000000 ] - [ 0.0097233700000000, 0.0072504700000000, 0.0056126900000000 ] - [ -0.0097233700000000, 0.0072504700000000, 0.0056126900000000 ] - [ 0.0000000000000000, -0.0005914600000000, -0.0013165900000000 ] - [ 0.0000000000000000, -0.0000431500000000, -0.0004734100000000 ] - [ -0.0000093500000000, -0.0001150600000000, -0.0001000200000000 ] - [ 0.0000093500000000, -0.0001150600000000, -0.0001000200000000 ] - [ 0.0000000000000000, -0.0011134000000000, 0.0007542600000000 ] - [ 0.0000000000000000, -0.0004638300000000, 0.0000735300000000 ] - [ 0.0000000000000000, -0.0003432600000000, 0.0000811500000000 ] - [ 0.0000000000000000, -0.0003450000000000, 0.0000858800000000 ] - [ 0.0000000000000000, -0.0002153300000000, -0.0000409400000000 ] - [ 0.0000000000000000, -0.0002152400000000, -0.0000471000000000 ] - [ 0.0000000000000000, -0.0003280100000000, -0.0000068600000000 ] - [ 0.0000000000000000, -0.0003249000000000, -0.0000090600000000 ] - [ 0.0000009400000000, -0.0000544800000000, 0.0000970800000000 ] - [ -0.0000009400000000, -0.0000544800000000, 0.0000970800000000 ] - [ -0.0000007200000000, -0.0003816900000000, 0.0000317100000000 ] - [ 0.0000007200000000, -0.0003816900000000, 0.0000317100000000 ] - [ 0.0000051900000000, -0.0001852800000000, -0.0000331800000000 ] - [ -0.0000051900000000, -0.0001852800000000, -0.0000331800000000 ] - [ 0.0000000000000000, -0.0001322600000000, 0.0000645100000000 ] - [ 0.0000000000000000, -0.0001283400000000, 0.0000623100000000 ] - [ 0.0000000000000000, -0.0004025000000000, -0.0001826400000000 ] - [ 0.0000000000000000, -0.0003970900000000, -0.0001804900000000 ] - [ 0.0000000000000000, -0.0003187300000000, 0.0000367600000000 ] - [ 0.0000000000000000, -0.0003171700000000, 0.0000383100000000 ] - [ -0.0001002400000000, -0.0006623000000000, -0.0006639800000000 ] - [ 0.0001002400000000, -0.0006623000000000, -0.0006639800000000 ] - [ 0.0000000000000000, 0.0051655600000000, -0.0018605700000000 ] - [ 0.0000000000000000, 0.0060531900000000, -0.0026120900000000 ] - [ 0.0000356300000000, 0.0009950800000000, 0.0000938600000000 ] - [ -0.0000356300000000, 0.0009950800000000, 0.0000938600000000 ] - [ -0.0006166200000000, 0.0019625200000000, 0.0017194100000000 ] - [ 0.0006166200000000, 0.0019625200000000, 0.0017194100000000 ] - [ 0.0043401000000000, -0.0058328700000000, -0.0030323100000000 ] - [ -0.0043401000000000, -0.0058328700000000, -0.0030323100000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0008514700000000, 0.0001120000000000 ] - [ 0.0000000000000000, -0.0008470200000000, 0.0001089600000000 ] - [ 0.0000000000000000, 0.0015701700000000, -0.0008777900000000 ] - [ 0.0000000000000000, 0.0011274300000000, -0.0005136700000000 ] - [ 0.0000000000000000, -0.0010702300000000, 0.0015768500000000 ] - [ 0.0000000000000000, -0.0008822200000000, 0.0013124800000000 ] - [ 0.0000000000000000, 0.0062246800000000, 0.0141829300000000 ] - [ 0.0000000000000000, 0.0016866700000000, 0.0033974900000000 ] - [ 0.0000000000000000, -0.0066551500000000, -0.0014367300000000 ] - [ 0.0000000000000000, -0.0005344500000000, -0.0013052900000000 ] - [ -0.0001443900000000, 0.0077899900000000, -0.0124923200000000 ] - [ 0.0001443900000000, 0.0077899900000000, -0.0124923200000000 ] - [ -0.0001606500000000, -0.0007851700000000, 0.0003066600000000 ] - [ 0.0001606500000000, -0.0007851700000000, 0.0003066600000000 ] - [ 0.0003381500000000, 0.0029171400000000, 0.0061982600000000 ] - [ -0.0003381500000000, 0.0029171400000000, 0.0061982600000000 ] - [ -0.0054674800000000, 0.0049674000000000, -0.0127329600000000 ] - [ 0.0054674800000000, 0.0049674000000000, -0.0127329600000000 ] - [ 0.0000000000000000, 0.0075519000000000, -0.0269481800000000 ] - [ 0.0000000000000000, -0.0019287700000000, -0.0010271100000000 ] - [ -0.0001343900000000, -0.0003069700000000, -0.0003676300000000 ] - [ 0.0001343900000000, -0.0003069700000000, -0.0003676300000000 ] - [ -0.0048027500000000, -0.0036893500000000, 0.0021382000000000 ] - [ 0.0048027500000000, -0.0036893500000000, 0.0021382000000000 ] - [ 0.0016824100000000, -0.0027325500000000, 0.0016610800000000 ] - [ -0.0016824100000000, -0.0027325500000000, 0.0016610800000000 ] - [ 0.0000119900000000, -0.0007697400000000, -0.0002184300000000 ] - [ -0.0000119900000000, -0.0007697400000000, -0.0002184300000000 ] - [ 0.0000529800000000, -0.0002038300000000, 0.0005976000000000 ] - [ -0.0000529800000000, -0.0002038300000000, 0.0005976000000000 ] - [ -0.0000011800000000, -0.0003008600000000, -0.0001995500000000 ] - [ 0.0000011800000000, -0.0003008600000000, -0.0001995500000000 ] - [ 0.0000035600000000, -0.0000563700000000, -0.0004861400000000 ] - [ -0.0000035600000000, -0.0000563700000000, -0.0004861400000000 ] - [ 0.0000000000000000, -0.0001645400000000, 0.0000623600000000 ] - [ 0.0000000000000000, -0.0001615100000000, 0.0000637500000000 ] - [ 0.0000000000000000, 0.0024652100000000, 0.0020133100000000 ] - [ 0.0000000000000000, 0.0021916600000000, 0.0017740700000000 ] - [ 0.0000000000000000, -0.0004444400000000, 0.0000654700000000 ] - [ 0.0000000000000000, -0.0004276800000000, 0.0000637300000000 ] - [ 0.0000000000000000, 0.0003095000000000, -0.0000368100000000 ] - [ 0.0000000000000000, 0.0003181700000000, -0.0000365400000000 ] - [ -0.0000014000000000, -0.0002546500000000, 0.0002261600000000 ] - [ 0.0000014000000000, -0.0002546500000000, 0.0002261600000000 ] - [ 0.0000000000000000, -0.0021951700000000, -0.0033871500000000 ] - [ 0.0000000000000000, -0.0012953400000000, -0.0030678600000000 ] - [ 0.0000000000000000, -0.0000616700000000, -0.0000936400000000 ] - [ 0.0000000000000000, -0.0000601400000000, -0.0000940100000000 ] - [ 0.0000000000000000, 0.0530501000000000, -0.1430230200000000 ] - [ 0.0000000000000000, -0.0008695100000000, -0.0035163300000000 ] - [ -0.0000198700000000, 0.0010048100000000, 0.0001913500000000 ] - [ 0.0000198700000000, 0.0010048100000000, 0.0001913500000000 ] - [ -0.0000000200000000, -0.0009311900000000, -0.0000206600000000 ] - [ 0.0000000200000000, -0.0009311900000000, -0.0000206600000000 ] - [ 0.0000000000000000, 0.0005003400000000, 0.0004045400000000 ] - [ 0.0000000000000000, 0.0005259200000000, 0.0005536400000000 ] - [ 0.0000000000000000, 0.0311907100000000, -0.0017243800000000 ] - [ 0.0000000000000000, -0.0002442500000000, 0.0049980800000000 ] - [ 0.0000000000000000, -0.1021691300000000, 0.2768389000000000 ] - [ 0.0000000000000000, 0.0004008300000000, 0.0066595400000000 ] - [ -0.0000235100000000, -0.0002218100000000, -0.0001813100000000 ] - [ 0.0000235100000000, -0.0002218100000000, -0.0001813100000000 ] - [ -0.0000770000000000, -0.0012497900000000, -0.0006935400000000 ] - [ 0.0000770000000000, -0.0012497900000000, -0.0006935400000000 ] - [ 0.0000375200000000, 0.0000542300000000, -0.0003406500000000 ] - [ -0.0000375200000000, 0.0000542300000000, -0.0003406500000000 ] - [ 0.0000000000000000, 0.0016786600000000, -0.0581191400000000 ] - [ 0.0000000000000000, 0.0020500800000000, 0.0006839700000000 ] - [ -0.0000004000000000, 0.0006770800000000, 0.0000360100000000 ] - [ 0.0000004000000000, 0.0006770800000000, 0.0000360100000000 ] - [ 0.0000001000000000, 0.0002633700000000, 0.0001007200000000 ] - [ -0.0000001000000000, 0.0002633700000000, 0.0001007200000000 ] - [ 0.0000000000000000, 0.0007078100000000, -0.0002016100000000 ] - [ 0.0000000000000000, 0.0007851600000000, -0.0002538300000000 ] - [ 0.0000000000000000, -0.0000547500000000, -0.0002285000000000 ] - [ 0.0000000000000000, -0.0001171400000000, -0.0002854300000000 ] - [ 0.0000000000000000, 0.0003734000000000, -0.0011653000000000 ] - [ 0.0000000000000000, 0.0000353300000000, -0.0011330000000000 ] - [ -0.0000000600000000, 0.0002567400000000, -0.0000526600000000 ] - [ 0.0000000600000000, 0.0002567400000000, -0.0000526600000000 ] - [ 0.0017472400000000, 0.0005920400000000, -0.0042934400000000 ] - [ -0.0017472400000000, 0.0005920400000000, -0.0042934400000000 ] - [ 0.0000000000000000, 0.0011017400000000, -0.0031970100000000 ] - [ 0.0000000000000000, 0.0006581200000000, -0.0029645600000000 ] - [ 0.0000000000000000, 0.0077461400000000, -0.0144160900000000 ] - [ 0.0000000000000000, -0.0001785500000000, -0.0024795200000000 ] - [ 0.0000000000000000, -0.0042797200000000, -0.0020455700000000 ] - [ 0.0000000000000000, -0.0021386900000000, -0.0012810800000000 ] - [ 0.0009377600000000, 0.0016775300000000, -0.0007829600000000 ] - [ -0.0009377600000000, 0.0016775300000000, -0.0007829600000000 ] - [ 0.0011441100000000, -0.0018378200000000, 0.0021768700000000 ] - [ -0.0011441100000000, -0.0018378200000000, 0.0021768700000000 ] - [ -0.0096024100000000, -0.0072964000000000, -0.0054226500000000 ] - [ 0.0096024100000000, -0.0072964000000000, -0.0054226500000000 ] - [ 0.0000000000000000, 0.0007148600000000, 0.0011656100000000 ] - [ 0.0000000000000000, 0.0001675200000000, 0.0003224000000000 ] - [ 0.0000093500000000, 0.0004810700000000, 0.0001000100000000 ] - [ -0.0000093500000000, 0.0004810700000000, 0.0001000100000000 ] - [ 0.0000000000000000, 0.0012419200000000, -0.0006039900000000 ] - [ 0.0000000000000000, 0.0005893400000000, 0.0000789500000000 ] - [ 0.0000000000000000, 0.0003420600000000, -0.0000807700000000 ] - [ 0.0000000000000000, 0.0003438700000000, -0.0000853200000000 ] - [ 0.0000000000000000, 0.0002133100000000, 0.0000403700000000 ] - [ 0.0000000000000000, 0.0002132100000000, 0.0000465700000000 ] - [ 0.0000000000000000, 0.0001975400000000, -0.0001414000000000 ] - [ 0.0000000000000000, 0.0001943500000000, -0.0001391700000000 ] - [ -0.0000009900000000, 0.0002774000000000, -0.0000747400000000 ] - [ 0.0000009900000000, 0.0002774000000000, -0.0000747400000000 ] - [ 0.0000008000000000, 0.0000129300000000, -0.0000316000000000 ] - [ -0.0000008000000000, 0.0000129300000000, -0.0000316000000000 ] - [ -0.0000051500000000, 0.0004080600000000, 0.0000108700000000 ] - [ 0.0000051500000000, 0.0004080600000000, 0.0000108700000000 ] - [ 0.0000000000000000, -0.0000920900000000, -0.0000853900000000 ] - [ 0.0000000000000000, -0.0000961800000000, -0.0000829500000000 ] - [ 0.0000000000000000, 0.0001773100000000, 0.0002034600000000 ] - [ 0.0000000000000000, 0.0001722800000000, 0.0002011600000000 ] - [ 0.0000000000000000, 0.0001880100000000, 0.0001114700000000 ] - [ 0.0000000000000000, 0.0001864900000000, 0.0001099500000000 ] - [ 0.0000983800000000, 0.0007929500000000, 0.0005124100000000 ] - [ -0.0000983800000000, 0.0007929500000000, 0.0005124100000000 ] - [ 0.0000000000000000, -0.0047393500000000, 0.0019061000000000 ] - [ 0.0000000000000000, -0.0056708000000000, 0.0026091000000000 ] - [ -0.0000375400000000, -0.0008619700000000, 0.0000567400000000 ] - [ 0.0000375400000000, -0.0008619700000000, 0.0000567400000000 ] - [ 0.0006292600000000, -0.0019706400000000, -0.0016919900000000 ] - [ -0.0006292600000000, -0.0019706400000000, -0.0016919900000000 ] - [ -0.0043198200000000, 0.0058154200000000, 0.0029757600000000 ] - [ 0.0043198200000000, 0.0058154200000000, 0.0029757600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003200000000, -0.0006270100000000, -0.0000139900000000 ] - [ 0.0000028700000000, -0.0006506900000000, 0.0000131600000000 ] - [ -0.0000417900000000, -0.0001050800000000, -0.0001794000000000 ] - [ -0.0000373100000000, -0.0001988100000000, -0.0001113300000000 ] - [ 0.0000967800000000, 0.0018527300000000, 0.0004429900000000 ] - [ 0.0001078100000000, -0.0021448900000000, -0.0001584500000000 ] - [ 0.0179576000000000, 0.0156785000000000, -0.0041157200000000 ] - [ 0.0190141700000000, -0.0166413200000000, 0.0040253000000000 ] - [ -0.0000228400000000, 0.0005663900000000, 0.0001372600000000 ] - [ -0.0000156100000000, -0.0005607500000000, -0.0001286100000000 ] - [ 0.0006938800000000, 0.0001526600000000, 0.0001299500000000 ] - [ -0.0007206400000000, 0.0001440500000000, 0.0001394300000000 ] - [ 0.0001704200000000, -0.0000562300000000, 0.0001926100000000 ] - [ -0.0001713100000000, -0.0000582600000000, 0.0001916900000000 ] - [ 0.0079223800000000, 0.0000596600000000, -0.0000571100000000 ] - [ -0.0051010900000000, -0.0000495700000000, 0.0000116200000000 ] - [ 0.0027721300000000, 0.0006302700000000, -0.0000055500000000 ] - [ -0.0030016700000000, 0.0006323800000000, -0.0000161200000000 ] - [ -0.0003715600000000, 0.0002046200000000, -0.0026342400000000 ] - [ -0.0003363700000000, -0.0001268500000000, 0.0030352800000000 ] - [ 0.0000412200000000, -0.0000581100000000, -0.0001922700000000 ] - [ -0.0000412100000000, -0.0000586200000000, -0.0001914300000000 ] - [ 0.0124834600000000, 0.0001784400000000, -0.0001064800000000 ] - [ -0.0055111600000000, 0.0001216900000000, -0.0001516400000000 ] - [ 0.0034734300000000, -0.0006391700000000, 0.0000058500000000 ] - [ -0.0033408000000000, -0.0006309100000000, 0.0000111800000000 ] - [ 0.0000683900000000, -0.0001505400000000, -0.0001393200000000 ] - [ -0.0000676200000000, -0.0001505300000000, -0.0001392400000000 ] - [ 0.0000347200000000, -0.0001479600000000, 0.0001409500000000 ] - [ -0.0000291500000000, -0.0001479000000000, 0.0001410700000000 ] - [ -0.0000013200000000, 0.0000749300000000, -0.0001877700000000 ] - [ 0.0000016600000000, 0.0000749500000000, -0.0001878700000000 ] - [ 0.0000083100000000, 0.0000118500000000, -0.0000019800000000 ] - [ -0.0000035500000000, 0.0000115600000000, -0.0000018600000000 ] - [ -0.0000001600000000, 0.0001620700000000, 0.0001414500000000 ] - [ 0.0000003300000000, 0.0001638200000000, 0.0001426600000000 ] - [ -0.0000018600000000, -0.0011607500000000, 0.0008614700000000 ] - [ 0.0000030500000000, 0.0010715200000000, -0.0005010300000000 ] - [ 0.0000000500000000, -0.0000083300000000, -0.0000002200000000 ] - [ 0.0000001900000000, 0.0000203900000000, 0.0000011500000000 ] - [ -0.0000007300000000, 0.0006579300000000, 0.0000001400000000 ] - [ 0.0000008200000000, 0.0006492100000000, 0.0000007200000000 ] - [ 0.0000002200000000, 0.0000743400000000, 0.0001876400000000 ] - [ 0.0000001400000000, 0.0000743200000000, 0.0001877200000000 ] - [ -0.0000012600000000, -0.0001849000000000, -0.0003765600000000 ] - [ -0.0000010500000000, 0.0000494100000000, -0.0000007800000000 ] - [ -0.0000000700000000, 0.0001597900000000, -0.0001418400000000 ] - [ 0.0000006100000000, 0.0001665700000000, -0.0001429300000000 ] - [ -0.0000238100000000, 0.0009599800000000, 0.0026595900000000 ] - [ -0.0000339700000000, -0.0025755300000000, -0.0026697800000000 ] - [ 0.0001573500000000, 0.0008043600000000, -0.0000018300000000 ] - [ 0.0000823600000000, 0.0007989000000000, 0.0000000000000000 ] - [ 0.0000003900000000, -0.0007929600000000, 0.0000000900000000 ] - [ -0.0000000900000000, -0.0007929300000000, -0.0000001300000000 ] - [ -0.0000019300000000, 0.0007979400000000, 0.0000702300000000 ] - [ -0.0000021500000000, 0.0008027000000000, -0.0000661400000000 ] - [ -0.0002075000000000, -0.0015278900000000, -0.0005149400000000 ] - [ -0.0002301500000000, 0.0024874000000000, 0.0005081300000000 ] - [ -0.0002466200000000, 0.0000645900000000, -0.0016412000000000 ] - [ -0.0002481900000000, 0.0000747200000000, 0.0018347000000000 ] - [ 0.0000246100000000, -0.0000623300000000, -0.0000888000000000 ] - [ -0.0000749300000000, -0.0000595300000000, -0.0000915300000000 ] - [ -0.0002889300000000, -0.0004963900000000, 0.0000021400000000 ] - [ 0.0005627200000000, -0.0004626400000000, 0.0000021800000000 ] - [ -0.0005687500000000, -0.0000644500000000, 0.0000902100000000 ] - [ 0.0003896300000000, -0.0000597400000000, 0.0000921900000000 ] - [ 0.0014096600000000, -0.0034693300000000, -0.0097095200000000 ] - [ 0.0013715200000000, 0.0036412700000000, 0.0096156900000000 ] - [ -0.0000007000000000, 0.0004565400000000, -0.0000000800000000 ] - [ 0.0000011200000000, 0.0004586000000000, -0.0000000100000000 ] - [ 0.0000003400000000, 0.0000504900000000, 0.0000928400000000 ] - [ -0.0000001600000000, 0.0000492600000000, 0.0000951000000000 ] - [ 0.0000077800000000, 0.0001231100000000, -0.0001322800000000 ] - [ 0.0000074800000000, -0.0002424000000000, -0.0000604200000000 ] - [ 0.0000000400000000, -0.0004142500000000, -0.0000255500000000 ] - [ 0.0000000600000000, -0.0005260800000000, 0.0000230200000000 ] - [ 0.0000072000000000, -0.0000532500000000, -0.0000098300000000 ] - [ 0.0000066100000000, -0.0000715000000000, 0.0001894900000000 ] - [ 0.0000001100000000, 0.0000503600000000, -0.0000928700000000 ] - [ -0.0000002100000000, 0.0000493600000000, -0.0000946400000000 ] - [ -0.0818969800000000, 0.0009417200000000, -0.0004472300000000 ] - [ 0.0182714500000000, 0.0000076600000000, -0.0000820500000000 ] - [ 0.0047606800000000, -0.0094353600000000, -0.0007027300000000 ] - [ 0.0046917500000000, 0.0096912200000000, 0.0007247800000000 ] - [ 0.0001267600000000, 0.0057391200000000, 0.0058505300000000 ] - [ 0.0001122500000000, -0.0061318700000000, -0.0059268000000000 ] - [ -0.0003548800000000, -0.0000148300000000, -0.0002209600000000 ] - [ -0.0003885000000000, 0.0002373300000000, 0.0002231900000000 ] - [ -0.0007528800000000, -0.0001433200000000, -0.0000123300000000 ] - [ 0.0008550700000000, -0.0001067000000000, -0.0000148700000000 ] - [ -0.0001584800000000, -0.0001108700000000, 0.0000123600000000 ] - [ 0.0001827100000000, -0.0001089500000000, 0.0000132100000000 ] - [ -0.0035077800000000, -0.0000362600000000, 0.0001267200000000 ] - [ 0.0016281900000000, -0.0000519200000000, 0.0000679000000000 ] - [ 0.0000078000000000, 0.0000159900000000, -0.0001631700000000 ] - [ 0.0000074600000000, 0.0001030900000000, 0.0000126100000000 ] - [ -0.0000100800000000, 0.0001771300000000, -0.0000003900000000 ] - [ 0.0000091000000000, 0.0001774800000000, -0.0000002200000000 ] - [ 0.0000062100000000, -0.0002590800000000, -0.0001786500000000 ] - [ 0.0000018300000000, 0.0003758900000000, 0.0003273300000000 ] - [ -0.0000013200000000, 0.0000031300000000, 0.0000042200000000 ] - [ -0.0000018000000000, -0.0000157900000000, -0.0000041500000000 ] - [ -0.0000004500000000, -0.0000060100000000, -0.0000042800000000 ] - [ -0.0000008200000000, -0.0000054900000000, 0.0000045300000000 ] - [ 0.0000003800000000, -0.0000679400000000, -0.0000763000000000 ] - [ -0.0000001000000000, -0.0000709800000000, -0.0000734000000000 ] - [ -0.0000074400000000, 0.0001060700000000, 0.0000125800000000 ] - [ 0.0000076100000000, 0.0001060500000000, 0.0000124600000000 ] - [ 0.0000230800000000, -0.0001904300000000, 0.0000002600000000 ] - [ -0.0000271800000000, -0.0001903100000000, -0.0000000900000000 ] - [ -0.0000039400000000, 0.0001067200000000, -0.0000127500000000 ] - [ 0.0000039500000000, 0.0001067100000000, -0.0000127600000000 ] - [ 0.0000040100000000, -0.0001035600000000, -0.0000113000000000 ] - [ 0.0000038800000000, -0.0001303400000000, -0.0000100700000000 ] - [ -0.0000003400000000, -0.0001131200000000, 0.0000146800000000 ] - [ -0.0000004100000000, -0.0001178300000000, 0.0000079800000000 ] - [ 0.0000003300000000, -0.0000674300000000, 0.0000768000000000 ] - [ 0.0000001100000000, -0.0000713200000000, 0.0000728600000000 ] - [ -0.0000187200000000, 0.0000622700000000, -0.0000754900000000 ] - [ 0.0000197300000000, 0.0000622500000000, -0.0000755000000000 ] - [ 0.0000670200000000, 0.0003345800000000, -0.0000564400000000 ] - [ 0.0000667600000000, 0.0000442900000000, 0.0000704400000000 ] - [ 0.0005477100000000, 0.0000544100000000, 0.0000780100000000 ] - [ -0.0003624700000000, 0.0000545000000000, 0.0000781200000000 ] - [ -0.0090225600000000, -0.0000140300000000, 0.0000135900000000 ] - [ 0.0170255000000000, -0.0000450800000000, 0.0000260800000000 ] - [ -0.0006756600000000, 0.0000081700000000, -0.0000012900000000 ] - [ 0.0006257200000000, 0.0000077600000000, -0.0000016200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002757300000000, -0.0028745900000000, 0.0001111300000000 ] - [ -0.0002757300000000, -0.0028745900000000, 0.0001111300000000 ] - [ 0.0004990800000000, -0.0015246100000000, 0.0013439300000000 ] - [ -0.0004990800000000, -0.0015246100000000, 0.0013439300000000 ] - [ 0.0008883300000000, -0.0038593000000000, -0.0008428500000000 ] - [ -0.0008883300000000, -0.0038593000000000, -0.0008428500000000 ] - [ 0.0150397200000000, 0.0252731800000000, -0.0014008100000000 ] - [ -0.0150397200000000, 0.0252731800000000, -0.0014008100000000 ] - [ 0.0004268500000000, 0.0005615100000000, -0.0010425100000000 ] - [ -0.0004268500000000, 0.0005615100000000, -0.0010425100000000 ] - [ 0.0000000000000000, 0.0035359700000000, 0.0030734600000000 ] - [ 0.0000000000000000, 0.0039684500000000, 0.0016160700000000 ] - [ 0.0000000000000000, -0.0026385600000000, -0.0007817300000000 ] - [ 0.0000000000000000, -0.0022671900000000, -0.0004935700000000 ] - [ 0.0000000000000000, 0.0124934200000000, -0.0038645200000000 ] - [ 0.0000000000000000, 0.0078965500000000, 0.0006066800000000 ] - [ 0.0000000000000000, 0.0037251200000000, 0.0030587200000000 ] - [ 0.0000000000000000, 0.0037749700000000, 0.0025249800000000 ] - [ 0.0003902100000000, 0.0058886800000000, -0.0033071800000000 ] - [ -0.0003902100000000, 0.0058886800000000, -0.0033071800000000 ] - [ 0.0000000000000000, -0.0021272400000000, 0.0006443600000000 ] - [ 0.0000000000000000, -0.0020127300000000, 0.0004274000000000 ] - [ 0.0000000000000000, 0.0133148900000000, -0.0005461000000000 ] - [ 0.0000000000000000, 0.0085503700000000, -0.0018032900000000 ] - [ 0.0000000000000000, -0.0048093300000000, -0.0023658100000000 ] - [ 0.0000000000000000, -0.0035350300000000, -0.0019531800000000 ] - [ 0.0000000000000000, -0.0017336400000000, -0.0006808100000000 ] - [ 0.0000000000000000, -0.0017365600000000, -0.0006819400000000 ] - [ 0.0000000000000000, -0.0024480600000000, 0.0002048400000000 ] - [ 0.0000000000000000, -0.0024395600000000, 0.0002163100000000 ] - [ 0.0000000000000000, -0.0024274200000000, -0.0006711100000000 ] - [ 0.0000000000000000, -0.0023966900000000, -0.0006590700000000 ] - [ 0.0000000000000000, -0.0023215300000000, 0.0006013900000000 ] - [ 0.0000000000000000, -0.0023090700000000, 0.0005922700000000 ] - [ 0.0000006400000000, -0.0016605400000000, -0.0000466100000000 ] - [ -0.0000006400000000, -0.0016605400000000, -0.0000466100000000 ] - [ 0.0000147600000000, -0.0040724100000000, 0.0021576900000000 ] - [ -0.0000147600000000, -0.0040724100000000, 0.0021576900000000 ] - [ -0.0000007900000000, -0.0025193500000000, -0.0000615400000000 ] - [ 0.0000007900000000, -0.0025193500000000, -0.0000615400000000 ] - [ 0.0000248700000000, -0.0013569200000000, -0.0000199300000000 ] - [ -0.0000248700000000, -0.0013569200000000, -0.0000199300000000 ] - [ 0.0000000000000000, -0.0023399600000000, 0.0006835300000000 ] - [ 0.0000000000000000, -0.0023133800000000, 0.0006735900000000 ] - [ -0.0000032800000000, 0.0001788200000000, -0.0005084700000000 ] - [ 0.0000032800000000, 0.0001788200000000, -0.0005084700000000 ] - [ 0.0000009200000000, -0.0018089300000000, 0.0000696800000000 ] - [ -0.0000009200000000, -0.0018089300000000, 0.0000696800000000 ] - [ -0.0003367100000000, 0.0032473500000000, 0.0019386100000000 ] - [ 0.0003367100000000, 0.0032473500000000, 0.0019386100000000 ] - [ 0.0000000000000000, -0.0013836000000000, 0.0005710000000000 ] - [ 0.0000000000000000, -0.0001956900000000, 0.0000815400000000 ] - [ 0.0000000000000000, -0.0017784300000000, 0.0000084900000000 ] - [ 0.0000000000000000, -0.0017764000000000, 0.0000083500000000 ] - [ -0.0000037200000000, -0.0002725900000000, -0.0005645300000000 ] - [ 0.0000037200000000, -0.0002725900000000, -0.0005645300000000 ] - [ -0.0027518500000000, -0.0038321400000000, 0.0015506600000000 ] - [ 0.0027518500000000, -0.0038321400000000, 0.0015506600000000 ] - [ 0.0000964500000000, -0.0032796100000000, -0.0005661100000000 ] - [ -0.0000964500000000, -0.0032796100000000, -0.0005661100000000 ] - [ 0.0000000000000000, 0.0019432700000000, -0.0012693100000000 ] - [ 0.0000000000000000, 0.0012651100000000, -0.0006175300000000 ] - [ 0.0000000000000000, 0.0070722700000000, -0.0002444400000000 ] - [ 0.0000000000000000, 0.0002717500000000, -0.0007570700000000 ] - [ 0.0000000000000000, 0.0026279700000000, 0.0007442800000000 ] - [ 0.0000000000000000, 0.0014095900000000, 0.0001960300000000 ] - [ -0.0008239900000000, -0.0094543700000000, -0.0073842800000000 ] - [ 0.0008239900000000, -0.0094543700000000, -0.0073842800000000 ] - [ 0.0000000000000000, 0.0021873300000000, -0.0000350300000000 ] - [ 0.0000000000000000, 0.0021830600000000, -0.0000348900000000 ] - [ 0.0000000000000000, 0.0014673600000000, -0.0001730600000000 ] - [ 0.0000000000000000, 0.0014626500000000, -0.0001701500000000 ] - [ -0.0000244300000000, 0.0011848100000000, 0.0008374200000000 ] - [ 0.0000244300000000, 0.0011848100000000, 0.0008374200000000 ] - [ 0.0000057600000000, 0.0013434400000000, 0.0003182500000000 ] - [ -0.0000057600000000, 0.0013434400000000, 0.0003182500000000 ] - [ -0.0000215800000000, 0.0018824700000000, 0.0008172100000000 ] - [ 0.0000215800000000, 0.0018824700000000, 0.0008172100000000 ] - [ 0.0000000000000000, 0.0014967900000000, 0.0001633800000000 ] - [ 0.0000000000000000, 0.0014933800000000, 0.0001619300000000 ] - [ 0.0000000000000000, -0.0864961900000000, 0.0149395900000000 ] - [ 0.0000000000000000, -0.0173194900000000, 0.0033694900000000 ] - [ -0.0118223300000000, 0.0075861500000000, 0.0026157300000000 ] - [ 0.0118223300000000, 0.0075861500000000, 0.0026157300000000 ] - [ 0.0012211600000000, 0.0027502900000000, 0.0062901800000000 ] - [ -0.0012211600000000, 0.0027502900000000, 0.0062901800000000 ] - [ -0.0046892000000000, -0.0000634700000000, -0.0045101900000000 ] - [ 0.0046892000000000, -0.0000634700000000, -0.0045101900000000 ] - [ 0.0000000000000000, 0.0038225000000000, 0.0012320500000000 ] - [ 0.0000000000000000, -0.0010571200000000, 0.0015501200000000 ] - [ 0.0000000000000000, -0.0009579700000000, -0.0005584800000000 ] - [ 0.0000000000000000, -0.0008109800000000, -0.0005447400000000 ] - [ 0.0000000000000000, -0.0094749900000000, -0.0032192700000000 ] - [ 0.0000000000000000, -0.0045012800000000, 0.0002646900000000 ] - [ -0.0000437300000000, 0.0009944200000000, -0.0002719900000000 ] - [ 0.0000437300000000, 0.0009944200000000, -0.0002719900000000 ] - [ 0.0000000000000000, 0.0019755100000000, 0.0000920300000000 ] - [ 0.0000000000000000, 0.0018639100000000, 0.0000768600000000 ] - [ -0.0003174900000000, 0.0013346300000000, 0.0007154400000000 ] - [ 0.0003174900000000, 0.0013346300000000, 0.0007154400000000 ] - [ -0.0000494100000000, 0.0016960900000000, 0.0000437600000000 ] - [ 0.0000494100000000, 0.0016960900000000, 0.0000437600000000 ] - [ -0.0000404900000000, 0.0015690000000000, -0.0000769000000000 ] - [ 0.0000404900000000, 0.0015690000000000, -0.0000769000000000 ] - [ -0.0000015400000000, 0.0016404300000000, -0.0002903200000000 ] - [ 0.0000015400000000, 0.0016404300000000, -0.0002903200000000 ] - [ 0.0000000000000000, 0.0015844900000000, -0.0001553900000000 ] - [ 0.0000000000000000, 0.0015809200000000, -0.0001557400000000 ] - [ 0.0000000000000000, 0.0017463400000000, -0.0000294400000000 ] - [ 0.0000000000000000, 0.0016936800000000, -0.0000115300000000 ] - [ 0.0000000000000000, 0.0014136400000000, 0.0002276700000000 ] - [ 0.0000000000000000, 0.0014121900000000, 0.0002281200000000 ] - [ 0.0000043800000000, 0.0014062200000000, -0.0003260700000000 ] - [ -0.0000043800000000, 0.0014062200000000, -0.0003260700000000 ] - [ 0.0000027200000000, 0.0010670400000000, 0.0001817300000000 ] - [ -0.0000027200000000, 0.0010670400000000, 0.0001817300000000 ] - [ -0.0000019500000000, 0.0015887400000000, 0.0003055400000000 ] - [ 0.0000019500000000, 0.0015887400000000, 0.0003055400000000 ] - [ 0.0000000000000000, 0.0005429600000000, -0.0000368700000000 ] - [ 0.0000000000000000, 0.0005460900000000, -0.0000361800000000 ] - [ 0.0000703100000000, -0.0015008400000000, -0.0015005800000000 ] - [ -0.0000703100000000, -0.0015008400000000, -0.0015005800000000 ] - [ 0.0000000000000000, 0.0026624100000000, -0.0006757800000000 ] - [ 0.0000000000000000, 0.0025803400000000, -0.0006741200000000 ] - [ 0.0000000000000000, 0.0067200600000000, -0.0040351600000000 ] - [ 0.0000000000000000, 0.0101306800000000, -0.0053069600000000 ] - [ 0.0000000000000000, -0.0014886900000000, 0.0006531000000000 ] - [ 0.0000000000000000, -0.0015464000000000, 0.0005977400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002753500000000, 0.0015742200000000, -0.0001117900000000 ] - [ 0.0002753500000000, 0.0015742200000000, -0.0001117900000000 ] - [ -0.0004963900000000, 0.0011980800000000, -0.0016207700000000 ] - [ 0.0004963900000000, 0.0011980800000000, -0.0016207700000000 ] - [ -0.0008856400000000, 0.0035276200000000, 0.0011210900000000 ] - [ 0.0008856400000000, 0.0035276200000000, 0.0011210900000000 ] - [ -0.0158602200000000, -0.0256327000000000, 0.0012384900000000 ] - [ 0.0158602200000000, -0.0256327000000000, 0.0012384900000000 ] - [ -0.0004258100000000, -0.0005496000000000, 0.0010409500000000 ] - [ 0.0004258100000000, -0.0005496000000000, 0.0010409500000000 ] - [ 0.0000000000000000, -0.0031888200000000, -0.0027615000000000 ] - [ 0.0000000000000000, -0.0036330500000000, -0.0013111600000000 ] - [ 0.0000000000000000, 0.0025032400000000, 0.0011575300000000 ] - [ 0.0000000000000000, 0.0021339300000000, 0.0008702900000000 ] - [ 0.0000000000000000, -0.0117509400000000, 0.0031731100000000 ] - [ 0.0000000000000000, -0.0078643600000000, -0.0006119900000000 ] - [ 0.0000000000000000, -0.0024451400000000, -0.0030603800000000 ] - [ 0.0000000000000000, -0.0024940300000000, -0.0025262600000000 ] - [ -0.0004076600000000, -0.0057712000000000, 0.0036771300000000 ] - [ 0.0004076600000000, -0.0057712000000000, 0.0036771300000000 ] - [ 0.0000000000000000, 0.0019931700000000, -0.0010193500000000 ] - [ 0.0000000000000000, 0.0018793700000000, -0.0008037200000000 ] - [ 0.0000000000000000, -0.0125581900000000, 0.0007165700000000 ] - [ 0.0000000000000000, -0.0081847700000000, 0.0014986300000000 ] - [ 0.0000000000000000, 0.0035191700000000, 0.0023758400000000 ] - [ 0.0000000000000000, 0.0022368100000000, 0.0019530900000000 ] - [ 0.0000000000000000, 0.0014139900000000, 0.0003941500000000 ] - [ 0.0000000000000000, 0.0014168700000000, 0.0003960100000000 ] - [ 0.0000000000000000, 0.0021287900000000, 0.0000819000000000 ] - [ 0.0000000000000000, 0.0021200500000000, 0.0000707500000000 ] - [ 0.0000000000000000, 0.0025563900000000, 0.0002922900000000 ] - [ 0.0000000000000000, 0.0025262100000000, 0.0002795800000000 ] - [ 0.0000000000000000, 0.0023214300000000, -0.0006014800000000 ] - [ 0.0000000000000000, 0.0023081900000000, -0.0005917100000000 ] - [ -0.0000008200000000, 0.0019755900000000, 0.0003322000000000 ] - [ 0.0000008200000000, 0.0019755900000000, 0.0003322000000000 ] - [ -0.0000057500000000, 0.0039497700000000, -0.0017859600000000 ] - [ 0.0000057500000000, 0.0039497700000000, -0.0017859600000000 ] - [ 0.0000002000000000, 0.0025137100000000, 0.0000615300000000 ] - [ -0.0000002000000000, 0.0025137100000000, 0.0000615300000000 ] - [ -0.0000258900000000, 0.0026507600000000, 0.0000207800000000 ] - [ 0.0000258900000000, 0.0026507600000000, 0.0000207800000000 ] - [ 0.0000000000000000, 0.0024683400000000, -0.0003049200000000 ] - [ 0.0000000000000000, 0.0024419300000000, -0.0002944300000000 ] - [ 0.0000032600000000, -0.0003174400000000, 0.0001308500000000 ] - [ -0.0000032600000000, -0.0003174400000000, 0.0001308500000000 ] - [ -0.0000008100000000, 0.0021235500000000, -0.0003558000000000 ] - [ 0.0000008100000000, 0.0021235500000000, -0.0003558000000000 ] - [ 0.0003403900000000, -0.0048140800000000, -0.0019175500000000 ] - [ -0.0003403900000000, -0.0048140800000000, -0.0019175500000000 ] - [ 0.0000000000000000, 0.0029708900000000, -0.0005759700000000 ] - [ 0.0000000000000000, 0.0017852500000000, -0.0000825300000000 ] - [ 0.0000000000000000, 0.0001839600000000, -0.0000085500000000 ] - [ 0.0000000000000000, 0.0001823900000000, -0.0000077800000000 ] - [ 0.0000035600000000, 0.0018644000000000, 0.0005653000000000 ] - [ -0.0000035600000000, 0.0018644000000000, 0.0005653000000000 ] - [ 0.0027379400000000, 0.0047381700000000, -0.0015498800000000 ] - [ -0.0027379400000000, 0.0047381700000000, -0.0015498800000000 ] - [ -0.0000983000000000, 0.0033811600000000, 0.0007419100000000 ] - [ 0.0000983000000000, 0.0033811600000000, 0.0007419100000000 ] - [ 0.0000000000000000, -0.0020433300000000, 0.0010782200000000 ] - [ 0.0000000000000000, -0.0013689700000000, 0.0004285300000000 ] - [ 0.0000000000000000, -0.0079738800000000, 0.0002573100000000 ] - [ 0.0000000000000000, -0.0011955300000000, 0.0007564300000000 ] - [ 0.0000000000000000, -0.0027284700000000, -0.0005542000000000 ] - [ 0.0000000000000000, -0.0015133700000000, -0.0000073300000000 ] - [ 0.0008607800000000, 0.0095438600000000, 0.0071548600000000 ] - [ -0.0008607800000000, 0.0095438600000000, 0.0071548600000000 ] - [ 0.0000000000000000, -0.0012549800000000, 0.0000346500000000 ] - [ 0.0000000000000000, -0.0012503600000000, 0.0000346700000000 ] - [ 0.0000000000000000, -0.0013579600000000, 0.0003596400000000 ] - [ 0.0000000000000000, -0.0013539500000000, 0.0003572700000000 ] - [ 0.0000243600000000, -0.0012884100000000, -0.0010266400000000 ] - [ -0.0000243600000000, -0.0012884100000000, -0.0010266400000000 ] - [ -0.0000057400000000, -0.0022705900000000, -0.0003183700000000 ] - [ 0.0000057400000000, -0.0022705900000000, -0.0003183700000000 ] - [ 0.0000210600000000, -0.0019875400000000, -0.0006307000000000 ] - [ -0.0000210600000000, -0.0019875400000000, -0.0006307000000000 ] - [ 0.0000000000000000, -0.0013873400000000, -0.0003503300000000 ] - [ 0.0000000000000000, -0.0013848300000000, -0.0003494400000000 ] - [ 0.0000000000000000, 0.0861151400000000, -0.0152977100000000 ] - [ 0.0000000000000000, 0.0172153900000000, -0.0035319900000000 ] - [ 0.0117125300000000, -0.0073286500000000, -0.0025592800000000 ] - [ -0.0117125300000000, -0.0073286500000000, -0.0025592800000000 ] - [ -0.0012319700000000, -0.0031115200000000, -0.0062991700000000 ] - [ 0.0012319700000000, -0.0031115200000000, -0.0062991700000000 ] - [ 0.0046462400000000, 0.0002849700000000, 0.0044533100000000 ] - [ -0.0046462400000000, 0.0002849700000000, 0.0044533100000000 ] - [ 0.0000000000000000, -0.0040588700000000, -0.0012391900000000 ] - [ 0.0000000000000000, 0.0008295100000000, -0.0015641200000000 ] - [ 0.0000000000000000, 0.0007269500000000, 0.0005733600000000 ] - [ 0.0000000000000000, 0.0005844500000000, 0.0005607300000000 ] - [ 0.0000000000000000, 0.0092993000000000, 0.0034251400000000 ] - [ 0.0000000000000000, 0.0043555800000000, -0.0001162600000000 ] - [ 0.0000436100000000, -0.0008657100000000, 0.0001207500000000 ] - [ -0.0000436100000000, -0.0008657100000000, 0.0001207500000000 ] - [ 0.0000000000000000, -0.0016062100000000, -0.0000924600000000 ] - [ 0.0000000000000000, -0.0014944100000000, -0.0000769200000000 ] - [ 0.0003176100000000, -0.0012064300000000, -0.0005644900000000 ] - [ -0.0003176100000000, -0.0012064300000000, -0.0005644900000000 ] - [ 0.0000492000000000, -0.0016936900000000, -0.0000432800000000 ] - [ -0.0000492000000000, -0.0016936900000000, -0.0000432800000000 ] - [ 0.0000402400000000, -0.0015666500000000, 0.0000763100000000 ] - [ -0.0000402400000000, -0.0015666500000000, 0.0000763100000000 ] - [ 0.0000015300000000, -0.0017663300000000, 0.0001412200000000 ] - [ -0.0000015300000000, -0.0017663300000000, 0.0001412200000000 ] - [ 0.0000000000000000, -0.0013588300000000, 0.0001768400000000 ] - [ 0.0000000000000000, -0.0013557500000000, 0.0001772000000000 ] - [ 0.0000000000000000, -0.0021097300000000, 0.0000297500000000 ] - [ 0.0000000000000000, -0.0020573700000000, 0.0000115200000000 ] - [ 0.0000000000000000, -0.0011879800000000, -0.0002494700000000 ] - [ 0.0000000000000000, -0.0011863000000000, -0.0002498200000000 ] - [ -0.0000042900000000, -0.0016275000000000, 0.0003037200000000 ] - [ 0.0000042900000000, -0.0016275000000000, 0.0003037200000000 ] - [ -0.0000026000000000, -0.0012874400000000, -0.0001595100000000 ] - [ 0.0000026000000000, -0.0012874400000000, -0.0001595100000000 ] - [ 0.0000020500000000, -0.0017147100000000, -0.0001562800000000 ] - [ -0.0000020500000000, -0.0017147100000000, -0.0001562800000000 ] - [ 0.0000000000000000, -0.0004097400000000, -0.0001114700000000 ] - [ 0.0000000000000000, -0.0004136400000000, -0.0001121100000000 ] - [ -0.0000740900000000, 0.0018756900000000, 0.0015038600000000 ] - [ 0.0000740900000000, 0.0018756900000000, 0.0015038600000000 ] - [ 0.0000000000000000, -0.0025333100000000, 0.0008248900000000 ] - [ 0.0000000000000000, -0.0024521000000000, 0.0008238400000000 ] - [ 0.0000000000000000, -0.0067783500000000, 0.0040734600000000 ] - [ 0.0000000000000000, -0.0101307200000000, 0.0053042300000000 ] - [ 0.0000000000000000, 0.0014939900000000, -0.0006533500000000 ] - [ 0.0000000000000000, 0.0015521300000000, -0.0005990100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002415900000000, -0.0002101800000000, 0.0000695300000000 ] - [ 0.0002415900000000, -0.0002101800000000, 0.0000695300000000 ] - [ -0.0006495800000000, 0.0011555200000000, -0.0014940200000000 ] - [ 0.0006495800000000, 0.0011555200000000, -0.0014940200000000 ] - [ 0.0000747600000000, -0.0003563200000000, 0.0023071700000000 ] - [ -0.0000747600000000, -0.0003563200000000, 0.0023071700000000 ] - [ -0.0058187400000000, -0.0044679400000000, 0.0101257600000000 ] - [ 0.0058187400000000, -0.0044679400000000, 0.0101257600000000 ] - [ 0.0005757800000000, -0.0018365400000000, -0.0013030300000000 ] - [ -0.0005757800000000, -0.0018365400000000, -0.0013030300000000 ] - [ 0.0000000000000000, 0.0014164600000000, -0.0062459300000000 ] - [ 0.0000000000000000, -0.0004210800000000, -0.0036855800000000 ] - [ 0.0000000000000000, -0.0003369700000000, 0.0008015000000000 ] - [ 0.0000000000000000, -0.0002039200000000, 0.0004849000000000 ] - [ 0.0000000000000000, 0.0020131400000000, 0.0127457200000000 ] - [ 0.0000000000000000, 0.0009363700000000, 0.0022948500000000 ] - [ 0.0000000000000000, 0.0023889200000000, -0.0028439100000000 ] - [ 0.0000000000000000, 0.0021789800000000, -0.0014230800000000 ] - [ -0.0042419200000000, -0.0036472800000000, -0.0045625200000000 ] - [ 0.0042419200000000, -0.0036472800000000, -0.0045625200000000 ] - [ 0.0000000000000000, 0.0002352600000000, -0.0007757000000000 ] - [ 0.0000000000000000, 0.0000892200000000, -0.0005342700000000 ] - [ 0.0000000000000000, -0.0030362900000000, 0.0163740600000000 ] - [ 0.0000000000000000, -0.0027575500000000, 0.0023141100000000 ] - [ 0.0000000000000000, -0.0020410900000000, 0.0006276900000000 ] - [ 0.0000000000000000, -0.0010766400000000, 0.0006195000000000 ] - [ 0.0000000000000000, -0.0000501700000000, -0.0001419800000000 ] - [ 0.0000000000000000, -0.0000491300000000, -0.0001446500000000 ] - [ 0.0000000000000000, 0.0001868400000000, 0.0003027400000000 ] - [ 0.0000000000000000, 0.0001863700000000, 0.0002984400000000 ] - [ 0.0000000000000000, 0.0004076500000000, -0.0000518500000000 ] - [ 0.0000000000000000, 0.0003773600000000, -0.0000629000000000 ] - [ 0.0000000000000000, 0.0004400100000000, -0.0002013400000000 ] - [ 0.0000000000000000, 0.0004388600000000, -0.0002013800000000 ] - [ -0.0000008800000000, 0.0003919700000000, 0.0001438500000000 ] - [ 0.0000008800000000, 0.0003919700000000, 0.0001438500000000 ] - [ 0.0000500500000000, 0.0014432800000000, 0.0004250100000000 ] - [ -0.0000500500000000, 0.0014432800000000, 0.0004250100000000 ] - [ -0.0000011100000000, 0.0003022500000000, 0.0000300100000000 ] - [ 0.0000011100000000, 0.0003022500000000, 0.0000300100000000 ] - [ -0.0000253100000000, 0.0008630500000000, -0.0000268700000000 ] - [ 0.0000253100000000, 0.0008630500000000, -0.0000268700000000 ] - [ 0.0000000000000000, 0.0004468600000000, 0.0000715400000000 ] - [ 0.0000000000000000, 0.0004234800000000, 0.0000824000000000 ] - [ -0.0000581900000000, -0.0000804700000000, -0.0009774100000000 ] - [ 0.0000581900000000, -0.0000804700000000, -0.0009774100000000 ] - [ -0.0000005900000000, 0.0004301900000000, -0.0001600000000000 ] - [ 0.0000005900000000, 0.0004301900000000, -0.0001600000000000 ] - [ -0.0005093200000000, -0.0015122000000000, -0.0036458300000000 ] - [ 0.0005093200000000, -0.0015122000000000, -0.0036458300000000 ] - [ 0.0000000000000000, 0.0024437000000000, -0.0002640900000000 ] - [ 0.0000000000000000, 0.0010761000000000, 0.0001397800000000 ] - [ 0.0000000000000000, -0.0006650800000000, -0.0000121700000000 ] - [ 0.0000000000000000, -0.0006663800000000, -0.0000115800000000 ] - [ -0.0000073700000000, 0.0008660200000000, 0.0001949800000000 ] - [ 0.0000073700000000, 0.0008660200000000, 0.0001949800000000 ] - [ -0.0023117600000000, 0.0019003100000000, 0.0037261100000000 ] - [ 0.0023117600000000, 0.0019003100000000, 0.0037261100000000 ] - [ 0.0009442400000000, -0.0003490200000000, 0.0043076600000000 ] - [ -0.0009442400000000, -0.0003490200000000, 0.0043076600000000 ] - [ 0.0000000000000000, -0.0011803900000000, 0.0005891800000000 ] - [ 0.0000000000000000, -0.0004118600000000, -0.0000904000000000 ] - [ 0.0000000000000000, -0.0086423100000000, -0.0006186500000000 ] - [ 0.0000000000000000, -0.0008755000000000, -0.0005684900000000 ] - [ 0.0000000000000000, -0.0012671400000000, -0.0011499800000000 ] - [ 0.0000000000000000, -0.0002079700000000, -0.0003092400000000 ] - [ -0.0058506400000000, -0.0005632000000000, 0.0054374900000000 ] - [ 0.0058506400000000, -0.0005632000000000, 0.0054374900000000 ] - [ 0.0000000000000000, 0.0002101900000000, 0.0000165000000000 ] - [ 0.0000000000000000, 0.0002115100000000, 0.0000164800000000 ] - [ 0.0000000000000000, -0.0001273100000000, 0.0001546800000000 ] - [ 0.0000000000000000, -0.0001230100000000, 0.0001521200000000 ] - [ -0.0000201100000000, 0.0000156000000000, -0.0000657100000000 ] - [ 0.0000201100000000, 0.0000156000000000, -0.0000657100000000 ] - [ 0.0000050600000000, -0.0006421600000000, -0.0001058800000000 ] - [ -0.0000050600000000, -0.0006421600000000, -0.0001058800000000 ] - [ -0.0000457300000000, -0.0002164400000000, -0.0004964600000000 ] - [ 0.0000457300000000, -0.0002164400000000, -0.0004964600000000 ] - [ 0.0000000000000000, -0.0001257000000000, -0.0001253600000000 ] - [ 0.0000000000000000, -0.0001226000000000, -0.0001231100000000 ] - [ 0.0000000000000000, 0.0144718600000000, -0.0541323000000000 ] - [ 0.0000000000000000, 0.0033414500000000, -0.0031441600000000 ] - [ 0.0007789500000000, 0.0005522600000000, -0.0079618800000000 ] - [ -0.0007789500000000, 0.0005522600000000, -0.0079618800000000 ] - [ 0.0012918500000000, 0.0010971700000000, -0.0020401300000000 ] - [ -0.0012918500000000, 0.0010971700000000, -0.0020401300000000 ] - [ 0.0040547600000000, -0.0011564000000000, 0.0038131500000000 ] - [ -0.0040547600000000, -0.0011564000000000, 0.0038131500000000 ] - [ 0.0000000000000000, 0.0072000100000000, -0.0010919500000000 ] - [ 0.0000000000000000, 0.0007358500000000, -0.0007613400000000 ] - [ 0.0000000000000000, -0.0003808400000000, 0.0014068900000000 ] - [ 0.0000000000000000, 0.0001535900000000, 0.0015627300000000 ] - [ 0.0000000000000000, 0.0032399100000000, 0.0159910100000000 ] - [ 0.0000000000000000, -0.0002546200000000, 0.0011877000000000 ] - [ 0.0000875700000000, 0.0002618200000000, 0.0006507800000000 ] - [ -0.0000875700000000, 0.0002618200000000, 0.0006507800000000 ] - [ 0.0000000000000000, -0.0000436600000000, 0.0000746500000000 ] - [ 0.0000000000000000, 0.0000651500000000, 0.0000855200000000 ] - [ -0.0002548600000000, 0.0007046900000000, -0.0003014500000000 ] - [ 0.0002548600000000, 0.0007046900000000, -0.0003014500000000 ] - [ 0.0000567200000000, -0.0001158700000000, -0.0001213200000000 ] - [ -0.0000567200000000, -0.0001158700000000, -0.0001213200000000 ] - [ 0.0000410200000000, -0.0002239600000000, 0.0000829600000000 ] - [ -0.0000410200000000, -0.0002239600000000, 0.0000829600000000 ] - [ 0.0000014000000000, -0.0002724400000000, -0.0000708000000000 ] - [ -0.0000014000000000, -0.0002724400000000, -0.0000708000000000 ] - [ 0.0000000000000000, -0.0000820200000000, 0.0000107700000000 ] - [ 0.0000000000000000, -0.0000848900000000, 0.0000102000000000 ] - [ 0.0000000000000000, -0.0005571200000000, -0.0000172700000000 ] - [ 0.0000000000000000, -0.0005094200000000, -0.0000234500000000 ] - [ 0.0000000000000000, -0.0000310000000000, -0.0000381800000000 ] - [ 0.0000000000000000, -0.0000315400000000, -0.0000375100000000 ] - [ 0.0000014900000000, -0.0003647100000000, -0.0000067000000000 ] - [ -0.0000014900000000, -0.0003647100000000, -0.0000067000000000 ] - [ 0.0000001400000000, -0.0002538300000000, 0.0000564600000000 ] - [ -0.0000001400000000, -0.0002538300000000, 0.0000564600000000 ] - [ 0.0000018800000000, -0.0002879800000000, 0.0000541600000000 ] - [ -0.0000018800000000, -0.0002879800000000, 0.0000541600000000 ] - [ 0.0000000000000000, 0.0000228100000000, 0.0000706900000000 ] - [ 0.0000000000000000, 0.0000214100000000, 0.0000662600000000 ] - [ 0.0002233900000000, -0.0008034000000000, 0.0005746900000000 ] - [ -0.0002233900000000, -0.0008034000000000, 0.0005746900000000 ] - [ 0.0000000000000000, -0.0006803000000000, 0.0001765000000000 ] - [ 0.0000000000000000, -0.0006801100000000, 0.0001706800000000 ] - [ 0.0000000000000000, -0.0026679200000000, -0.0006190400000000 ] - [ 0.0000000000000000, -0.0023529400000000, 0.0011297400000000 ] - [ 0.0000000000000000, 0.0011159600000000, 0.0010203000000000 ] - [ 0.0000000000000000, 0.0010215900000000, 0.0010814800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002428600000000, -0.0010967400000000, -0.0000708300000000 ] - [ -0.0002428600000000, -0.0010967400000000, -0.0000708300000000 ] - [ 0.0006563600000000, -0.0014860200000000, 0.0012060600000000 ] - [ -0.0006563600000000, -0.0014860200000000, 0.0012060600000000 ] - [ -0.0000618900000000, 0.0000494100000000, -0.0020148000000000 ] - [ 0.0000618900000000, 0.0000494100000000, -0.0020148000000000 ] - [ 0.0058400900000000, 0.0046864800000000, -0.0105457900000000 ] - [ -0.0058400900000000, 0.0046864800000000, -0.0105457900000000 ] - [ -0.0005691400000000, 0.0018265900000000, 0.0013042700000000 ] - [ 0.0005691400000000, 0.0018265900000000, 0.0013042700000000 ] - [ 0.0000000000000000, -0.0011103100000000, 0.0065467900000000 ] - [ 0.0000000000000000, 0.0007467800000000, 0.0039699300000000 ] - [ 0.0000000000000000, 0.0001839600000000, -0.0004277900000000 ] - [ 0.0000000000000000, 0.0000566500000000, -0.0001091400000000 ] - [ 0.0000000000000000, -0.0014905400000000, -0.0131628100000000 ] - [ 0.0000000000000000, -0.0009207800000000, -0.0023550300000000 ] - [ 0.0000000000000000, -0.0010561800000000, 0.0028575200000000 ] - [ 0.0000000000000000, -0.0008430800000000, 0.0014496200000000 ] - [ 0.0042746600000000, 0.0038438800000000, 0.0049381900000000 ] - [ -0.0042746600000000, 0.0038438800000000, 0.0049381900000000 ] - [ 0.0000000000000000, -0.0003859000000000, 0.0004029100000000 ] - [ 0.0000000000000000, -0.0002387700000000, 0.0001597900000000 ] - [ 0.0000000000000000, 0.0038644700000000, -0.0159696700000000 ] - [ 0.0000000000000000, 0.0030925000000000, -0.0025438300000000 ] - [ 0.0000000000000000, 0.0007352700000000, -0.0006442300000000 ] - [ 0.0000000000000000, -0.0002359500000000, -0.0006418600000000 ] - [ 0.0000000000000000, -0.0002715900000000, -0.0001494000000000 ] - [ 0.0000000000000000, -0.0002716100000000, -0.0001466700000000 ] - [ 0.0000000000000000, -0.0005154200000000, -0.0000156800000000 ] - [ 0.0000000000000000, -0.0005147500000000, -0.0000119500000000 ] - [ 0.0000000000000000, -0.0002801600000000, -0.0003263600000000 ] - [ 0.0000000000000000, -0.0002488700000000, -0.0003163700000000 ] - [ 0.0000000000000000, -0.0004446900000000, 0.0002071200000000 ] - [ 0.0000000000000000, -0.0004444600000000, 0.0002075200000000 ] - [ 0.0000005000000000, -0.0000832500000000, 0.0001429400000000 ] - [ -0.0000005000000000, -0.0000832500000000, 0.0001429400000000 ] - [ -0.0000410900000000, -0.0016090600000000, -0.0000333800000000 ] - [ 0.0000410900000000, -0.0016090600000000, -0.0000333800000000 ] - [ 0.0000007700000000, -0.0003186200000000, -0.0000313100000000 ] - [ -0.0000007700000000, -0.0003186200000000, -0.0000313100000000 ] - [ 0.0000244500000000, 0.0004254400000000, 0.0000276800000000 ] - [ -0.0000244500000000, 0.0004254400000000, 0.0000276800000000 ] - [ 0.0000000000000000, -0.0003203000000000, 0.0003062500000000 ] - [ 0.0000000000000000, -0.0002951400000000, 0.0002957500000000 ] - [ 0.0000591500000000, -0.0000470700000000, 0.0005986500000000 ] - [ -0.0000591500000000, -0.0000470700000000, 0.0005986500000000 ] - [ 0.0000006200000000, -0.0001235600000000, -0.0001274500000000 ] - [ -0.0000006200000000, -0.0001235600000000, -0.0001274500000000 ] - [ 0.0005054700000000, -0.0000757900000000, 0.0036377500000000 ] - [ -0.0005054700000000, -0.0000757900000000, 0.0036377500000000 ] - [ 0.0000000000000000, -0.0008521600000000, 0.0002631900000000 ] - [ 0.0000000000000000, 0.0005167500000000, -0.0001411700000000 ] - [ 0.0000000000000000, -0.0009334600000000, 0.0000122900000000 ] - [ 0.0000000000000000, -0.0009324000000000, 0.0000117300000000 ] - [ 0.0000071100000000, 0.0007232600000000, -0.0002008900000000 ] - [ -0.0000071100000000, 0.0007232600000000, -0.0002008900000000 ] - [ 0.0022842600000000, -0.0009743500000000, -0.0037078000000000 ] - [ -0.0022842600000000, -0.0009743500000000, -0.0037078000000000 ] - [ -0.0009439700000000, 0.0004437700000000, -0.0041307400000000 ] - [ 0.0009439700000000, 0.0004437700000000, -0.0041307400000000 ] - [ 0.0000000000000000, 0.0010768300000000, -0.0007744500000000 ] - [ 0.0000000000000000, 0.0003024100000000, -0.0000892400000000 ] - [ 0.0000000000000000, 0.0077849800000000, 0.0006288400000000 ] - [ 0.0000000000000000, -0.0000515800000000, 0.0005745400000000 ] - [ 0.0000000000000000, 0.0011617700000000, 0.0013375500000000 ] - [ 0.0000000000000000, 0.0000963400000000, 0.0004910300000000 ] - [ 0.0057578200000000, 0.0006256000000000, -0.0056028000000000 ] - [ -0.0057578200000000, 0.0006256000000000, -0.0056028000000000 ] - [ 0.0000000000000000, 0.0007201500000000, -0.0000177200000000 ] - [ 0.0000000000000000, 0.0007198400000000, -0.0000173400000000 ] - [ 0.0000000000000000, 0.0002479700000000, 0.0000244900000000 ] - [ 0.0000000000000000, 0.0002431500000000, 0.0000281800000000 ] - [ 0.0000195100000000, -0.0001261800000000, -0.0001079300000000 ] - [ -0.0000195100000000, -0.0001261800000000, -0.0001079300000000 ] - [ -0.0000050800000000, -0.0002726200000000, 0.0001086600000000 ] - [ 0.0000050800000000, -0.0002726200000000, 0.0001086600000000 ] - [ 0.0000448000000000, 0.0001126700000000, 0.0006854900000000 ] - [ -0.0000448000000000, 0.0001126700000000, 0.0006854900000000 ] - [ 0.0000000000000000, 0.0002465100000000, -0.0000550500000000 ] - [ 0.0000000000000000, 0.0002429800000000, -0.0000577400000000 ] - [ 0.0000000000000000, -0.0157587100000000, 0.0538906000000000 ] - [ 0.0000000000000000, -0.0035640200000000, 0.0030108800000000 ] - [ -0.0007693000000000, -0.0004158800000000, 0.0079783100000000 ] - [ 0.0007693000000000, -0.0004158800000000, 0.0079783100000000 ] - [ -0.0012955800000000, -0.0014546300000000, 0.0020944800000000 ] - [ 0.0012955800000000, -0.0014546300000000, 0.0020944800000000 ] - [ -0.0040786100000000, 0.0013818600000000, -0.0038445000000000 ] - [ 0.0040786100000000, 0.0013818600000000, -0.0038445000000000 ] - [ 0.0000000000000000, -0.0073483200000000, 0.0010542300000000 ] - [ 0.0000000000000000, -0.0009622700000000, 0.0007281700000000 ] - [ 0.0000000000000000, 0.0001698000000000, -0.0013841500000000 ] - [ 0.0000000000000000, -0.0003683500000000, -0.0015397600000000 ] - [ 0.0000000000000000, -0.0034096400000000, -0.0160123600000000 ] - [ 0.0000000000000000, 0.0001224700000000, -0.0010217900000000 ] - [ -0.0000884800000000, -0.0001273100000000, -0.0008059100000000 ] - [ 0.0000884800000000, -0.0001273100000000, -0.0008059100000000 ] - [ 0.0000000000000000, 0.0004173700000000, -0.0000755900000000 ] - [ 0.0000000000000000, 0.0003075200000000, -0.0000864400000000 ] - [ 0.0002508000000000, -0.0005716900000000, 0.0004524200000000 ] - [ -0.0002508000000000, -0.0005716900000000, 0.0004524200000000 ] - [ -0.0000570100000000, 0.0001232500000000, 0.0001209400000000 ] - [ 0.0000570100000000, 0.0001232500000000, 0.0001209400000000 ] - [ -0.0000413800000000, 0.0002318000000000, -0.0000828600000000 ] - [ 0.0000413800000000, 0.0002318000000000, -0.0000828600000000 ] - [ -0.0000012400000000, 0.0001545500000000, -0.0000860000000000 ] - [ 0.0000012400000000, 0.0001545500000000, -0.0000860000000000 ] - [ 0.0000000000000000, 0.0003094700000000, 0.0000104700000000 ] - [ 0.0000000000000000, 0.0003124700000000, 0.0000107300000000 ] - [ 0.0000000000000000, 0.0001999900000000, 0.0000170400000000 ] - [ 0.0000000000000000, 0.0001519400000000, 0.0000233700000000 ] - [ 0.0000000000000000, 0.0002566600000000, 0.0000172000000000 ] - [ 0.0000000000000000, 0.0002574700000000, 0.0000166300000000 ] - [ -0.0000013700000000, 0.0001524100000000, -0.0000172200000000 ] - [ 0.0000013700000000, 0.0001524100000000, -0.0000172200000000 ] - [ -0.0000002300000000, 0.0000380500000000, -0.0000343900000000 ] - [ 0.0000002300000000, 0.0000380500000000, -0.0000343900000000 ] - [ -0.0000017100000000, 0.0001696700000000, 0.0001024300000000 ] - [ 0.0000017100000000, 0.0001696700000000, 0.0001024300000000 ] - [ 0.0000000000000000, 0.0001010800000000, -0.0002278900000000 ] - [ 0.0000000000000000, 0.0001018600000000, -0.0002232300000000 ] - [ -0.0002210800000000, 0.0011501700000000, -0.0005904700000000 ] - [ 0.0002210800000000, 0.0011501700000000, -0.0005904700000000 ] - [ 0.0000000000000000, 0.0008240300000000, -0.0000268900000000 ] - [ 0.0000000000000000, 0.0008218600000000, -0.0000208400000000 ] - [ 0.0000000000000000, 0.0026834900000000, 0.0005886400000000 ] - [ 0.0000000000000000, 0.0024562000000000, -0.0011783400000000 ] - [ 0.0000000000000000, -0.0011346400000000, -0.0010188100000000 ] - [ 0.0000000000000000, -0.0010411100000000, -0.0010797400000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006294600000000, -0.0006425700000000, -0.0000045200000000 ] - [ -0.0006168200000000, -0.0006424400000000, -0.0000030500000000 ] - [ 0.0018648000000000, -0.0001692500000000, -0.0001470300000000 ] - [ -0.0018625100000000, -0.0001701100000000, -0.0001458900000000 ] - [ 0.0144647600000000, -0.0001240100000000, 0.0001588700000000 ] - [ -0.0054200900000000, -0.0001902500000000, 0.0001433500000000 ] - [ 0.0053944200000000, 0.0000439900000000, -0.0001864800000000 ] - [ -0.0047290100000000, 0.0000787600000000, -0.0001903200000000 ] - [ 0.0022661000000000, -0.0000153400000000, 0.0000116900000000 ] - [ -0.0021201900000000, -0.0000094600000000, 0.0000036500000000 ] - [ -0.0000307300000000, -0.0004299200000000, 0.0013622600000000 ] - [ -0.0000299400000000, 0.0007320900000000, -0.0010648500000000 ] - [ -0.0000466800000000, -0.0005669500000000, -0.0000268300000000 ] - [ -0.0000564000000000, 0.0004394200000000, 0.0004159200000000 ] - [ 0.0028052000000000, 0.0001442900000000, 0.0043964300000000 ] - [ 0.0023765000000000, -0.0002549400000000, -0.0047945100000000 ] - [ 0.0000122800000000, 0.0007318500000000, -0.0001486100000000 ] - [ 0.0000095200000000, 0.0005714700000000, 0.0001467300000000 ] - [ 0.0021955100000000, 0.0000740800000000, 0.0001914300000000 ] - [ -0.0022903900000000, 0.0000751300000000, 0.0001916700000000 ] - [ 0.0000012600000000, -0.0002837600000000, 0.0002025300000000 ] - [ 0.0000006600000000, 0.0001438600000000, -0.0005836100000000 ] - [ -0.0012388600000000, 0.0018880800000000, -0.0062161500000000 ] - [ -0.0015399300000000, -0.0017074100000000, 0.0061737600000000 ] - [ 0.0000012800000000, -0.0005028600000000, 0.0000124600000000 ] - [ 0.0000008900000000, -0.0007829300000000, -0.0000130900000000 ] - [ 0.0000004500000000, -0.0001530500000000, -0.0001425400000000 ] - [ -0.0000003100000000, -0.0001533300000000, -0.0001414300000000 ] - [ 0.0000005100000000, -0.0001526700000000, 0.0001434600000000 ] - [ 0.0000004300000000, -0.0001536100000000, 0.0001418000000000 ] - [ -0.0000005600000000, 0.0000442600000000, -0.0002046100000000 ] - [ -0.0000004900000000, 0.0001061400000000, -0.0001726800000000 ] - [ -0.0000001300000000, 0.0000073800000000, -0.0000008100000000 ] - [ 0.0000000100000000, 0.0000050700000000, 0.0000003300000000 ] - [ 0.0000015700000000, 0.0001605500000000, 0.0001430200000000 ] - [ -0.0000016000000000, 0.0001607500000000, 0.0001431300000000 ] - [ 0.0000185500000000, -0.0000649800000000, 0.0001900900000000 ] - [ -0.0000108100000000, -0.0000649300000000, 0.0001902500000000 ] - [ 0.0000008000000000, 0.0000033800000000, -0.0000004400000000 ] - [ -0.0000008900000000, 0.0000030800000000, -0.0000004200000000 ] - [ 0.0000588400000000, 0.0006511900000000, 0.0000009500000000 ] - [ -0.0000582200000000, 0.0006507100000000, 0.0000010200000000 ] - [ 0.0000019600000000, 0.0000328000000000, 0.0002055200000000 ] - [ 0.0000018700000000, 0.0001140200000000, 0.0001709500000000 ] - [ 0.0000159200000000, -0.0000644900000000, -0.0001899300000000 ] - [ -0.0000177400000000, -0.0000646100000000, -0.0001899500000000 ] - [ 0.0000026600000000, 0.0001607900000000, -0.0001428800000000 ] - [ -0.0000022700000000, 0.0001605000000000, -0.0001429600000000 ] - [ -0.0004188700000000, -0.0007940000000000, 0.0000000000000000 ] - [ 0.0013544500000000, -0.0008002500000000, -0.0000005900000000 ] - [ 0.0000819400000000, -0.0016457000000000, -0.0005981200000000 ] - [ 0.0000889900000000, 0.0032345300000000, 0.0005799400000000 ] - [ -0.0000001500000000, -0.0007960100000000, -0.0000011400000000 ] - [ -0.0000001600000000, -0.0007930900000000, 0.0000017400000000 ] - [ 0.0000010900000000, 0.0007982100000000, -0.0000002100000000 ] - [ -0.0000005500000000, 0.0007983300000000, -0.0000000900000000 ] - [ -0.0030271100000000, 0.0004739100000000, 0.0000067300000000 ] - [ 0.0056004400000000, 0.0004733300000000, 0.0000026900000000 ] - [ 0.0000528700000000, 0.0000536600000000, 0.0000936700000000 ] - [ -0.0003135000000000, 0.0000545900000000, 0.0000954800000000 ] - [ -0.0002043500000000, 0.0014533700000000, -0.0010292700000000 ] - [ -0.0002080500000000, -0.0015517600000000, 0.0008481400000000 ] - [ 0.0014488200000000, 0.0065763300000000, -0.0030138700000000 ] - [ 0.0014819700000000, -0.0074581200000000, 0.0030070200000000 ] - [ -0.0003934000000000, 0.0006643500000000, 0.0012453800000000 ] - [ -0.0003633300000000, -0.0007903000000000, -0.0010355400000000 ] - [ -0.0028725600000000, 0.0000523800000000, -0.0001011500000000 ] - [ 0.0040551900000000, 0.0000492100000000, -0.0000906600000000 ] - [ 0.0000001400000000, 0.0004648600000000, 0.0000004500000000 ] - [ 0.0000001100000000, 0.0004619400000000, -0.0000008000000000 ] - [ -0.0000005200000000, 0.0000530200000000, 0.0000959200000000 ] - [ -0.0000006300000000, 0.0000474600000000, 0.0000980100000000 ] - [ 0.0000025600000000, -0.0000558700000000, -0.0000961800000000 ] - [ -0.0000021200000000, -0.0000556100000000, -0.0000964200000000 ] - [ -0.0000011700000000, -0.0004702800000000, 0.0000001100000000 ] - [ 0.0000011700000000, -0.0004703400000000, 0.0000001000000000 ] - [ 0.0000050900000000, -0.0000557100000000, 0.0000965700000000 ] - [ -0.0000038800000000, -0.0000557300000000, 0.0000964700000000 ] - [ 0.0000004500000000, 0.0000559900000000, -0.0000923000000000 ] - [ 0.0000003600000000, 0.0000440800000000, -0.0001026400000000 ] - [ 0.0047103400000000, -0.0118693900000000, 0.0007003700000000 ] - [ 0.0047418200000000, 0.0116647100000000, -0.0008477600000000 ] - [ -0.0477246900000000, 0.0003775600000000, 0.0001604600000000 ] - [ 0.0114250700000000, 0.0001195200000000, 0.0000151100000000 ] - [ -0.0002699200000000, -0.0001873700000000, 0.0000004600000000 ] - [ 0.0002728400000000, -0.0001881600000000, 0.0000003500000000 ] - [ -0.0053268400000000, 0.0001266600000000, -0.0000141700000000 ] - [ 0.0100405500000000, 0.0001293700000000, -0.0000180900000000 ] - [ 0.0019508500000000, 0.0057280400000000, 0.0052254700000000 ] - [ 0.0019906700000000, -0.0058964600000000, -0.0052376400000000 ] - [ 0.0001212000000000, -0.0001109300000000, 0.0000477100000000 ] - [ 0.0001183300000000, -0.0000994800000000, -0.0000251300000000 ] - [ -0.0003740700000000, -0.0047491100000000, -0.0040023300000000 ] - [ -0.0003692400000000, 0.0045864900000000, 0.0041311100000000 ] - [ -0.0001585500000000, 0.0000684700000000, -0.0000750000000000 ] - [ 0.0001826800000000, 0.0000673500000000, -0.0000730400000000 ] - [ 0.0000010200000000, 0.0003169600000000, -0.0000282800000000 ] - [ 0.0000015500000000, 0.0000454000000000, 0.0000238700000000 ] - [ -0.0007528600000000, 0.0000524400000000, 0.0000449600000000 ] - [ 0.0008551300000000, 0.0000700400000000, 0.0000716900000000 ] - [ -0.0000741100000000, -0.0000039600000000, -0.0000002100000000 ] - [ 0.0000791300000000, -0.0000043700000000, -0.0000002600000000 ] - [ -0.0001418600000000, -0.0000015700000000, 0.0000007200000000 ] - [ 0.0001279800000000, -0.0000015900000000, 0.0000010400000000 ] - [ -0.0000074500000000, -0.0000680400000000, -0.0000734600000000 ] - [ 0.0000073500000000, -0.0000681000000000, -0.0000734300000000 ] - [ -0.0000000200000000, 0.0001094200000000, 0.0000113600000000 ] - [ 0.0000001500000000, 0.0001100800000000, 0.0000115500000000 ] - [ -0.0000199400000000, -0.0001152300000000, 0.0000370400000000 ] - [ -0.0000216700000000, -0.0002626500000000, -0.0000353000000000 ] - [ 0.0000000700000000, 0.0001096500000000, -0.0000115300000000 ] - [ 0.0000001200000000, 0.0001100900000000, -0.0000114500000000 ] - [ -0.0000006900000000, -0.0001150800000000, -0.0000107900000000 ] - [ 0.0000013600000000, -0.0001153700000000, -0.0000103700000000 ] - [ -0.0000009100000000, -0.0001153300000000, 0.0000107700000000 ] - [ 0.0000010200000000, -0.0001151900000000, 0.0000106500000000 ] - [ -0.0000038800000000, -0.0000675000000000, 0.0000736500000000 ] - [ 0.0000039100000000, -0.0000675300000000, 0.0000736500000000 ] - [ -0.0000003000000000, 0.0000588000000000, -0.0000740900000000 ] - [ -0.0000006300000000, 0.0000637800000000, -0.0000746300000000 ] - [ 0.0001765400000000, 0.0001815000000000, -0.0000002500000000 ] - [ -0.0001374900000000, 0.0001812000000000, -0.0000000100000000 ] - [ 0.0000039300000000, 0.0000569800000000, 0.0000727500000000 ] - [ 0.0000040000000000, 0.0000657000000000, 0.0000758400000000 ] - [ 0.0000860800000000, 0.0001465200000000, -0.0000096800000000 ] - [ 0.0000855000000000, -0.0001532000000000, 0.0000108600000000 ] - [ -0.0000105900000000, 0.0000132900000000, -0.0000038000000000 ] - [ -0.0000104300000000, -0.0000209600000000, 0.0000021400000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0027370100000000, 0.0008816100000000 ] - [ 0.0000000000000000, -0.0025220300000000, 0.0006570300000000 ] - [ 0.0000000000000000, 0.0033572000000000, 0.0024059900000000 ] - [ 0.0000000000000000, 0.0040465400000000, 0.0022245400000000 ] - [ 0.0000000000000000, 0.0282328900000000, -0.0019111900000000 ] - [ 0.0000000000000000, 0.0045897000000000, -0.0004876100000000 ] - [ 0.0000000000000000, -0.0096941000000000, 0.0011688000000000 ] - [ 0.0000000000000000, -0.0031015800000000, 0.0006723600000000 ] - [ 0.0000000000000000, 0.0053038500000000, -0.0040675300000000 ] - [ 0.0000000000000000, 0.0044768900000000, -0.0024779100000000 ] - [ -0.0003552900000000, 0.0034017900000000, 0.0000931300000000 ] - [ 0.0003552900000000, 0.0034017900000000, 0.0000931300000000 ] - [ -0.0012491700000000, -0.0023844500000000, -0.0012322900000000 ] - [ 0.0012491700000000, -0.0023844500000000, -0.0012322900000000 ] - [ 0.0007241600000000, 0.0153709300000000, -0.0028449600000000 ] - [ -0.0007241600000000, 0.0153709300000000, -0.0028449600000000 ] - [ 0.0003482100000000, -0.0004356000000000, 0.0009238400000000 ] - [ -0.0003482100000000, -0.0004356000000000, 0.0009238400000000 ] - [ 0.0000000000000000, -0.0005199200000000, -0.0007604200000000 ] - [ 0.0000000000000000, -0.0004083000000000, -0.0006599900000000 ] - [ -0.0001405200000000, -0.0005260400000000, 0.0003366300000000 ] - [ 0.0001405200000000, -0.0005260400000000, 0.0003366300000000 ] - [ 0.0023131900000000, 0.0139870200000000, 0.0036128400000000 ] - [ -0.0023131900000000, 0.0139870200000000, 0.0036128400000000 ] - [ -0.0000235800000000, -0.0025526200000000, -0.0003446900000000 ] - [ 0.0000235800000000, -0.0025526200000000, -0.0003446900000000 ] - [ 0.0000003400000000, -0.0016681400000000, -0.0003529400000000 ] - [ -0.0000003400000000, -0.0016681400000000, -0.0003529400000000 ] - [ 0.0000006800000000, -0.0017958900000000, 0.0002786500000000 ] - [ -0.0000006800000000, -0.0017958900000000, 0.0002786500000000 ] - [ 0.0000195400000000, -0.0021735600000000, -0.0006039700000000 ] - [ -0.0000195400000000, -0.0021735600000000, -0.0006039700000000 ] - [ -0.0000003200000000, -0.0020239600000000, 0.0000932800000000 ] - [ 0.0000003200000000, -0.0020239600000000, 0.0000932800000000 ] - [ 0.0000000000000000, -0.0013731400000000, -0.0000261600000000 ] - [ 0.0000000000000000, -0.0013729800000000, -0.0000263900000000 ] - [ 0.0000000000000000, -0.0023040200000000, 0.0001255300000000 ] - [ 0.0000000000000000, -0.0023388900000000, 0.0001755000000000 ] - [ 0.0000000000000000, -0.0020679800000000, 0.0000374200000000 ] - [ 0.0000000000000000, -0.0020665300000000, 0.0000375600000000 ] - [ 0.0000000000000000, -0.0009918800000000, -0.0001774300000000 ] - [ 0.0000000000000000, -0.0009238600000000, -0.0001793300000000 ] - [ 0.0000066100000000, -0.0017716800000000, 0.0007290900000000 ] - [ -0.0000066100000000, -0.0017716800000000, 0.0007290900000000 ] - [ 0.0000000000000000, -0.0016159500000000, 0.0001027300000000 ] - [ 0.0000000000000000, -0.0016051900000000, 0.0000913400000000 ] - [ 0.0000000000000000, -0.0014538000000000, -0.0000067200000000 ] - [ 0.0000000000000000, -0.0014542800000000, -0.0000073200000000 ] - [ 0.0000000000000000, 0.0013584800000000, 0.0016690000000000 ] - [ 0.0000000000000000, -0.0000333000000000, 0.0009959500000000 ] - [ 0.0006356800000000, 0.0005124900000000, 0.0014919300000000 ] - [ -0.0006356800000000, 0.0005124900000000, 0.0014919300000000 ] - [ -0.0000012800000000, -0.0016067700000000, -0.0000449800000000 ] - [ 0.0000012800000000, -0.0016067700000000, -0.0000449800000000 ] - [ 0.0000000000000000, -0.0000333800000000, -0.0000926800000000 ] - [ 0.0000000000000000, -0.0000323300000000, -0.0000909400000000 ] - [ 0.0000000000000000, -0.0038005900000000, -0.0012396000000000 ] - [ 0.0000000000000000, -0.0035090000000000, -0.0030087400000000 ] - [ 0.0000000000000000, -0.0010592900000000, -0.0008808400000000 ] - [ 0.0000000000000000, -0.0006902800000000, -0.0004449500000000 ] - [ -0.0004621900000000, 0.0002632600000000, -0.0018962500000000 ] - [ 0.0004621900000000, 0.0002632600000000, -0.0018962500000000 ] - [ 0.0051371800000000, -0.0026198400000000, -0.0054726500000000 ] - [ -0.0051371800000000, -0.0026198400000000, -0.0054726500000000 ] - [ 0.0043723000000000, 0.0030683300000000, -0.0016338100000000 ] - [ -0.0043723000000000, 0.0030683300000000, -0.0016338100000000 ] - [ 0.0000000000000000, 0.0011884500000000, -0.0044864000000000 ] - [ 0.0000000000000000, -0.0001466800000000, -0.0023595500000000 ] - [ 0.0000009000000000, 0.0019058000000000, 0.0000197700000000 ] - [ -0.0000009000000000, 0.0019058000000000, 0.0000197700000000 ] - [ -0.0000023300000000, 0.0011929500000000, -0.0000663000000000 ] - [ 0.0000023300000000, 0.0011929500000000, -0.0000663000000000 ] - [ 0.0000000000000000, 0.0011008800000000, -0.0001201100000000 ] - [ 0.0000000000000000, 0.0011018900000000, -0.0001176000000000 ] - [ 0.0000000000000000, 0.0009863500000000, 0.0000492000000000 ] - [ 0.0000000000000000, 0.0009840000000000, 0.0000486900000000 ] - [ 0.0000000000000000, 0.0012187700000000, 0.0003905900000000 ] - [ 0.0000000000000000, 0.0012155100000000, 0.0003858000000000 ] - [ -0.0000052300000000, 0.0012547200000000, 0.0001981600000000 ] - [ 0.0000052300000000, 0.0012547200000000, 0.0001981600000000 ] - [ -0.0095013300000000, 0.0073665400000000, 0.0004043700000000 ] - [ 0.0095013300000000, 0.0073665400000000, 0.0004043700000000 ] - [ 0.0000000000000000, -0.0818421000000000, -0.0032446300000000 ] - [ 0.0000000000000000, -0.0060705400000000, -0.0004042700000000 ] - [ 0.0000000000000000, 0.0014910100000000, 0.0010110900000000 ] - [ 0.0000000000000000, 0.0015311700000000, 0.0011192600000000 ] - [ 0.0000000000000000, -0.0041558700000000, 0.0006706600000000 ] - [ 0.0000000000000000, -0.0045874800000000, 0.0029707200000000 ] - [ 0.0058379000000000, -0.0050624300000000, 0.0063450500000000 ] - [ -0.0058379000000000, -0.0050624300000000, 0.0063450500000000 ] - [ -0.0000054500000000, -0.0032316700000000, 0.0000019400000000 ] - [ 0.0000054500000000, -0.0032316700000000, 0.0000019400000000 ] - [ -0.0001221000000000, -0.0002228400000000, 0.0013528000000000 ] - [ 0.0001221000000000, -0.0002228400000000, 0.0013528000000000 ] - [ 0.0000000000000000, -0.0007844000000000, 0.0002065400000000 ] - [ 0.0000000000000000, -0.0006391600000000, -0.0003347200000000 ] - [ 0.0000717300000000, 0.0015476700000000, 0.0005680000000000 ] - [ -0.0000717300000000, 0.0015476700000000, 0.0005680000000000 ] - [ 0.0000000000000000, 0.0040355300000000, 0.0074067400000000 ] - [ 0.0000000000000000, -0.0008901500000000, 0.0009271100000000 ] - [ 0.0000000000000000, 0.0015717500000000, 0.0000272800000000 ] - [ 0.0000000000000000, 0.0017197800000000, 0.0000974900000000 ] - [ 0.0000000000000000, 0.0008962600000000, -0.0002193500000000 ] - [ 0.0000000000000000, 0.0008812100000000, -0.0002924400000000 ] - [ 0.0000000000000000, 0.0014129400000000, -0.0002697500000000 ] - [ 0.0000000000000000, 0.0014097500000000, -0.0002730200000000 ] - [ 0.0000003400000000, 0.0012776900000000, -0.0001466100000000 ] - [ -0.0000003400000000, 0.0012776900000000, -0.0001466100000000 ] - [ -0.0002082400000000, 0.0015679100000000, -0.0001571500000000 ] - [ 0.0002082400000000, 0.0015679100000000, -0.0001571500000000 ] - [ 0.0000000800000000, 0.0012228900000000, 0.0001469600000000 ] - [ -0.0000000800000000, 0.0012228900000000, 0.0001469600000000 ] - [ 0.0000000000000000, 0.0010523600000000, -0.0001874600000000 ] - [ 0.0000000000000000, 0.0010526700000000, -0.0001871400000000 ] - [ 0.0000000000000000, 0.0009830000000000, 0.0001695300000000 ] - [ 0.0000000000000000, 0.0009830000000000, 0.0001696100000000 ] - [ 0.0000000000000000, 0.0012408900000000, 0.0002175500000000 ] - [ 0.0000000000000000, 0.0012393400000000, 0.0002184000000000 ] - [ -0.0000023200000000, 0.0012471700000000, 0.0000732200000000 ] - [ 0.0000023200000000, 0.0012471700000000, 0.0000732200000000 ] - [ 0.0000000000000000, 0.0012592000000000, -0.0003386200000000 ] - [ 0.0000000000000000, 0.0012302700000000, -0.0002541400000000 ] - [ -0.0000134300000000, 0.0015865400000000, -0.0001860700000000 ] - [ 0.0000134300000000, 0.0015865400000000, -0.0001860700000000 ] - [ 0.0002504700000000, 0.0023529500000000, -0.0006414000000000 ] - [ -0.0002504700000000, 0.0023529500000000, -0.0006414000000000 ] - [ -0.0000051900000000, 0.0007860700000000, 0.0001061100000000 ] - [ 0.0000051900000000, 0.0007860700000000, 0.0001061100000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0014142500000000, -0.0008661300000000 ] - [ 0.0000000000000000, 0.0012075300000000, -0.0006473300000000 ] - [ 0.0000000000000000, -0.0036195800000000, -0.0026782500000000 ] - [ 0.0000000000000000, -0.0043098400000000, -0.0024980900000000 ] - [ 0.0000000000000000, -0.0264768300000000, 0.0023685200000000 ] - [ 0.0000000000000000, -0.0048254200000000, 0.0007696700000000 ] - [ 0.0000000000000000, 0.0098895700000000, -0.0015521900000000 ] - [ 0.0000000000000000, 0.0032225100000000, -0.0010561900000000 ] - [ 0.0000000000000000, -0.0052373700000000, 0.0040355100000000 ] - [ 0.0000000000000000, -0.0044350900000000, 0.0024656200000000 ] - [ 0.0003550000000000, -0.0030739400000000, 0.0001783800000000 ] - [ -0.0003550000000000, -0.0030739400000000, 0.0001783800000000 ] - [ 0.0012292100000000, 0.0022241100000000, 0.0015872600000000 ] - [ -0.0012292100000000, 0.0022241100000000, 0.0015872600000000 ] - [ -0.0006649300000000, -0.0153426000000000, 0.0027611900000000 ] - [ 0.0006649300000000, -0.0153426000000000, 0.0027611900000000 ] - [ -0.0003551400000000, 0.0017284000000000, -0.0009260100000000 ] - [ 0.0003551400000000, 0.0017284000000000, -0.0009260100000000 ] - [ 0.0000000000000000, 0.0006437000000000, 0.0011381500000000 ] - [ 0.0000000000000000, 0.0005263600000000, 0.0010335100000000 ] - [ 0.0001379200000000, 0.0003922300000000, -0.0007100400000000 ] - [ -0.0001379200000000, 0.0003922300000000, -0.0007100400000000 ] - [ -0.0022228600000000, -0.0136958100000000, -0.0038019700000000 ] - [ 0.0022228600000000, -0.0136958100000000, -0.0038019700000000 ] - [ 0.0000238200000000, 0.0012381900000000, 0.0003455900000000 ] - [ -0.0000238200000000, 0.0012381900000000, 0.0003455900000000 ] - [ 0.0000000800000000, 0.0013462600000000, 0.0000682600000000 ] - [ -0.0000000800000000, 0.0013462600000000, 0.0000682600000000 ] - [ -0.0000002500000000, 0.0014739500000000, 0.0000072000000000 ] - [ 0.0000002500000000, 0.0014739500000000, 0.0000072000000000 ] - [ -0.0000190900000000, 0.0022955700000000, 0.0002290300000000 ] - [ 0.0000190900000000, 0.0022955700000000, 0.0002290300000000 ] - [ -0.0000003300000000, 0.0020095100000000, -0.0000934100000000 ] - [ 0.0000003300000000, 0.0020095100000000, -0.0000934100000000 ] - [ 0.0000000000000000, 0.0016738700000000, 0.0003088300000000 ] - [ 0.0000000000000000, 0.0016737200000000, 0.0003091800000000 ] - [ 0.0000000000000000, 0.0021519700000000, 0.0002434300000000 ] - [ 0.0000000000000000, 0.0021879200000000, 0.0001924800000000 ] - [ 0.0000000000000000, 0.0020547600000000, -0.0000373200000000 ] - [ 0.0000000000000000, 0.0020528600000000, -0.0000368100000000 ] - [ 0.0000000000000000, 0.0022845900000000, 0.0001754500000000 ] - [ 0.0000000000000000, 0.0022167900000000, 0.0001774900000000 ] - [ -0.0000063400000000, 0.0018991200000000, -0.0003525500000000 ] - [ 0.0000063400000000, 0.0018991200000000, -0.0003525500000000 ] - [ 0.0000000000000000, 0.0014630100000000, -0.0004722600000000 ] - [ 0.0000000000000000, 0.0014515300000000, -0.0004607100000000 ] - [ 0.0000000000000000, 0.0017542400000000, -0.0002766300000000 ] - [ 0.0000000000000000, 0.0017542400000000, -0.0002767900000000 ] - [ 0.0000000000000000, -0.0029634000000000, -0.0016757600000000 ] - [ 0.0000000000000000, -0.0015566000000000, -0.0009865500000000 ] - [ -0.0006353600000000, 0.0011033600000000, -0.0014635200000000 ] - [ 0.0006353600000000, 0.0011033600000000, -0.0014635200000000 ] - [ 0.0000012400000000, 0.0000085900000000, 0.0000444800000000 ] - [ -0.0000012400000000, 0.0000085900000000, 0.0000444800000000 ] - [ 0.0000000000000000, 0.0016207100000000, 0.0000921900000000 ] - [ 0.0000000000000000, 0.0016196000000000, 0.0000910500000000 ] - [ 0.0000000000000000, 0.0047280500000000, 0.0012154300000000 ] - [ 0.0000000000000000, 0.0044285500000000, 0.0029958600000000 ] - [ 0.0000000000000000, 0.0011701100000000, 0.0010868300000000 ] - [ 0.0000000000000000, 0.0007980600000000, 0.0006419600000000 ] - [ 0.0004607300000000, -0.0003807800000000, 0.0016841900000000 ] - [ -0.0004607300000000, -0.0003807800000000, 0.0016841900000000 ] - [ -0.0050848300000000, 0.0016131100000000, 0.0054019900000000 ] - [ 0.0050848300000000, 0.0016131100000000, 0.0054019900000000 ] - [ -0.0042993500000000, -0.0031307800000000, 0.0017957900000000 ] - [ 0.0042993500000000, -0.0031307800000000, 0.0017957900000000 ] - [ 0.0000000000000000, -0.0010972400000000, 0.0043224300000000 ] - [ 0.0000000000000000, 0.0002827700000000, 0.0021492800000000 ] - [ -0.0000008300000000, -0.0009565200000000, -0.0000196800000000 ] - [ 0.0000008300000000, -0.0009565200000000, -0.0000196800000000 ] - [ 0.0000023700000000, -0.0010825400000000, 0.0002648400000000 ] - [ -0.0000023700000000, -0.0010825400000000, 0.0002648400000000 ] - [ 0.0000000000000000, -0.0011952600000000, -0.0000800500000000 ] - [ 0.0000000000000000, -0.0011952700000000, -0.0000847500000000 ] - [ 0.0000000000000000, -0.0019138200000000, -0.0000492800000000 ] - [ 0.0000000000000000, -0.0019136500000000, -0.0000490000000000 ] - [ 0.0000000000000000, -0.0013127900000000, -0.0001899000000000 ] - [ 0.0000000000000000, -0.0013094200000000, -0.0001846300000000 ] - [ 0.0000051100000000, -0.0011434900000000, -0.0003948100000000 ] - [ -0.0000051100000000, -0.0011434900000000, -0.0003948100000000 ] - [ 0.0096266700000000, -0.0075497700000000, -0.0005653100000000 ] - [ -0.0096266700000000, -0.0075497700000000, -0.0005653100000000 ] - [ 0.0000000000000000, 0.0800733200000000, 0.0030053200000000 ] - [ 0.0000000000000000, 0.0062552300000000, 0.0004095700000000 ] - [ 0.0000000000000000, -0.0018515900000000, -0.0010151700000000 ] - [ 0.0000000000000000, -0.0018903700000000, -0.0011233600000000 ] - [ 0.0000000000000000, 0.0043528200000000, -0.0006481600000000 ] - [ 0.0000000000000000, 0.0047573400000000, -0.0029416700000000 ] - [ -0.0057867900000000, 0.0047546100000000, -0.0063179800000000 ] - [ 0.0057867900000000, 0.0047546100000000, -0.0063179800000000 ] - [ 0.0000059100000000, 0.0029798400000000, 0.0000226200000000 ] - [ -0.0000059100000000, 0.0029798400000000, 0.0000226200000000 ] - [ 0.0001301300000000, 0.0001244700000000, -0.0011841300000000 ] - [ -0.0001301300000000, 0.0001244700000000, -0.0011841300000000 ] - [ 0.0000000000000000, 0.0009012300000000, -0.0003465100000000 ] - [ 0.0000000000000000, 0.0007569500000000, 0.0001854100000000 ] - [ -0.0000704200000000, -0.0011688300000000, -0.0005602200000000 ] - [ 0.0000704200000000, -0.0011688300000000, -0.0005602200000000 ] - [ 0.0000000000000000, -0.0038460100000000, -0.0071404000000000 ] - [ 0.0000000000000000, 0.0009972300000000, -0.0007696400000000 ] - [ 0.0000000000000000, -0.0015592600000000, -0.0000276200000000 ] - [ 0.0000000000000000, -0.0017047300000000, -0.0000962200000000 ] - [ 0.0000000000000000, -0.0008936700000000, 0.0002174200000000 ] - [ 0.0000000000000000, -0.0008780700000000, 0.0002888000000000 ] - [ 0.0000000000000000, -0.0015314000000000, 0.0001200000000000 ] - [ 0.0000000000000000, -0.0015282600000000, 0.0001232000000000 ] - [ -0.0000003400000000, -0.0010449400000000, 0.0001677800000000 ] - [ 0.0000003400000000, -0.0010449400000000, 0.0001677800000000 ] - [ 0.0002047000000000, -0.0019239600000000, 0.0001548500000000 ] - [ -0.0002047000000000, -0.0019239600000000, 0.0001548500000000 ] - [ -0.0000001800000000, -0.0009904000000000, -0.0001685000000000 ] - [ 0.0000001800000000, -0.0009904000000000, -0.0001685000000000 ] - [ 0.0000000000000000, -0.0012685100000000, 0.0001637100000000 ] - [ 0.0000000000000000, -0.0012691000000000, 0.0001644600000000 ] - [ 0.0000000000000000, -0.0011991300000000, -0.0001458100000000 ] - [ 0.0000000000000000, -0.0011989900000000, -0.0001460300000000 ] - [ 0.0000000000000000, -0.0013620200000000, -0.0000686700000000 ] - [ 0.0000000000000000, -0.0013605000000000, -0.0000695800000000 ] - [ 0.0000024400000000, -0.0011065400000000, -0.0002200000000000 ] - [ -0.0000024400000000, -0.0011065400000000, -0.0002200000000000 ] - [ 0.0000000000000000, -0.0008782700000000, 0.0003400500000000 ] - [ 0.0000000000000000, -0.0008492900000000, 0.0002540500000000 ] - [ 0.0000135000000000, -0.0014465500000000, 0.0003330200000000 ] - [ -0.0000135000000000, -0.0014465500000000, 0.0003330200000000 ] - [ -0.0002516600000000, -0.0023474000000000, 0.0006436000000000 ] - [ 0.0002516600000000, -0.0023474000000000, 0.0006436000000000 ] - [ 0.0000051800000000, -0.0007738000000000, -0.0001056300000000 ] - [ -0.0000051800000000, -0.0007738000000000, -0.0001056300000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000332200000000, 0.0003095000000000 ] - [ 0.0000000000000000, -0.0000038400000000, 0.0002707200000000 ] - [ 0.0000000000000000, 0.0027430900000000, -0.0033484200000000 ] - [ 0.0000000000000000, 0.0023294300000000, -0.0029100100000000 ] - [ 0.0000000000000000, -0.0016845400000000, 0.0155561100000000 ] - [ 0.0000000000000000, -0.0002986300000000, 0.0057673700000000 ] - [ 0.0000000000000000, 0.0004877900000000, 0.0036627600000000 ] - [ 0.0000000000000000, 0.0000806800000000, 0.0027099600000000 ] - [ 0.0000000000000000, -0.0036355400000000, -0.0049294000000000 ] - [ 0.0000000000000000, -0.0027578100000000, -0.0037662300000000 ] - [ -0.0001145800000000, -0.0010059600000000, -0.0067195700000000 ] - [ 0.0001145800000000, -0.0010059600000000, -0.0067195700000000 ] - [ 0.0001617700000000, -0.0008713300000000, 0.0008088000000000 ] - [ -0.0001617700000000, -0.0008713300000000, 0.0008088000000000 ] - [ 0.0021180000000000, -0.0019485100000000, 0.0051083900000000 ] - [ -0.0021180000000000, -0.0019485100000000, 0.0051083900000000 ] - [ -0.0000965400000000, 0.0021993800000000, -0.0008563200000000 ] - [ 0.0000965400000000, 0.0021993800000000, -0.0008563200000000 ] - [ 0.0000000000000000, -0.0019104300000000, -0.0017686600000000 ] - [ 0.0000000000000000, -0.0018578400000000, -0.0015694400000000 ] - [ 0.0000474600000000, 0.0002471300000000, -0.0011550500000000 ] - [ -0.0000474600000000, 0.0002471300000000, -0.0011550500000000 ] - [ -0.0066420500000000, 0.0040394300000000, 0.0041338300000000 ] - [ 0.0066420500000000, 0.0040394300000000, 0.0041338300000000 ] - [ 0.0000087200000000, -0.0007888800000000, 0.0001554600000000 ] - [ -0.0000087200000000, -0.0007888800000000, 0.0001554600000000 ] - [ 0.0000004300000000, 0.0000395400000000, -0.0001372900000000 ] - [ -0.0000004300000000, 0.0000395400000000, -0.0001372900000000 ] - [ -0.0000000900000000, 0.0000843500000000, 0.0001717500000000 ] - [ 0.0000000900000000, 0.0000843500000000, 0.0001717500000000 ] - [ 0.0000118600000000, 0.0003124800000000, -0.0000211800000000 ] - [ -0.0000118600000000, 0.0003124800000000, -0.0000211800000000 ] - [ -0.0000002900000000, 0.0003423100000000, -0.0000457600000000 ] - [ 0.0000002900000000, 0.0003423100000000, -0.0000457600000000 ] - [ 0.0000000000000000, 0.0003883200000000, 0.0001431100000000 ] - [ 0.0000000000000000, 0.0003881500000000, 0.0001434100000000 ] - [ 0.0000000000000000, 0.0005617700000000, 0.0006162600000000 ] - [ 0.0000000000000000, 0.0005481900000000, 0.0006065500000000 ] - [ 0.0000000000000000, 0.0002911200000000, 0.0000260500000000 ] - [ 0.0000000000000000, 0.0002907800000000, 0.0000259100000000 ] - [ 0.0000000000000000, 0.0007999400000000, -0.0000803900000000 ] - [ 0.0000000000000000, 0.0007840000000000, -0.0000772000000000 ] - [ 0.0000159600000000, 0.0004804300000000, 0.0000775300000000 ] - [ -0.0000159600000000, 0.0004804300000000, 0.0000775300000000 ] - [ 0.0000000000000000, 0.0002038700000000, -0.0007222200000000 ] - [ 0.0000000000000000, 0.0001891700000000, -0.0007078900000000 ] - [ 0.0000000000000000, 0.0003727700000000, -0.0001621800000000 ] - [ 0.0000000000000000, 0.0003719100000000, -0.0001625700000000 ] - [ 0.0000000000000000, 0.0003915000000000, -0.0016527900000000 ] - [ 0.0000000000000000, 0.0004456100000000, -0.0019111800000000 ] - [ -0.0003434100000000, 0.0038013800000000, 0.0007910700000000 ] - [ 0.0003434100000000, 0.0038013800000000, 0.0007910700000000 ] - [ -0.0000009100000000, -0.0006823200000000, -0.0000224000000000 ] - [ 0.0000009100000000, -0.0006823200000000, -0.0000224000000000 ] - [ 0.0000000000000000, 0.0008905000000000, 0.0000404100000000 ] - [ 0.0000000000000000, 0.0008909000000000, 0.0000402600000000 ] - [ 0.0000000000000000, -0.0001835200000000, 0.0058186100000000 ] - [ 0.0000000000000000, 0.0005960000000000, 0.0070360600000000 ] - [ 0.0000000000000000, -0.0006655400000000, 0.0033097500000000 ] - [ 0.0000000000000000, -0.0006217900000000, 0.0030773700000000 ] - [ 0.0003210700000000, -0.0016621800000000, 0.0006800800000000 ] - [ -0.0003210700000000, -0.0016621800000000, 0.0006800800000000 ] - [ -0.0027415100000000, -0.0078373800000000, -0.0010856600000000 ] - [ 0.0027415100000000, -0.0078373800000000, -0.0010856600000000 ] - [ 0.0010005400000000, -0.0005920900000000, -0.0020568800000000 ] - [ -0.0010005400000000, -0.0005920900000000, -0.0020568800000000 ] - [ 0.0000000000000000, -0.0041370400000000, 0.0019314100000000 ] - [ 0.0000000000000000, -0.0046921700000000, 0.0011558000000000 ] - [ 0.0000007200000000, 0.0002566300000000, 0.0000141500000000 ] - [ -0.0000007200000000, 0.0002566300000000, 0.0000141500000000 ] - [ -0.0000029700000000, -0.0001200900000000, 0.0001839900000000 ] - [ 0.0000029700000000, -0.0001200900000000, 0.0001839900000000 ] - [ 0.0000000000000000, -0.0001506800000000, -0.0000223700000000 ] - [ 0.0000000000000000, -0.0001497700000000, -0.0000250400000000 ] - [ 0.0000000000000000, -0.0006588000000000, -0.0000238100000000 ] - [ 0.0000000000000000, -0.0006584600000000, -0.0000239800000000 ] - [ 0.0000000000000000, -0.0001991200000000, -0.0000951800000000 ] - [ 0.0000000000000000, -0.0001987900000000, -0.0000930600000000 ] - [ -0.0000028700000000, -0.0000953200000000, -0.0001209900000000 ] - [ 0.0000028700000000, -0.0000953200000000, -0.0001209900000000 ] - [ -0.0007496600000000, 0.0025419700000000, -0.0080364900000000 ] - [ 0.0007496600000000, 0.0025419700000000, -0.0080364900000000 ] - [ 0.0000000000000000, -0.0028798800000000, -0.0406590300000000 ] - [ 0.0000000000000000, -0.0002804100000000, -0.0103962500000000 ] - [ 0.0000000000000000, 0.0000559400000000, -0.0005108000000000 ] - [ 0.0000000000000000, 0.0000128500000000, -0.0004836500000000 ] - [ 0.0000000000000000, -0.0005411200000000, 0.0088041800000000 ] - [ 0.0000000000000000, -0.0028265700000000, 0.0105186600000000 ] - [ 0.0052447800000000, 0.0062526300000000, 0.0026068400000000 ] - [ -0.0052447800000000, 0.0062526300000000, 0.0026068400000000 ] - [ -0.0000354300000000, -0.0000926400000000, 0.0029317000000000 ] - [ 0.0000354300000000, -0.0000926400000000, 0.0029317000000000 ] - [ 0.0002217600000000, 0.0044086400000000, 0.0038986600000000 ] - [ -0.0002217600000000, 0.0044086400000000, 0.0038986600000000 ] - [ 0.0000000000000000, 0.0006351300000000, 0.0013205200000000 ] - [ 0.0000000000000000, 0.0006219000000000, 0.0014789200000000 ] - [ -0.0000136900000000, 0.0000733900000000, 0.0002344700000000 ] - [ 0.0000136900000000, 0.0000733900000000, 0.0002344700000000 ] - [ 0.0000000000000000, 0.0012868300000000, -0.0010310000000000 ] - [ 0.0000000000000000, 0.0016299700000000, -0.0006740300000000 ] - [ 0.0000000000000000, 0.0000260000000000, -0.0002422400000000 ] - [ 0.0000000000000000, 0.0000573400000000, -0.0002035700000000 ] - [ 0.0000000000000000, -0.0003293200000000, 0.0001581800000000 ] - [ 0.0000000000000000, -0.0002714600000000, 0.0001100700000000 ] - [ 0.0000000000000000, -0.0002339000000000, -0.0000732200000000 ] - [ 0.0000000000000000, -0.0002341700000000, -0.0000735000000000 ] - [ 0.0000000300000000, -0.0000472500000000, 0.0000219900000000 ] - [ -0.0000000300000000, -0.0000472500000000, 0.0000219900000000 ] - [ -0.0000664300000000, -0.0005827800000000, -0.0000616700000000 ] - [ 0.0000664300000000, -0.0005827800000000, -0.0000616700000000 ] - [ 0.0000000000000000, -0.0000476200000000, -0.0000330800000000 ] - [ 0.0000000000000000, -0.0000476200000000, -0.0000330800000000 ] - [ 0.0000000000000000, -0.0002897000000000, 0.0000025500000000 ] - [ 0.0000000000000000, -0.0002900400000000, 0.0000031300000000 ] - [ 0.0000000000000000, -0.0002721200000000, 0.0000103700000000 ] - [ 0.0000000000000000, -0.0002720400000000, 0.0000104400000000 ] - [ 0.0000000000000000, -0.0003059000000000, 0.0000454300000000 ] - [ 0.0000000000000000, -0.0003064100000000, 0.0000461400000000 ] - [ 0.0000035300000000, -0.0001086400000000, -0.0000286600000000 ] - [ -0.0000035300000000, -0.0001086400000000, -0.0000286600000000 ] - [ 0.0000000000000000, -0.0010140800000000, 0.0001610500000000 ] - [ 0.0000000000000000, -0.0009450300000000, 0.0001754000000000 ] - [ 0.0000004900000000, -0.0002518600000000, 0.0000786700000000 ] - [ -0.0000004900000000, -0.0002518600000000, 0.0000786700000000 ] - [ 0.0000279300000000, -0.0001552600000000, -0.0005545600000000 ] - [ -0.0000279300000000, -0.0001552600000000, -0.0005545600000000 ] - [ -0.0000177000000000, 0.0004863200000000, 0.0006916200000000 ] - [ 0.0000177000000000, 0.0004863200000000, 0.0006916200000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0013255700000000, -0.0003162800000000 ] - [ 0.0000000000000000, -0.0012887200000000, -0.0002740400000000 ] - [ 0.0000000000000000, -0.0030991400000000, 0.0030579700000000 ] - [ 0.0000000000000000, -0.0026653500000000, 0.0026118200000000 ] - [ 0.0000000000000000, 0.0013856400000000, -0.0152460700000000 ] - [ 0.0000000000000000, -0.0000365900000000, -0.0054694400000000 ] - [ 0.0000000000000000, -0.0003939100000000, -0.0040218000000000 ] - [ 0.0000000000000000, 0.0000571400000000, -0.0030753500000000 ] - [ 0.0000000000000000, 0.0035864400000000, 0.0049355900000000 ] - [ 0.0000000000000000, 0.0027411900000000, 0.0037722200000000 ] - [ 0.0001004400000000, 0.0013124100000000, 0.0070114400000000 ] - [ -0.0001004400000000, 0.0013124100000000, 0.0070114400000000 ] - [ -0.0001500500000000, 0.0007407500000000, -0.0004261600000000 ] - [ 0.0001500500000000, 0.0007407500000000, -0.0004261600000000 ] - [ -0.0017316400000000, 0.0018403600000000, -0.0054709100000000 ] - [ 0.0017316400000000, 0.0018403600000000, -0.0054709100000000 ] - [ 0.0000940400000000, -0.0008867700000000, 0.0008578400000000 ] - [ -0.0000940400000000, -0.0008867700000000, 0.0008578400000000 ] - [ 0.0000000000000000, 0.0020672000000000, 0.0021403400000000 ] - [ 0.0000000000000000, 0.0020102800000000, 0.0019404600000000 ] - [ -0.0000469400000000, -0.0003885000000000, 0.0007772600000000 ] - [ 0.0000469400000000, -0.0003885000000000, 0.0007772600000000 ] - [ 0.0068830900000000, -0.0038109000000000, -0.0041673000000000 ] - [ -0.0068830900000000, -0.0038109000000000, -0.0041673000000000 ] - [ -0.0000093900000000, -0.0005048800000000, -0.0001586600000000 ] - [ 0.0000093900000000, -0.0005048800000000, -0.0001586600000000 ] - [ 0.0000002400000000, -0.0003444000000000, -0.0001454600000000 ] - [ -0.0000002400000000, -0.0003444000000000, -0.0001454600000000 ] - [ 0.0000004200000000, -0.0003901700000000, 0.0001111000000000 ] - [ -0.0000004200000000, -0.0003901700000000, 0.0001111000000000 ] - [ -0.0000119000000000, -0.0001646800000000, -0.0003531100000000 ] - [ 0.0000119000000000, -0.0001646800000000, -0.0003531100000000 ] - [ 0.0000000000000000, -0.0003309600000000, 0.0000458000000000 ] - [ 0.0000000000000000, -0.0003309600000000, 0.0000458000000000 ] - [ 0.0000000000000000, -0.0000712200000000, 0.0001402500000000 ] - [ 0.0000000000000000, -0.0000711300000000, 0.0001399700000000 ] - [ 0.0000000000000000, -0.0006940400000000, -0.0002364400000000 ] - [ 0.0000000000000000, -0.0006806800000000, -0.0002264400000000 ] - [ 0.0000000000000000, -0.0002867700000000, -0.0000270200000000 ] - [ 0.0000000000000000, -0.0002867400000000, -0.0000266600000000 ] - [ 0.0000000000000000, 0.0005046200000000, 0.0000821500000000 ] - [ 0.0000000000000000, 0.0005194100000000, 0.0000787700000000 ] - [ -0.0000163400000000, -0.0003357900000000, 0.0002952600000000 ] - [ 0.0000163400000000, -0.0003357900000000, 0.0002952600000000 ] - [ 0.0000000000000000, -0.0003311200000000, 0.0003435800000000 ] - [ 0.0000000000000000, -0.0003174400000000, 0.0003291200000000 ] - [ 0.0000000000000000, -0.0000552000000000, -0.0001216200000000 ] - [ 0.0000000000000000, -0.0000549900000000, -0.0001213400000000 ] - [ 0.0000000000000000, -0.0019739200000000, 0.0016519900000000 ] - [ 0.0000000000000000, -0.0020451000000000, 0.0019115100000000 ] - [ 0.0003424600000000, -0.0022157500000000, -0.0008003200000000 ] - [ -0.0003424600000000, -0.0022157500000000, -0.0008003200000000 ] - [ 0.0000009300000000, -0.0009074800000000, 0.0000226900000000 ] - [ -0.0000009300000000, -0.0009074800000000, 0.0000226900000000 ] - [ 0.0000000000000000, 0.0007050100000000, -0.0000419700000000 ] - [ 0.0000000000000000, 0.0007048200000000, -0.0000413500000000 ] - [ 0.0000000000000000, 0.0011195400000000, -0.0057770900000000 ] - [ 0.0000000000000000, 0.0003545800000000, -0.0070181600000000 ] - [ 0.0000000000000000, 0.0007563100000000, -0.0031124300000000 ] - [ 0.0000000000000000, 0.0007221500000000, -0.0028839000000000 ] - [ -0.0003192200000000, 0.0015593000000000, -0.0008695900000000 ] - [ 0.0003192200000000, 0.0015593000000000, -0.0008695900000000 ] - [ 0.0027368300000000, 0.0069444100000000, 0.0011271500000000 ] - [ -0.0027368300000000, 0.0069444100000000, 0.0011271500000000 ] - [ -0.0010346300000000, 0.0004749100000000, 0.0022730800000000 ] - [ 0.0010346300000000, 0.0004749100000000, 0.0022730800000000 ] - [ 0.0000000000000000, 0.0042124700000000, -0.0021302500000000 ] - [ 0.0000000000000000, 0.0047552800000000, -0.0013483500000000 ] - [ -0.0000006900000000, 0.0006757500000000, -0.0000149500000000 ] - [ 0.0000006900000000, 0.0006757500000000, -0.0000149500000000 ] - [ 0.0000030900000000, 0.0002190400000000, 0.0000140300000000 ] - [ -0.0000030900000000, 0.0002190400000000, 0.0000140300000000 ] - [ 0.0000000000000000, 0.0000427300000000, -0.0001733000000000 ] - [ 0.0000000000000000, 0.0000425700000000, -0.0001720100000000 ] - [ 0.0000000000000000, -0.0002835200000000, 0.0000240100000000 ] - [ 0.0000000000000000, -0.0002853500000000, 0.0000239900000000 ] - [ 0.0000000000000000, 0.0000922700000000, 0.0002928100000000 ] - [ 0.0000000000000000, 0.0000920400000000, 0.0002909100000000 ] - [ 0.0000029700000000, 0.0001939300000000, -0.0000786100000000 ] - [ -0.0000029700000000, 0.0001939300000000, -0.0000786100000000 ] - [ 0.0006780500000000, -0.0026335300000000, 0.0079019900000000 ] - [ -0.0006780500000000, -0.0026335300000000, 0.0079019900000000 ] - [ 0.0000000000000000, 0.0033669900000000, 0.0408899200000000 ] - [ 0.0000000000000000, 0.0005331900000000, 0.0104363600000000 ] - [ 0.0000000000000000, -0.0004291300000000, 0.0005171100000000 ] - [ 0.0000000000000000, -0.0003836900000000, 0.0004907500000000 ] - [ 0.0000000000000000, 0.0007769200000000, -0.0089042700000000 ] - [ 0.0000000000000000, 0.0030852300000000, -0.0105828600000000 ] - [ -0.0052184100000000, -0.0064097700000000, -0.0026538000000000 ] - [ 0.0052184100000000, -0.0064097700000000, -0.0026538000000000 ] - [ 0.0000373200000000, -0.0001130000000000, -0.0029100300000000 ] - [ -0.0000373200000000, -0.0001130000000000, -0.0029100300000000 ] - [ -0.0002224700000000, -0.0045550100000000, -0.0037573200000000 ] - [ 0.0002224700000000, -0.0045550100000000, -0.0037573200000000 ] - [ 0.0000000000000000, -0.0004958600000000, -0.0014720600000000 ] - [ 0.0000000000000000, -0.0004831400000000, -0.0016252600000000 ] - [ 0.0000130600000000, 0.0002900200000000, -0.0002389400000000 ] - [ -0.0000130600000000, 0.0002900200000000, -0.0002389400000000 ] - [ 0.0000000000000000, -0.0011844600000000, 0.0011171900000000 ] - [ 0.0000000000000000, -0.0014841800000000, 0.0008170600000000 ] - [ 0.0000000000000000, -0.0000321000000000, 0.0002420400000000 ] - [ 0.0000000000000000, -0.0000648600000000, 0.0002028800000000 ] - [ 0.0000000000000000, 0.0003276600000000, -0.0001573200000000 ] - [ 0.0000000000000000, 0.0002695900000000, -0.0001083500000000 ] - [ 0.0000000000000000, 0.0000982400000000, -0.0000751200000000 ] - [ 0.0000000000000000, 0.0000985000000000, -0.0000746600000000 ] - [ -0.0000000600000000, 0.0002669500000000, 0.0000003600000000 ] - [ 0.0000000600000000, 0.0002669500000000, 0.0000003600000000 ] - [ 0.0000680800000000, 0.0002068000000000, 0.0000624500000000 ] - [ -0.0000680800000000, 0.0002068000000000, 0.0000624500000000 ] - [ -0.0000000500000000, 0.0002674100000000, 0.0000102200000000 ] - [ 0.0000000500000000, 0.0002674100000000, 0.0000102200000000 ] - [ 0.0000000000000000, 0.0000617400000000, -0.0000247000000000 ] - [ 0.0000000000000000, 0.0000617300000000, -0.0000243200000000 ] - [ 0.0000000000000000, 0.0000438300000000, 0.0000108800000000 ] - [ 0.0000000000000000, 0.0000439200000000, 0.0000105900000000 ] - [ 0.0000000000000000, 0.0001709400000000, 0.0001026000000000 ] - [ 0.0000000000000000, 0.0001714000000000, 0.0001018200000000 ] - [ -0.0000033500000000, 0.0002327000000000, -0.0001210700000000 ] - [ 0.0000033500000000, 0.0002327000000000, -0.0001210700000000 ] - [ 0.0000000000000000, 0.0013708200000000, -0.0001633500000000 ] - [ 0.0000000000000000, 0.0013026100000000, -0.0001771900000000 ] - [ -0.0000005700000000, 0.0003782300000000, 0.0000695900000000 ] - [ 0.0000005700000000, 0.0003782300000000, 0.0000695900000000 ] - [ -0.0000248400000000, 0.0001575800000000, 0.0005494700000000 ] - [ 0.0000248400000000, 0.0001575800000000, 0.0005494700000000 ] - [ 0.0000185200000000, -0.0004944900000000, -0.0006914100000000 ] - [ -0.0000185200000000, -0.0004944900000000, -0.0006914100000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000084300000000, -0.0006535900000000, 0.0000000000000000 ] - [ -0.0000080100000000, -0.0006534200000000, 0.0000000000000000 ] - [ 0.0000290400000000, -0.0001477300000000, -0.0001404800000000 ] - [ -0.0000303300000000, -0.0001471500000000, -0.0001409400000000 ] - [ 0.0000290400000000, -0.0001477300000000, 0.0001404800000000 ] - [ -0.0000303300000000, -0.0001471500000000, 0.0001409400000000 ] - [ 0.0082626300000000, 0.0000740700000000, -0.0001598700000000 ] - [ -0.0056288700000000, 0.0000361700000000, -0.0002123200000000 ] - [ 0.0000288300000000, 0.0000090000000000, 0.0000000000000000 ] - [ -0.0000266000000000, 0.0000044900000000, 0.0000000000000000 ] - [ -0.0000143300000000, -0.0001530300000000, 0.0004067300000000 ] - [ -0.0000246300000000, 0.0004741800000000, -0.0001270800000000 ] - [ 0.0000004600000000, -0.0000782500000000, 0.0001809600000000 ] - [ -0.0000004300000000, -0.0000671700000000, 0.0001880400000000 ] - [ -0.0000610900000000, -0.0008915300000000, 0.0000000000000000 ] - [ -0.0000635400000000, 0.0009099000000000, 0.0000000000000000 ] - [ 0.0000406100000000, -0.0000351600000000, 0.0000000000000000 ] - [ 0.0000218300000000, 0.0013129000000000, 0.0000000000000000 ] - [ 0.0082626300000000, 0.0000740700000000, 0.0001598700000000 ] - [ -0.0056288700000000, 0.0000361700000000, 0.0002123200000000 ] - [ 0.0000004600000000, -0.0000782500000000, -0.0001809600000000 ] - [ -0.0000004300000000, -0.0000671700000000, -0.0001880400000000 ] - [ -0.0000143300000000, -0.0001530300000000, -0.0004067300000000 ] - [ -0.0000246300000000, 0.0004741800000000, 0.0001270800000000 ] - [ 0.0139928800000000, -0.0098872600000000, 0.0000000000000000 ] - [ 0.0130301800000000, 0.0076292500000000, 0.0000000000000000 ] - [ 0.0000886200000000, -0.0000488400000000, -0.0000004200000000 ] - [ 0.0000728000000000, -0.0002408900000000, -0.0002698500000000 ] - [ 0.0000886200000000, -0.0000488400000000, 0.0000004200000000 ] - [ 0.0000728000000000, -0.0002408900000000, 0.0002698500000000 ] - [ 0.0000003800000000, 0.0000790500000000, -0.0001794100000000 ] - [ -0.0000005600000000, 0.0001001700000000, -0.0001847200000000 ] - [ -0.0000012100000000, -0.0000592600000000, 0.0000000000000000 ] - [ -0.0000017300000000, 0.0000641800000000, 0.0000000000000000 ] - [ -0.0000381000000000, 0.0001599200000000, 0.0001420000000000 ] - [ 0.0000391200000000, 0.0001606200000000, 0.0001429600000000 ] - [ 0.0022079000000000, -0.0001035400000000, 0.0001849100000000 ] - [ -0.0021231900000000, -0.0000984600000000, 0.0001588800000000 ] - [ -0.0001173700000000, 0.0000069900000000, 0.0000000000000000 ] - [ 0.0001434700000000, 0.0000123200000000, 0.0000000000000000 ] - [ -0.0000004300000000, 0.0006677000000000, 0.0000000000000000 ] - [ 0.0000000700000000, 0.0006670900000000, 0.0000000000000000 ] - [ 0.0000003800000000, 0.0000790500000000, 0.0001794100000000 ] - [ -0.0000005600000000, 0.0001001700000000, 0.0001847200000000 ] - [ 0.0022079000000000, -0.0001035400000000, -0.0001849100000000 ] - [ -0.0021231900000000, -0.0000984600000000, -0.0001588800000000 ] - [ -0.0000381000000000, 0.0001599200000000, -0.0001420000000000 ] - [ 0.0000391200000000, 0.0001606200000000, -0.0001429600000000 ] - [ 0.0006497500000000, -0.0007860100000000, 0.0000000000000000 ] - [ 0.0001385700000000, -0.0007982000000000, 0.0000000000000000 ] - [ 0.0000009400000000, 0.0007815200000000, 0.0000000000000000 ] - [ 0.0000010200000000, 0.0008175100000000, 0.0000000000000000 ] - [ -0.0000000100000000, -0.0007921700000000, 0.0000000000000000 ] - [ 0.0000000500000000, -0.0007946300000000, 0.0000000000000000 ] - [ -0.0005648700000000, 0.0008085000000000, 0.0000000000000000 ] - [ 0.0017314600000000, 0.0008103600000000, 0.0000000000000000 ] - [ -0.0002150100000000, 0.0004468800000000, 0.0000000000000000 ] - [ 0.0000717100000000, 0.0004597700000000, 0.0000000000000000 ] - [ -0.0002550800000000, 0.0000395500000000, 0.0001283300000000 ] - [ 0.0004285900000000, 0.0000649500000000, 0.0000888000000000 ] - [ -0.0000002200000000, -0.0000478200000000, -0.0001002600000000 ] - [ -0.0000002400000000, -0.0000769100000000, -0.0000815000000000 ] - [ 0.0000004300000000, -0.0003529700000000, 0.0000000000000000 ] - [ 0.0000006600000000, -0.0005771300000000, 0.0000000000000000 ] - [ -0.0000002200000000, -0.0000478200000000, 0.0001002600000000 ] - [ -0.0000002400000000, -0.0000769100000000, 0.0000815000000000 ] - [ -0.0002550800000000, 0.0000395500000000, -0.0001283300000000 ] - [ 0.0004285900000000, 0.0000649500000000, -0.0000888000000000 ] - [ 0.0000014700000000, 0.0004580100000000, 0.0000000000000000 ] - [ 0.0000016900000000, 0.0004491200000000, 0.0000000000000000 ] - [ -0.0000002000000000, 0.0000537100000000, 0.0000931800000000 ] - [ -0.0000001700000000, 0.0000518900000000, 0.0000914300000000 ] - [ -0.0057928000000000, -0.0000474600000000, -0.0001022600000000 ] - [ 0.0086104000000000, -0.0000901700000000, -0.0001207800000000 ] - [ 0.0004518800000000, -0.0004564200000000, 0.0000000000000000 ] - [ -0.0006228300000000, -0.0004711500000000, 0.0000000000000000 ] - [ -0.0057928000000000, -0.0000474600000000, 0.0001022600000000 ] - [ 0.0086104000000000, -0.0000901700000000, 0.0001207800000000 ] - [ -0.0000002000000000, 0.0000537100000000, -0.0000931800000000 ] - [ -0.0000001700000000, 0.0000518900000000, -0.0000914300000000 ] - [ 0.0000893700000000, 0.0011582600000000, 0.0012193100000000 ] - [ 0.0001495100000000, -0.0012947100000000, -0.0013676600000000 ] - [ -0.0002700000000000, 0.0001050300000000, 0.0000106600000000 ] - [ 0.0002727100000000, 0.0001048700000000, 0.0000107500000000 ] - [ -0.0660447300000000, 0.0008058300000000, 0.0000000000000000 ] - [ 0.0187147100000000, -0.0001299400000000, 0.0000000000000000 ] - [ -0.0002700000000000, 0.0001050300000000, -0.0000106600000000 ] - [ 0.0002727100000000, 0.0001048700000000, -0.0000107500000000 ] - [ 0.0000006500000000, -0.0000435300000000, -0.0000236500000000 ] - [ 0.0000018600000000, -0.0001853200000000, 0.0000030500000000 ] - [ 0.0000006500000000, -0.0000435300000000, 0.0000236500000000 ] - [ 0.0000018600000000, -0.0001853200000000, -0.0000030500000000 ] - [ 0.0000893700000000, 0.0011582600000000, -0.0012193100000000 ] - [ 0.0001495100000000, -0.0012947100000000, 0.0013676600000000 ] - [ -0.0000103400000000, 0.0000577200000000, -0.0000779200000000 ] - [ 0.0000091800000000, 0.0000581000000000, -0.0000774100000000 ] - [ 0.0000001100000000, 0.0001790300000000, 0.0000000000000000 ] - [ -0.0000000900000000, 0.0001750200000000, 0.0000000000000000 ] - [ -0.0000103400000000, 0.0000577200000000, 0.0000779200000000 ] - [ 0.0000091800000000, 0.0000581000000000, 0.0000774100000000 ] - [ -0.0000018200000000, -0.0000058600000000, 0.0000002100000000 ] - [ 0.0000016600000000, -0.0000057600000000, 0.0000001900000000 ] - [ -0.0000018200000000, -0.0000058600000000, -0.0000002100000000 ] - [ 0.0000016600000000, -0.0000057600000000, -0.0000001900000000 ] - [ 0.0000229700000000, -0.0000688500000000, -0.0000764800000000 ] - [ -0.0000272700000000, -0.0000697100000000, -0.0000758500000000 ] - [ -0.0000216900000000, 0.0003106100000000, 0.0000791100000000 ] - [ -0.0000199900000000, -0.0001020700000000, -0.0000553600000000 ] - [ 0.0000002600000000, -0.0001884700000000, 0.0000000000000000 ] - [ -0.0000000900000000, -0.0001904700000000, 0.0000000000000000 ] - [ -0.0000216900000000, 0.0003106100000000, -0.0000791100000000 ] - [ -0.0000199900000000, -0.0001020700000000, 0.0000553600000000 ] - [ 0.0001763400000000, -0.0001130400000000, -0.0000081200000000 ] - [ -0.0001375300000000, -0.0001134500000000, -0.0000079900000000 ] - [ 0.0001763400000000, -0.0001130400000000, 0.0000081200000000 ] - [ -0.0001375300000000, -0.0001134500000000, 0.0000079900000000 ] - [ 0.0000229700000000, -0.0000688500000000, 0.0000764800000000 ] - [ -0.0000272700000000, -0.0000697100000000, 0.0000758500000000 ] - [ 0.0000648800000000, -0.0000051800000000, 0.0001414800000000 ] - [ 0.0000687100000000, 0.0001389600000000, -0.0003025900000000 ] - [ -0.0010141100000000, 0.0001978600000000, 0.0000000000000000 ] - [ 0.0010437500000000, 0.0001995100000000, 0.0000000000000000 ] - [ 0.0000648800000000, -0.0000051800000000, -0.0001414800000000 ] - [ 0.0000687100000000, 0.0001389600000000, 0.0003025900000000 ] - [ 0.0015461500000000, 0.0004849000000000, 0.0058042600000000 ] - [ 0.0015873900000000, -0.0004352900000000, -0.0057584400000000 ] - [ 0.0015461500000000, 0.0004849000000000, -0.0058042600000000 ] - [ 0.0015873900000000, -0.0004352900000000, 0.0057584400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0028997000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028982400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022717900000000, -0.0002337200000000 ] - [ 0.0000000000000000, -0.0022342700000000, -0.0001867000000000 ] - [ 0.0000000000000000, -0.0022717900000000, 0.0002337200000000 ] - [ 0.0000000000000000, -0.0022342700000000, 0.0001867000000000 ] - [ 0.0000000000000000, 0.0114729900000000, 0.0046311500000000 ] - [ 0.0000000000000000, 0.0081241100000000, 0.0004255300000000 ] - [ 0.0000000000000000, -0.0027871300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019409400000000, 0.0000000000000000 ] - [ -0.0009565900000000, -0.0016836600000000, 0.0009055600000000 ] - [ 0.0009565900000000, -0.0016836600000000, 0.0009055600000000 ] - [ -0.0000267400000000, -0.0026474700000000, -0.0003053000000000 ] - [ 0.0000267400000000, -0.0026474700000000, -0.0003053000000000 ] - [ -0.0004316200000000, -0.0041324600000000, 0.0000000000000000 ] - [ 0.0004316200000000, -0.0041324600000000, 0.0000000000000000 ] - [ -0.0019000400000000, 0.0062321300000000, 0.0000000000000000 ] - [ 0.0019000400000000, 0.0062321300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0114729900000000, -0.0046311500000000 ] - [ 0.0000000000000000, 0.0081241100000000, -0.0004255300000000 ] - [ -0.0000267400000000, -0.0026474700000000, 0.0003053000000000 ] - [ 0.0000267400000000, -0.0026474700000000, 0.0003053000000000 ] - [ -0.0009565900000000, -0.0016836600000000, -0.0009055600000000 ] - [ 0.0009565900000000, -0.0016836600000000, -0.0009055600000000 ] - [ -0.0099126600000000, 0.0233250500000000, 0.0000000000000000 ] - [ 0.0099126600000000, 0.0233250500000000, 0.0000000000000000 ] - [ 0.0006173500000000, -0.0026803500000000, -0.0024596600000000 ] - [ -0.0006173500000000, -0.0026803500000000, -0.0024596600000000 ] - [ 0.0006173500000000, -0.0026803500000000, 0.0024596600000000 ] - [ -0.0006173500000000, -0.0026803500000000, 0.0024596600000000 ] - [ 0.0000119200000000, -0.0025629600000000, -0.0005904200000000 ] - [ -0.0000119200000000, -0.0025629600000000, -0.0005904200000000 ] - [ 0.0000264000000000, -0.0004256000000000, 0.0000000000000000 ] - [ -0.0000264000000000, -0.0004256000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018107000000000, -0.0003545900000000 ] - [ 0.0000000000000000, -0.0017798500000000, -0.0003324800000000 ] - [ 0.0000000000000000, 0.0061537800000000, 0.0053947500000000 ] - [ 0.0000000000000000, 0.0058419800000000, 0.0041172500000000 ] - [ 0.0000000000000000, -0.0034492100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030227400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015241200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015220700000000, 0.0000000000000000 ] - [ 0.0000119200000000, -0.0025629600000000, 0.0005904200000000 ] - [ -0.0000119200000000, -0.0025629600000000, 0.0005904200000000 ] - [ 0.0000000000000000, 0.0061537800000000, -0.0053947500000000 ] - [ 0.0000000000000000, 0.0058419800000000, -0.0041172500000000 ] - [ 0.0000000000000000, -0.0018107000000000, 0.0003545900000000 ] - [ 0.0000000000000000, -0.0017798500000000, 0.0003324800000000 ] - [ 0.0000000000000000, -0.0014929200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004826400000000, 0.0000000000000000 ] - [ 0.0000068700000000, -0.0003251200000000, 0.0000000000000000 ] - [ -0.0000068700000000, -0.0003251200000000, 0.0000000000000000 ] - [ -0.0000009300000000, -0.0017466300000000, 0.0000000000000000 ] - [ 0.0000009300000000, -0.0017466300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017841000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015345200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032383300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004972700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029836100000000, -0.0078876500000000 ] - [ 0.0000000000000000, -0.0015262100000000, 0.0000861700000000 ] - [ 0.0000026100000000, 0.0015255100000000, -0.0003907300000000 ] - [ -0.0000026100000000, 0.0015255100000000, -0.0003907300000000 ] - [ 0.0000142300000000, 0.0016325400000000, 0.0000000000000000 ] - [ -0.0000142300000000, 0.0016325400000000, 0.0000000000000000 ] - [ 0.0000026100000000, 0.0015255100000000, 0.0003907300000000 ] - [ -0.0000026100000000, 0.0015255100000000, 0.0003907300000000 ] - [ 0.0000000000000000, 0.0029836100000000, 0.0078876500000000 ] - [ 0.0000000000000000, -0.0015262100000000, -0.0000861700000000 ] - [ -0.0000052700000000, 0.0019138300000000, 0.0000000000000000 ] - [ 0.0000052700000000, 0.0019138300000000, 0.0000000000000000 ] - [ -0.0000019400000000, 0.0015212500000000, -0.0001049900000000 ] - [ 0.0000019400000000, 0.0015212500000000, -0.0001049900000000 ] - [ 0.0000000000000000, 0.0063090300000000, 0.0048407600000000 ] - [ 0.0000000000000000, 0.0043067800000000, 0.0057627200000000 ] - [ 0.0000000000000000, 0.0030444500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015887900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0063090300000000, -0.0048407600000000 ] - [ 0.0000000000000000, 0.0043067800000000, -0.0057627200000000 ] - [ -0.0000019400000000, 0.0015212500000000, 0.0001049900000000 ] - [ 0.0000019400000000, 0.0015212500000000, 0.0001049900000000 ] - [ 0.0059467700000000, 0.0028672100000000, 0.0012060900000000 ] - [ -0.0059467700000000, 0.0028672100000000, 0.0012060900000000 ] - [ 0.0000000000000000, 0.0017821300000000, 0.0002551100000000 ] - [ 0.0000000000000000, 0.0018213700000000, 0.0002104500000000 ] - [ 0.0000000000000000, -0.0825383100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0142083000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017821300000000, -0.0002551100000000 ] - [ 0.0000000000000000, 0.0018213700000000, -0.0002104500000000 ] - [ 0.0001359300000000, 0.0012472800000000, -0.0001190100000000 ] - [ -0.0001359300000000, 0.0012472800000000, -0.0001190100000000 ] - [ 0.0001359300000000, 0.0012472800000000, 0.0001190100000000 ] - [ -0.0001359300000000, 0.0012472800000000, 0.0001190100000000 ] - [ 0.0059467700000000, 0.0028672100000000, -0.0012060900000000 ] - [ -0.0059467700000000, 0.0028672100000000, -0.0012060900000000 ] - [ 0.0000000000000000, 0.0018546500000000, 0.0001539200000000 ] - [ 0.0000000000000000, 0.0017427500000000, 0.0000447600000000 ] - [ 0.0000019600000000, 0.0020840000000000, 0.0000000000000000 ] - [ -0.0000019600000000, 0.0020840000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018546500000000, -0.0001539200000000 ] - [ 0.0000000000000000, 0.0017427500000000, -0.0000447600000000 ] - [ 0.0000000000000000, 0.0018069500000000, -0.0000394700000000 ] - [ 0.0000000000000000, 0.0018071000000000, -0.0000406100000000 ] - [ 0.0000000000000000, 0.0018069500000000, 0.0000394700000000 ] - [ 0.0000000000000000, 0.0018071000000000, 0.0000406100000000 ] - [ 0.0000000000000000, 0.0018635200000000, -0.0004549000000000 ] - [ 0.0000000000000000, 0.0018111300000000, -0.0004073400000000 ] - [ -0.0000735100000000, 0.0018553700000000, -0.0003835200000000 ] - [ 0.0000735100000000, 0.0018553700000000, -0.0003835200000000 ] - [ -0.0000008700000000, 0.0017637400000000, 0.0000000000000000 ] - [ 0.0000008700000000, 0.0017637400000000, 0.0000000000000000 ] - [ -0.0000735100000000, 0.0018553700000000, 0.0003835200000000 ] - [ 0.0000735100000000, 0.0018553700000000, 0.0003835200000000 ] - [ 0.0000000000000000, 0.0009581700000000, -0.0012022100000000 ] - [ 0.0000000000000000, 0.0009298900000000, -0.0011334800000000 ] - [ 0.0000000000000000, 0.0009581700000000, 0.0012022100000000 ] - [ 0.0000000000000000, 0.0009298900000000, 0.0011334800000000 ] - [ 0.0000000000000000, 0.0018635200000000, 0.0004549000000000 ] - [ 0.0000000000000000, 0.0018111300000000, 0.0004073400000000 ] - [ -0.0001441700000000, -0.0016195300000000, 0.0009005500000000 ] - [ 0.0001441700000000, -0.0016195300000000, 0.0009005500000000 ] - [ 0.0000000000000000, -0.0045740900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0043049900000000, 0.0000000000000000 ] - [ -0.0001441700000000, -0.0016195300000000, -0.0009005500000000 ] - [ 0.0001441700000000, -0.0016195300000000, -0.0009005500000000 ] - [ 0.0019515100000000, -0.0083081300000000, -0.0014322800000000 ] - [ -0.0019515100000000, -0.0083081300000000, -0.0014322800000000 ] - [ 0.0019515100000000, -0.0083081300000000, 0.0014322800000000 ] - [ -0.0019515100000000, -0.0083081300000000, 0.0014322800000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0015926700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015912100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019583900000000, -0.0000498700000000 ] - [ 0.0000000000000000, 0.0019224000000000, -0.0000975800000000 ] - [ 0.0000000000000000, 0.0019583900000000, 0.0000498700000000 ] - [ 0.0000000000000000, 0.0019224000000000, 0.0000975800000000 ] - [ 0.0000000000000000, -0.0110520900000000, -0.0044564500000000 ] - [ 0.0000000000000000, -0.0079387500000000, -0.0007926700000000 ] - [ 0.0000000000000000, 0.0027875500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019419900000000, 0.0000000000000000 ] - [ 0.0009558900000000, 0.0019958400000000, -0.0006156600000000 ] - [ -0.0009558900000000, 0.0019958400000000, -0.0006156600000000 ] - [ 0.0000269400000000, 0.0024988900000000, 0.0006756300000000 ] - [ -0.0000269400000000, 0.0024988900000000, 0.0006756300000000 ] - [ 0.0004244700000000, 0.0041207600000000, 0.0000000000000000 ] - [ -0.0004244700000000, 0.0041207600000000, 0.0000000000000000 ] - [ 0.0018925900000000, -0.0049105200000000, 0.0000000000000000 ] - [ -0.0018925900000000, -0.0049105200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0110520900000000, 0.0044564500000000 ] - [ 0.0000000000000000, -0.0079387500000000, 0.0007926700000000 ] - [ 0.0000269400000000, 0.0024988900000000, -0.0006756300000000 ] - [ -0.0000269400000000, 0.0024988900000000, -0.0006756300000000 ] - [ 0.0009558900000000, 0.0019958400000000, 0.0006156600000000 ] - [ -0.0009558900000000, 0.0019958400000000, 0.0006156600000000 ] - [ 0.0107162500000000, -0.0251941700000000, 0.0000000000000000 ] - [ -0.0107162500000000, -0.0251941700000000, 0.0000000000000000 ] - [ -0.0006243800000000, 0.0023731600000000, 0.0021826200000000 ] - [ 0.0006243800000000, 0.0023731600000000, 0.0021826200000000 ] - [ -0.0006243800000000, 0.0023731600000000, -0.0021826200000000 ] - [ 0.0006243800000000, 0.0023731600000000, -0.0021826200000000 ] - [ -0.0000121000000000, 0.0027121600000000, 0.0002189700000000 ] - [ 0.0000121000000000, 0.0027121600000000, 0.0002189700000000 ] - [ -0.0000272000000000, 0.0004189500000000, 0.0000000000000000 ] - [ 0.0000272000000000, 0.0004189500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021226800000000, 0.0006396600000000 ] - [ 0.0000000000000000, 0.0020919300000000, 0.0006182800000000 ] - [ 0.0000000000000000, -0.0063366200000000, -0.0050139400000000 ] - [ 0.0000000000000000, -0.0060130300000000, -0.0037469400000000 ] - [ 0.0000000000000000, 0.0034524100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030227200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028319300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028290700000000, 0.0000000000000000 ] - [ -0.0000121000000000, 0.0027121600000000, -0.0002189700000000 ] - [ 0.0000121000000000, 0.0027121600000000, -0.0002189700000000 ] - [ 0.0000000000000000, -0.0063366200000000, 0.0050139400000000 ] - [ 0.0000000000000000, -0.0060130300000000, 0.0037469400000000 ] - [ 0.0000000000000000, 0.0021226800000000, -0.0006396600000000 ] - [ 0.0000000000000000, 0.0020919300000000, -0.0006182800000000 ] - [ 0.0000000000000000, -0.0000803100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011074500000000, 0.0000000000000000 ] - [ -0.0000068400000000, 0.0019165700000000, 0.0000000000000000 ] - [ 0.0000068400000000, 0.0019165700000000, 0.0000000000000000 ] - [ 0.0000009300000000, 0.0001539900000000, 0.0000000000000000 ] - [ -0.0000009300000000, 0.0001539900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033984300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031255800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0023154600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004232800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028707100000000, 0.0080642000000000 ] - [ 0.0000000000000000, 0.0016314200000000, 0.0001014500000000 ] - [ -0.0000026200000000, -0.0016375800000000, 0.0002025100000000 ] - [ 0.0000026200000000, -0.0016375800000000, 0.0002025100000000 ] - [ -0.0000141200000000, -0.0025570600000000, 0.0000000000000000 ] - [ 0.0000141200000000, -0.0025570600000000, 0.0000000000000000 ] - [ -0.0000026200000000, -0.0016375800000000, -0.0002025100000000 ] - [ 0.0000026200000000, -0.0016375800000000, -0.0002025100000000 ] - [ 0.0000000000000000, -0.0028707100000000, -0.0080642000000000 ] - [ 0.0000000000000000, 0.0016314200000000, -0.0001014500000000 ] - [ 0.0000053400000000, -0.0009882000000000, 0.0000000000000000 ] - [ -0.0000053400000000, -0.0009882000000000, 0.0000000000000000 ] - [ 0.0000019900000000, -0.0014101200000000, 0.0002926100000000 ] - [ -0.0000019900000000, -0.0014101200000000, 0.0002926100000000 ] - [ 0.0000000000000000, -0.0064886900000000, -0.0050677500000000 ] - [ 0.0000000000000000, -0.0044279300000000, -0.0059644000000000 ] - [ 0.0000000000000000, -0.0039788200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025078100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0064886900000000, 0.0050677500000000 ] - [ 0.0000000000000000, -0.0044279300000000, 0.0059644000000000 ] - [ 0.0000019900000000, -0.0014101200000000, -0.0002926100000000 ] - [ -0.0000019900000000, -0.0014101200000000, -0.0002926100000000 ] - [ -0.0059238100000000, -0.0029934900000000, -0.0013442100000000 ] - [ 0.0059238100000000, -0.0029934900000000, -0.0013442100000000 ] - [ 0.0000000000000000, -0.0015589700000000, -0.0002301400000000 ] - [ 0.0000000000000000, -0.0015988100000000, -0.0001862400000000 ] - [ 0.0000000000000000, 0.0828443000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0138944300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015589700000000, 0.0002301400000000 ] - [ 0.0000000000000000, -0.0015988100000000, 0.0001862400000000 ] - [ -0.0001357000000000, -0.0014701400000000, 0.0000978900000000 ] - [ 0.0001357000000000, -0.0014701400000000, 0.0000978900000000 ] - [ -0.0001357000000000, -0.0014701400000000, -0.0000978900000000 ] - [ 0.0001357000000000, -0.0014701400000000, -0.0000978900000000 ] - [ -0.0059238100000000, -0.0029934900000000, 0.0013442100000000 ] - [ 0.0059238100000000, -0.0029934900000000, 0.0013442100000000 ] - [ 0.0000000000000000, -0.0017276300000000, -0.0003060000000000 ] - [ 0.0000000000000000, -0.0016159600000000, -0.0001968600000000 ] - [ -0.0000018800000000, -0.0017176600000000, 0.0000000000000000 ] - [ 0.0000018800000000, -0.0017176600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017276300000000, 0.0003060000000000 ] - [ 0.0000000000000000, -0.0016159600000000, 0.0001968600000000 ] - [ 0.0000000000000000, -0.0018075700000000, 0.0000396100000000 ] - [ 0.0000000000000000, -0.0018076100000000, 0.0000408100000000 ] - [ 0.0000000000000000, -0.0018075700000000, -0.0000396100000000 ] - [ 0.0000000000000000, -0.0018076100000000, -0.0000408100000000 ] - [ 0.0000000000000000, -0.0019917000000000, 0.0003032400000000 ] - [ 0.0000000000000000, -0.0019391300000000, 0.0002556000000000 ] - [ 0.0000739100000000, -0.0016348400000000, 0.0004058000000000 ] - [ -0.0000739100000000, -0.0016348400000000, 0.0004058000000000 ] - [ 0.0000011200000000, -0.0021311600000000, 0.0000000000000000 ] - [ -0.0000011200000000, -0.0021311600000000, 0.0000000000000000 ] - [ 0.0000739100000000, -0.0016348400000000, -0.0004058000000000 ] - [ -0.0000739100000000, -0.0016348400000000, -0.0004058000000000 ] - [ 0.0000000000000000, -0.0011801600000000, 0.0011832400000000 ] - [ 0.0000000000000000, -0.0011506600000000, 0.0011145100000000 ] - [ 0.0000000000000000, -0.0011801600000000, -0.0011832400000000 ] - [ 0.0000000000000000, -0.0011506600000000, -0.0011145100000000 ] - [ 0.0000000000000000, -0.0019917000000000, -0.0003032400000000 ] - [ 0.0000000000000000, -0.0019391300000000, -0.0002556000000000 ] - [ 0.0001457500000000, 0.0017562400000000, -0.0010521500000000 ] - [ -0.0001457500000000, 0.0017562400000000, -0.0010521500000000 ] - [ 0.0000000000000000, 0.0049417800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0046714300000000, 0.0000000000000000 ] - [ 0.0001457500000000, 0.0017562400000000, 0.0010521500000000 ] - [ -0.0001457500000000, 0.0017562400000000, 0.0010521500000000 ] - [ -0.0019720700000000, 0.0083040100000000, 0.0013939300000000 ] - [ 0.0019720700000000, 0.0083040100000000, 0.0013939300000000 ] - [ -0.0019720700000000, 0.0083040100000000, -0.0013939300000000 ] - [ 0.0019720700000000, 0.0083040100000000, -0.0013939300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006675000000000, 0.0000495400000000 ] - [ 0.0000000000000000, -0.0006673100000000, 0.0000487200000000 ] - [ 0.0000000000000000, 0.0002864900000000, -0.0000396800000000 ] - [ 0.0000000000000000, 0.0002982500000000, -0.0000382900000000 ] - [ 0.0000000000000000, -0.0006101700000000, 0.0002415400000000 ] - [ 0.0000000000000000, -0.0006198600000000, 0.0002433700000000 ] - [ 0.0000000000000000, 0.0035796100000000, 0.0147775500000000 ] - [ 0.0000000000000000, -0.0010122400000000, 0.0001159500000000 ] - [ 0.0000000000000000, -0.0000098600000000, -0.0004600100000000 ] - [ 0.0000000000000000, -0.0000076000000000, -0.0004681000000000 ] - [ 0.0005558200000000, 0.0024353100000000, -0.0012738000000000 ] - [ -0.0005558200000000, 0.0024353100000000, -0.0012738000000000 ] - [ -0.0000025500000000, -0.0001673700000000, 0.0001639100000000 ] - [ 0.0000025500000000, -0.0001673700000000, 0.0001639100000000 ] - [ -0.0000000700000000, -0.0000109500000000, 0.0039582500000000 ] - [ 0.0000000700000000, -0.0000109500000000, 0.0039582500000000 ] - [ -0.0000048400000000, 0.0006732000000000, -0.0046732300000000 ] - [ 0.0000048400000000, 0.0006732000000000, -0.0046732300000000 ] - [ 0.0000000000000000, -0.0026246300000000, 0.0142066600000000 ] - [ 0.0000000000000000, 0.0012280500000000, 0.0004318200000000 ] - [ 0.0000032300000000, -0.0000074800000000, -0.0001997800000000 ] - [ -0.0000032300000000, -0.0000074800000000, -0.0001997800000000 ] - [ -0.0005659200000000, -0.0021440800000000, -0.0015607600000000 ] - [ 0.0005659200000000, -0.0021440800000000, -0.0015607600000000 ] - [ 0.0000172800000000, -0.0006365600000000, 0.0130865900000000 ] - [ -0.0000172800000000, -0.0006365600000000, 0.0130865900000000 ] - [ 0.0005084900000000, -0.0010461700000000, 0.0000931000000000 ] - [ -0.0005084900000000, -0.0010461700000000, 0.0000931000000000 ] - [ -0.0005072800000000, 0.0007187800000000, 0.0003944700000000 ] - [ 0.0005072800000000, 0.0007187800000000, 0.0003944700000000 ] - [ -0.0000032300000000, 0.0000791500000000, -0.0001768200000000 ] - [ 0.0000032300000000, 0.0000791500000000, -0.0001768200000000 ] - [ 0.0000001900000000, 0.0000004600000000, -0.0009936900000000 ] - [ -0.0000001900000000, 0.0000004600000000, -0.0009936900000000 ] - [ 0.0000000000000000, 0.0000223200000000, 0.0001226300000000 ] - [ 0.0000000000000000, 0.0000306100000000, 0.0001131800000000 ] - [ 0.0000000000000000, 0.0045508800000000, -0.0043109300000000 ] - [ 0.0000000000000000, 0.0033711300000000, -0.0009701600000000 ] - [ 0.0000000000000000, -0.0000120900000000, 0.0000836900000000 ] - [ 0.0000000000000000, -0.0000114700000000, 0.0001153100000000 ] - [ 0.0000000000000000, 0.0006523100000000, -0.0000249300000000 ] - [ 0.0000000000000000, 0.0006518300000000, -0.0000244800000000 ] - [ 0.0000033900000000, 0.0000602800000000, 0.0001937600000000 ] - [ -0.0000033900000000, 0.0000602800000000, 0.0001937600000000 ] - [ 0.0000000000000000, -0.0046260200000000, -0.0046836600000000 ] - [ 0.0000000000000000, -0.0034618200000000, -0.0013744400000000 ] - [ 0.0000000000000000, 0.0002728000000000, -0.0001545900000000 ] - [ 0.0000000000000000, 0.0002658700000000, -0.0001649600000000 ] - [ 0.0000000000000000, -0.0008007800000000, -0.0040921100000000 ] - [ 0.0000000000000000, -0.0007967400000000, -0.0018114600000000 ] - [ 0.0000000600000000, 0.0007924600000000, 0.0000966500000000 ] - [ -0.0000000600000000, 0.0007924600000000, 0.0000966500000000 ] - [ 0.0000000100000000, -0.0007999000000000, -0.0000300000000000 ] - [ -0.0000000100000000, -0.0007999000000000, -0.0000300000000000 ] - [ 0.0000000000000000, 0.0007852900000000, 0.0038159400000000 ] - [ 0.0000000000000000, 0.0007831200000000, -0.0000597800000000 ] - [ 0.0000000000000000, 0.0004665900000000, 0.0024945700000000 ] - [ 0.0000000000000000, 0.0004594200000000, 0.0014778500000000 ] - [ 0.0000000000000000, -0.0061227800000000, 0.0145242400000000 ] - [ 0.0000000000000000, -0.0005418900000000, 0.0025747000000000 ] - [ 0.0000019000000000, -0.0001170600000000, -0.0001922500000000 ] - [ -0.0000019000000000, -0.0001170600000000, -0.0001922500000000 ] - [ 0.0000000000000000, -0.0004510100000000, -0.0002584000000000 ] - [ 0.0000000000000000, -0.0004510100000000, -0.0002584000000000 ] - [ -0.0000018900000000, 0.0000116200000000, -0.0000072700000000 ] - [ 0.0000018900000000, 0.0000116200000000, -0.0000072700000000 ] - [ 0.0000000000000000, 0.0062610400000000, 0.0144116400000000 ] - [ 0.0000000000000000, 0.0006509300000000, 0.0023885500000000 ] - [ 0.0000000600000000, 0.0004627600000000, 0.0000712300000000 ] - [ -0.0000000600000000, 0.0004627600000000, 0.0000712300000000 ] - [ -0.0000025700000000, 0.0000785300000000, 0.0001225100000000 ] - [ 0.0000025700000000, 0.0000785300000000, 0.0001225100000000 ] - [ 0.0000000000000000, 0.0047230000000000, -0.0019517300000000 ] - [ 0.0000000000000000, -0.0007719100000000, -0.0026703400000000 ] - [ 0.0000000000000000, -0.0004484200000000, -0.0019824000000000 ] - [ 0.0000000000000000, -0.0004487200000000, -0.0005727900000000 ] - [ 0.0000000000000000, -0.0048308500000000, -0.0018145300000000 ] - [ 0.0000000000000000, 0.0006955300000000, -0.0025511800000000 ] - [ 0.0000026100000000, 0.0000475900000000, -0.0000586800000000 ] - [ -0.0000026100000000, 0.0000475900000000, -0.0000586800000000 ] - [ 0.0059222900000000, 0.0062436700000000, -0.0021581700000000 ] - [ -0.0059222900000000, 0.0062436700000000, -0.0021581700000000 ] - [ 0.0000000000000000, 0.0011286400000000, -0.0005025300000000 ] - [ 0.0000000000000000, 0.0012373900000000, -0.0004752800000000 ] - [ 0.0000000000000000, -0.0010573600000000, -0.0775773800000000 ] - [ 0.0000000000000000, -0.0002327700000000, -0.0041031300000000 ] - [ 0.0000000000000000, -0.0008977800000000, -0.0005249800000000 ] - [ 0.0000000000000000, -0.0010054900000000, -0.0004987300000000 ] - [ -0.0000257400000000, 0.0004587700000000, 0.0002260200000000 ] - [ 0.0000257400000000, 0.0004587700000000, 0.0002260200000000 ] - [ 0.0000264200000000, -0.0006692400000000, 0.0002479200000000 ] - [ -0.0000264200000000, -0.0006692400000000, 0.0002479200000000 ] - [ -0.0058551900000000, -0.0063459500000000, -0.0019763500000000 ] - [ 0.0058551900000000, -0.0063459500000000, -0.0019763500000000 ] - [ 0.0000000000000000, -0.0000230200000000, -0.0000014900000000 ] - [ 0.0000000000000000, -0.0000079500000000, 0.0000092900000000 ] - [ 0.0000000300000000, 0.0001897700000000, 0.0000413200000000 ] - [ -0.0000000300000000, 0.0001897700000000, 0.0000413200000000 ] - [ 0.0000000000000000, 0.0001618900000000, 0.0001516200000000 ] - [ 0.0000000000000000, 0.0001462900000000, 0.0001631600000000 ] - [ 0.0000000000000000, 0.0000251200000000, -0.0000050300000000 ] - [ 0.0000000000000000, 0.0000247500000000, -0.0000051400000000 ] - [ 0.0000000000000000, -0.0000130100000000, -0.0000044200000000 ] - [ 0.0000000000000000, -0.0000122900000000, -0.0000049900000000 ] - [ 0.0000000000000000, -0.0000858800000000, -0.0000958700000000 ] - [ 0.0000000000000000, -0.0000679300000000, -0.0001023200000000 ] - [ -0.0000364400000000, -0.0000400200000000, -0.0000525800000000 ] - [ 0.0000364400000000, -0.0000400200000000, -0.0000525800000000 ] - [ 0.0000001400000000, -0.0001765300000000, -0.0000217500000000 ] - [ -0.0000001400000000, -0.0001765300000000, -0.0000217500000000 ] - [ 0.0000360700000000, 0.0002719500000000, -0.0000711500000000 ] - [ -0.0000360700000000, 0.0002719500000000, -0.0000711500000000 ] - [ 0.0000000000000000, -0.0004455800000000, 0.0001462100000000 ] - [ 0.0000000000000000, -0.0003604300000000, 0.0001611700000000 ] - [ 0.0000000000000000, 0.0002323400000000, 0.0001782800000000 ] - [ 0.0000000000000000, 0.0001476300000000, 0.0001920100000000 ] - [ 0.0000000000000000, -0.0000266600000000, 0.0000617600000000 ] - [ 0.0000000000000000, -0.0000452200000000, 0.0000553600000000 ] - [ -0.0000630200000000, 0.0015561700000000, 0.0005095700000000 ] - [ 0.0000630200000000, 0.0015561700000000, 0.0005095700000000 ] - [ 0.0000000000000000, 0.0001670200000000, 0.0025449100000000 ] - [ 0.0000000000000000, 0.0001664300000000, 0.0027385700000000 ] - [ 0.0000633100000000, -0.0014488100000000, 0.0006561000000000 ] - [ -0.0000633100000000, -0.0014488100000000, 0.0006561000000000 ] - [ 0.0063318800000000, -0.0033067100000000, 0.0058115800000000 ] - [ -0.0063318800000000, -0.0033067100000000, 0.0058115800000000 ] - [ -0.0062384200000000, 0.0032380900000000, 0.0057727500000000 ] - [ 0.0062384200000000, 0.0032380900000000, 0.0057727500000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0108062100000000, -0.0006786700000000, -0.0000606900000000 ] - [ -0.0054713800000000, -0.0006443700000000, 0.0000117300000000 ] - [ 0.0005190000000000, -0.0001574500000000, -0.0001436800000000 ] - [ -0.0005227300000000, -0.0001579000000000, -0.0001440500000000 ] - [ 0.0012691500000000, -0.0001543300000000, 0.0001475300000000 ] - [ -0.0011334900000000, -0.0001548000000000, 0.0001454700000000 ] - [ 0.0000234900000000, 0.0000721400000000, -0.0001888000000000 ] - [ -0.0000236000000000, 0.0000720800000000, -0.0001887600000000 ] - [ 0.0000476900000000, 0.0000065700000000, -0.0000038600000000 ] - [ 0.0000823900000000, 0.0000033900000000, -0.0000010300000000 ] - [ 0.0000000000000000, 0.0001722400000000, 0.0001633300000000 ] - [ -0.0000004700000000, 0.0001397600000000, 0.0001194500000000 ] - [ 0.0003497900000000, 0.0050235300000000, 0.0020570000000000 ] - [ -0.0000437800000000, -0.0054956500000000, -0.0015205800000000 ] - [ 0.0000035800000000, 0.0003618800000000, -0.0000101600000000 ] - [ 0.0000036800000000, -0.0003680800000000, 0.0000114000000000 ] - [ 0.0000000900000000, 0.0006498000000000, 0.0000001300000000 ] - [ 0.0000003000000000, 0.0006511700000000, 0.0000001900000000 ] - [ 0.0000205900000000, 0.0000716800000000, 0.0001887900000000 ] - [ -0.0000201400000000, 0.0000719200000000, 0.0001886000000000 ] - [ -0.0000232300000000, 0.0008851200000000, -0.0011746700000000 ] - [ -0.0000264000000000, -0.0010328900000000, 0.0007891300000000 ] - [ 0.0000004100000000, 0.0001249700000000, -0.0001660200000000 ] - [ 0.0000002700000000, 0.0001881100000000, -0.0001179600000000 ] - [ 0.0000000900000000, -0.0006498000000000, -0.0000001300000000 ] - [ 0.0000003000000000, -0.0006511700000000, -0.0000001900000000 ] - [ 0.0000000000000000, -0.0001722400000000, -0.0001633300000000 ] - [ -0.0000004700000000, -0.0001397600000000, -0.0001194500000000 ] - [ 0.0000004100000000, -0.0001249700000000, 0.0001660200000000 ] - [ 0.0000002700000000, -0.0001881100000000, 0.0001179600000000 ] - [ 0.0003497900000000, -0.0050235300000000, -0.0020570000000000 ] - [ -0.0000437800000000, 0.0054956500000000, 0.0015205800000000 ] - [ 0.0000035800000000, -0.0003618800000000, 0.0000101600000000 ] - [ 0.0000036800000000, 0.0003680800000000, -0.0000114000000000 ] - [ 0.0005190000000000, 0.0001574500000000, 0.0001436800000000 ] - [ -0.0005227300000000, 0.0001579000000000, 0.0001440500000000 ] - [ 0.0000234900000000, -0.0000721400000000, 0.0001888000000000 ] - [ -0.0000236000000000, -0.0000720800000000, 0.0001887600000000 ] - [ 0.0000476900000000, -0.0000065700000000, 0.0000038600000000 ] - [ 0.0000823900000000, -0.0000033900000000, 0.0000010300000000 ] - [ 0.0108062100000000, 0.0006786700000000, 0.0000606900000000 ] - [ -0.0054713800000000, 0.0006443700000000, -0.0000117300000000 ] - [ -0.0000232300000000, -0.0008851200000000, 0.0011746700000000 ] - [ -0.0000264000000000, 0.0010328900000000, -0.0007891300000000 ] - [ 0.0000205900000000, -0.0000716800000000, -0.0001887900000000 ] - [ -0.0000201400000000, -0.0000719200000000, -0.0001886000000000 ] - [ 0.0012691500000000, 0.0001543300000000, -0.0001475300000000 ] - [ -0.0011334900000000, 0.0001548000000000, -0.0001454700000000 ] - [ -0.0000022900000000, -0.0007962000000000, 0.0000000700000000 ] - [ 0.0000049900000000, -0.0007963300000000, 0.0000000200000000 ] - [ 0.0001304400000000, 0.0014533300000000, 0.0014371600000000 ] - [ 0.0001348800000000, 0.0001371700000000, -0.0014345800000000 ] - [ 0.0001304400000000, -0.0014533300000000, -0.0014371600000000 ] - [ 0.0001348800000000, -0.0001371700000000, 0.0014345800000000 ] - [ -0.0000022900000000, 0.0007962000000000, -0.0000000700000000 ] - [ 0.0000049900000000, 0.0007963300000000, -0.0000000200000000 ] - [ 0.0000056200000000, 0.0004661300000000, 0.0000000600000000 ] - [ 0.0000012100000000, 0.0004665300000000, 0.0000001900000000 ] - [ -0.0000038600000000, 0.0000528400000000, 0.0000975400000000 ] - [ 0.0000034700000000, 0.0000527700000000, 0.0000977300000000 ] - [ 0.0000190100000000, -0.0002695500000000, -0.0007199000000000 ] - [ 0.0000310200000000, 0.0001708300000000, 0.0005258000000000 ] - [ -0.0001237200000000, -0.0016082000000000, -0.0005440300000000 ] - [ -0.0001263700000000, 0.0006777200000000, 0.0005416700000000 ] - [ 0.0004799300000000, -0.0031948700000000, -0.0042452000000000 ] - [ 0.0005001000000000, 0.0030874600000000, 0.0044147500000000 ] - [ 0.0000049000000000, 0.0000527200000000, -0.0000973900000000 ] - [ -0.0000088800000000, 0.0000528100000000, -0.0000973200000000 ] - [ -0.0001237200000000, 0.0016082000000000, 0.0005440300000000 ] - [ -0.0001263700000000, -0.0006777200000000, -0.0005416700000000 ] - [ 0.0000190100000000, 0.0002695500000000, 0.0007199000000000 ] - [ 0.0000310200000000, -0.0001708300000000, -0.0005258000000000 ] - [ -0.0000038600000000, -0.0000528400000000, -0.0000975400000000 ] - [ 0.0000034700000000, -0.0000527700000000, -0.0000977300000000 ] - [ 0.0000056200000000, -0.0004661300000000, -0.0000000600000000 ] - [ 0.0000012100000000, -0.0004665300000000, -0.0000001900000000 ] - [ 0.0000049000000000, -0.0000527200000000, 0.0000973900000000 ] - [ -0.0000088800000000, -0.0000528100000000, 0.0000973200000000 ] - [ 0.0004799300000000, 0.0031948700000000, 0.0042452000000000 ] - [ 0.0005001000000000, -0.0030874600000000, -0.0044147500000000 ] - [ -0.0000016000000000, -0.0001140000000000, -0.0000181800000000 ] - [ -0.0000016100000000, -0.0000154900000000, -0.0001317600000000 ] - [ -0.0000741400000000, 0.0001113000000000, 0.0000103600000000 ] - [ 0.0000791700000000, 0.0001122600000000, 0.0000103900000000 ] - [ -0.0000017100000000, -0.0001837400000000, 0.0000000400000000 ] - [ 0.0000016800000000, -0.0001837300000000, -0.0000000100000000 ] - [ -0.0001418300000000, 0.0001125800000000, -0.0000106600000000 ] - [ 0.0001279700000000, 0.0001127700000000, -0.0000108900000000 ] - [ 0.0000868400000000, 0.0001378100000000, 0.0000146800000000 ] - [ 0.0000847900000000, -0.0003643000000000, -0.0000380700000000 ] - [ -0.0000099800000000, -0.0001168800000000, 0.0000307800000000 ] - [ -0.0000109200000000, -0.0001065300000000, -0.0000056200000000 ] - [ -0.0000005000000000, -0.0001051500000000, 0.0000335900000000 ] - [ -0.0000007700000000, -0.0000244100000000, 0.0001159000000000 ] - [ -0.0006756800000000, 0.0000662300000000, -0.0000724200000000 ] - [ 0.0006256600000000, 0.0000655400000000, -0.0000722400000000 ] - [ 0.0015497100000000, 0.0021569200000000, 0.0063022400000000 ] - [ 0.0015839900000000, -0.0017666200000000, -0.0062678000000000 ] - [ -0.0090223200000000, 0.0000486500000000, 0.0000744200000000 ] - [ 0.0170251900000000, 0.0000557900000000, 0.0000747700000000 ] - [ -0.0481507500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0119237800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011641000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011196000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0090223200000000, -0.0000486500000000, -0.0000744200000000 ] - [ 0.0170251900000000, -0.0000557900000000, -0.0000747700000000 ] - [ 0.0000868400000000, -0.0001378100000000, -0.0000146800000000 ] - [ 0.0000847900000000, 0.0003643000000000, 0.0000380700000000 ] - [ 0.0015497100000000, -0.0021569200000000, -0.0063022400000000 ] - [ 0.0015839900000000, 0.0017666200000000, 0.0062678000000000 ] - [ -0.0000099800000000, 0.0001168800000000, -0.0000307800000000 ] - [ -0.0000109200000000, 0.0001065300000000, 0.0000056200000000 ] - [ -0.0000741400000000, -0.0001113000000000, -0.0000103600000000 ] - [ 0.0000791700000000, -0.0001122600000000, -0.0000103900000000 ] - [ -0.0001418300000000, -0.0001125800000000, 0.0000106600000000 ] - [ 0.0001279700000000, -0.0001127700000000, 0.0000108900000000 ] - [ -0.0006756800000000, -0.0000662300000000, 0.0000724200000000 ] - [ 0.0006256600000000, -0.0000655400000000, 0.0000722400000000 ] - [ -0.0000005000000000, 0.0001051500000000, -0.0000335900000000 ] - [ -0.0000007700000000, 0.0000244100000000, -0.0001159000000000 ] - [ -0.0000017100000000, 0.0001837400000000, -0.0000000400000000 ] - [ 0.0000016800000000, 0.0001837300000000, 0.0000000100000000 ] - [ -0.0000016000000000, 0.0001140000000000, 0.0000181800000000 ] - [ -0.0000016100000000, 0.0000154900000000, 0.0001317600000000 ] - [ -0.0000001400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000001400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000001600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000000300000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0084878000000000, -0.0092384600000000 ] - [ 0.0000000000000000, 0.0060712200000000, -0.0012662600000000 ] - [ 0.0000000000000000, -0.0002860700000000, -0.0006592800000000 ] - [ 0.0000000000000000, -0.0003358900000000, -0.0006490000000000 ] - [ 0.0000000000000000, -0.0037684000000000, -0.0015108600000000 ] - [ 0.0000000000000000, -0.0033744300000000, -0.0014436600000000 ] - [ 0.0000000000000000, -0.0024063200000000, -0.0006646200000000 ] - [ 0.0000000000000000, -0.0024116400000000, -0.0006635300000000 ] - [ 0.0000000000000000, -0.0030700400000000, 0.0026032700000000 ] - [ 0.0000000000000000, -0.0032434000000000, 0.0028800700000000 ] - [ 0.0000093100000000, -0.0014778700000000, 0.0001296300000000 ] - [ -0.0000093100000000, -0.0014778700000000, 0.0001296300000000 ] - [ 0.0055514000000000, 0.0087358400000000, 0.0005157100000000 ] - [ -0.0055514000000000, 0.0087358400000000, 0.0005157100000000 ] - [ -0.0000107600000000, -0.0023038600000000, -0.0003147700000000 ] - [ 0.0000107600000000, -0.0023038600000000, -0.0003147700000000 ] - [ -0.0000001600000000, -0.0014312300000000, 0.0000239700000000 ] - [ 0.0000001600000000, -0.0014312300000000, 0.0000239700000000 ] - [ 0.0000000000000000, -0.0022758000000000, 0.0006464400000000 ] - [ 0.0000000000000000, -0.0022736400000000, 0.0006451400000000 ] - [ 0.0000218200000000, 0.0038721800000000, 0.0000915800000000 ] - [ -0.0000218200000000, 0.0038721800000000, 0.0000915800000000 ] - [ -0.0000046500000000, -0.0021180400000000, 0.0000018300000000 ] - [ 0.0000046500000000, -0.0021180400000000, 0.0000018300000000 ] - [ -0.0000000300000000, -0.0027316300000000, 0.0000237400000000 ] - [ 0.0000000300000000, -0.0027316300000000, 0.0000237400000000 ] - [ -0.0000096200000000, -0.0017888000000000, -0.0001524100000000 ] - [ 0.0000096200000000, -0.0017888000000000, -0.0001524100000000 ] - [ 0.0000047200000000, -0.0024311300000000, 0.0002845500000000 ] - [ -0.0000047200000000, -0.0024311300000000, 0.0002845500000000 ] - [ -0.0052734900000000, 0.0091492600000000, 0.0000389100000000 ] - [ 0.0052734900000000, 0.0091492600000000, 0.0000389100000000 ] - [ 0.0000101100000000, -0.0023004300000000, -0.0003154000000000 ] - [ -0.0000101100000000, -0.0023004300000000, -0.0003154000000000 ] - [ 0.0000000000000000, 0.0000308900000000, -0.0003748900000000 ] - [ 0.0000000000000000, -0.0000181900000000, -0.0003645100000000 ] - [ 0.0000000000000000, -0.0025449700000000, -0.0002908200000000 ] - [ 0.0000000000000000, -0.0025500500000000, -0.0002899800000000 ] - [ 0.0000000000000000, -0.0030843700000000, 0.0026161400000000 ] - [ 0.0000000000000000, -0.0032420900000000, 0.0028836600000000 ] - [ 0.0000000000000000, 0.0099068200000000, -0.0091528600000000 ] - [ 0.0000000000000000, 0.0073934100000000, -0.0012748400000000 ] - [ -0.0000230400000000, 0.0040273400000000, 0.0004602300000000 ] - [ 0.0000230400000000, 0.0040273400000000, 0.0004602300000000 ] - [ 0.0000000000000000, -0.0024140000000000, 0.0002725600000000 ] - [ 0.0000000000000000, -0.0024123000000000, 0.0002716500000000 ] - [ 0.0000000000000000, -0.0034698000000000, -0.0018096800000000 ] - [ 0.0000000000000000, -0.0030624200000000, -0.0017299500000000 ] - [ 0.0000000000000000, -0.0018382600000000, 0.0000698000000000 ] - [ 0.0000000000000000, -0.0018394700000000, 0.0000674000000000 ] - [ -0.0004068800000000, 0.0001850800000000, -0.0026188200000000 ] - [ 0.0004068800000000, 0.0001850800000000, -0.0026188200000000 ] - [ 0.0004062200000000, -0.0014094700000000, -0.0026283800000000 ] - [ -0.0004062200000000, -0.0014094700000000, -0.0026283800000000 ] - [ 0.0000000000000000, -0.0002463400000000, 0.0000698100000000 ] - [ 0.0000000000000000, -0.0002468400000000, 0.0000673900000000 ] - [ 0.0000000000000000, 0.0023970000000000, -0.0001774000000000 ] - [ 0.0000000000000000, 0.0024033000000000, -0.0001736900000000 ] - [ 0.0000000000000000, 0.0014777300000000, -0.0002417500000000 ] - [ 0.0000000000000000, 0.0014773800000000, -0.0002437300000000 ] - [ -0.0006415900000000, -0.0014068500000000, 0.0018629300000000 ] - [ 0.0006415900000000, -0.0014068500000000, 0.0018629300000000 ] - [ 0.0002934600000000, 0.0009991500000000, 0.0013673700000000 ] - [ -0.0002934600000000, 0.0009991500000000, 0.0013673700000000 ] - [ -0.0021909200000000, 0.0019303400000000, 0.0059114300000000 ] - [ 0.0021909200000000, 0.0019303400000000, 0.0059114300000000 ] - [ 0.0000000000000000, 0.0015749000000000, 0.0001139200000000 ] - [ 0.0000000000000000, 0.0015765700000000, 0.0001141000000000 ] - [ -0.0002932900000000, 0.0019389000000000, 0.0013697500000000 ] - [ 0.0002932900000000, 0.0019389000000000, 0.0013697500000000 ] - [ 0.0006365500000000, -0.0013174400000000, 0.0020702000000000 ] - [ -0.0006365500000000, -0.0013174400000000, 0.0020702000000000 ] - [ 0.0000000000000000, 0.0013765600000000, -0.0004432700000000 ] - [ 0.0000000000000000, 0.0013760500000000, -0.0004456500000000 ] - [ 0.0000000000000000, 0.0014598300000000, -0.0001774900000000 ] - [ 0.0000000000000000, 0.0014618000000000, -0.0001740500000000 ] - [ 0.0000000000000000, 0.0014742200000000, 0.0003150400000000 ] - [ 0.0000000000000000, 0.0014752700000000, 0.0003149600000000 ] - [ 0.0022057500000000, 0.0020348000000000, 0.0057367500000000 ] - [ -0.0022057500000000, 0.0020348000000000, 0.0057367500000000 ] - [ 0.0000095600000000, 0.0016299500000000, -0.0001945600000000 ] - [ -0.0000095600000000, 0.0016299500000000, -0.0001945600000000 ] - [ 0.0000000000000000, 0.0016770400000000, 0.0000393500000000 ] - [ 0.0000000000000000, 0.0018244500000000, 0.0000713100000000 ] - [ 0.0000000000000000, 0.0016235500000000, 0.0000190500000000 ] - [ 0.0000000000000000, 0.0016236200000000, 0.0000186500000000 ] - [ 0.0000000000000000, 0.0010079100000000, 0.0003173300000000 ] - [ 0.0000000000000000, 0.0009927800000000, 0.0002594700000000 ] - [ 0.0001515900000000, 0.0022370100000000, -0.0001685200000000 ] - [ -0.0001515900000000, 0.0022370100000000, -0.0001685200000000 ] - [ 0.0000180900000000, 0.0006688800000000, -0.0004775600000000 ] - [ -0.0000180900000000, 0.0006688800000000, -0.0004775600000000 ] - [ -0.0000001100000000, 0.0015029800000000, 0.0003024300000000 ] - [ 0.0000001100000000, 0.0015029800000000, 0.0003024300000000 ] - [ 0.0000000000000000, -0.0014206600000000, -0.0011962200000000 ] - [ 0.0000000000000000, -0.0014795000000000, -0.0011042600000000 ] - [ 0.0004420200000000, -0.0081132500000000, -0.0032849200000000 ] - [ -0.0004420200000000, -0.0081132500000000, -0.0032849200000000 ] - [ 0.0000000000000000, 0.0067718900000000, -0.0025760000000000 ] - [ 0.0000000000000000, 0.0101771700000000, -0.0023303500000000 ] - [ 0.0000000000000000, -0.0489730200000000, 0.0158978200000000 ] - [ 0.0000000000000000, -0.0133571300000000, 0.0039459900000000 ] - [ 0.0000000000000000, -0.0038139900000000, 0.0005971500000000 ] - [ 0.0000000000000000, -0.0032610200000000, -0.0003397200000000 ] - [ 0.0000000000000000, 0.0067271200000000, -0.0027765500000000 ] - [ 0.0000000000000000, 0.0100850800000000, -0.0024794900000000 ] - [ -0.0001480300000000, 0.0024635800000000, -0.0001446000000000 ] - [ 0.0001480300000000, 0.0024635800000000, -0.0001446000000000 ] - [ -0.0004781400000000, -0.0084986000000000, -0.0032597700000000 ] - [ 0.0004781400000000, -0.0084986000000000, -0.0032597700000000 ] - [ -0.0000162200000000, 0.0008912400000000, -0.0005032900000000 ] - [ 0.0000162200000000, 0.0008912400000000, -0.0005032900000000 ] - [ 0.0000000000000000, 0.0014542600000000, 0.0000184900000000 ] - [ 0.0000000000000000, 0.0016003800000000, 0.0000507200000000 ] - [ 0.0000000000000000, 0.0007824200000000, 0.0003394800000000 ] - [ 0.0000000000000000, 0.0007668900000000, 0.0002813300000000 ] - [ 0.0000000000000000, -0.0015614500000000, -0.0010542900000000 ] - [ 0.0000000000000000, -0.0016185100000000, -0.0009584700000000 ] - [ 0.0000002900000000, 0.0016332300000000, 0.0001532300000000 ] - [ -0.0000002900000000, 0.0016332300000000, 0.0001532300000000 ] - [ 0.0000000000000000, 0.0019914600000000, 0.0000188900000000 ] - [ 0.0000000000000000, 0.0019914600000000, 0.0000185400000000 ] - [ -0.0000093900000000, 0.0017605700000000, -0.0000450100000000 ] - [ 0.0000093900000000, 0.0017605700000000, -0.0000450100000000 ] - [ 0.0000000100000000, 0.0017167900000000, -0.0000250000000000 ] - [ -0.0000000100000000, 0.0017167900000000, -0.0000250000000000 ] - [ 0.0000000200000000, 0.0016423600000000, 0.0000041000000000 ] - [ -0.0000000200000000, 0.0016423600000000, 0.0000041000000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0116014800000000, -0.0130670700000000 ] - [ 0.0000000000000000, -0.0037585800000000, 0.0000521300000000 ] - [ 0.0000000000000000, -0.0005495300000000, -0.0011597000000000 ] - [ 0.0000000000000000, -0.0006686200000000, -0.0011467200000000 ] - [ 0.0000000000000000, -0.0000879800000000, 0.0020052800000000 ] - [ 0.0000000000000000, -0.0000770800000000, 0.0020868000000000 ] - [ 0.0000000000000000, 0.0000925400000000, -0.0001148000000000 ] - [ 0.0000000000000000, 0.0000917100000000, -0.0001108700000000 ] - [ 0.0000000000000000, 0.0015791200000000, -0.0009442700000000 ] - [ 0.0000000000000000, 0.0016409900000000, -0.0009989800000000 ] - [ 0.0000014700000000, 0.0001898500000000, -0.0001035900000000 ] - [ -0.0000014700000000, 0.0001898500000000, -0.0001035900000000 ] - [ -0.0019554400000000, 0.0031859200000000, 0.0107290200000000 ] - [ 0.0019554400000000, 0.0031859200000000, 0.0107290200000000 ] - [ -0.0000132400000000, -0.0004339900000000, 0.0000986700000000 ] - [ 0.0000132400000000, -0.0004339900000000, 0.0000986700000000 ] - [ 0.0000021400000000, 0.0007034400000000, -0.0000074800000000 ] - [ -0.0000021400000000, 0.0007034400000000, -0.0000074800000000 ] - [ 0.0000000000000000, 0.0000556900000000, 0.0001218200000000 ] - [ 0.0000000000000000, 0.0000538900000000, 0.0001184400000000 ] - [ -0.0001005400000000, 0.0016405100000000, -0.0045149800000000 ] - [ 0.0001005400000000, 0.0016405100000000, -0.0045149800000000 ] - [ 0.0000002700000000, 0.0003958700000000, 0.0000659300000000 ] - [ -0.0000002700000000, 0.0003958700000000, 0.0000659300000000 ] - [ -0.0000015900000000, -0.0005969800000000, -0.0000080100000000 ] - [ 0.0000015900000000, -0.0005969800000000, -0.0000080100000000 ] - [ -0.0000015300000000, -0.0001242200000000, -0.0003852200000000 ] - [ 0.0000015300000000, -0.0001242200000000, -0.0003852200000000 ] - [ 0.0000000800000000, 0.0000851900000000, 0.0003461200000000 ] - [ -0.0000000800000000, 0.0000851900000000, 0.0003461200000000 ] - [ 0.0019897000000000, 0.0033325500000000, 0.0103487500000000 ] - [ -0.0019897000000000, 0.0033325500000000, 0.0103487500000000 ] - [ 0.0000128600000000, -0.0004353000000000, 0.0001017500000000 ] - [ -0.0000128600000000, -0.0004353000000000, 0.0001017500000000 ] - [ 0.0000000000000000, -0.0002469200000000, -0.0008821400000000 ] - [ 0.0000000000000000, -0.0003659500000000, -0.0008699500000000 ] - [ 0.0000000000000000, -0.0000323700000000, 0.0002600800000000 ] - [ 0.0000000000000000, -0.0000335500000000, 0.0002642200000000 ] - [ 0.0000000000000000, 0.0015809300000000, -0.0009578000000000 ] - [ 0.0000000000000000, 0.0016544700000000, -0.0010217100000000 ] - [ 0.0000000000000000, -0.0103540300000000, -0.0129922500000000 ] - [ 0.0000000000000000, -0.0024794700000000, 0.0000753800000000 ] - [ 0.0000954500000000, 0.0017436400000000, -0.0041379500000000 ] - [ -0.0000954500000000, 0.0017436400000000, -0.0041379500000000 ] - [ 0.0000000000000000, -0.0000717800000000, -0.0002531100000000 ] - [ 0.0000000000000000, -0.0000733400000000, -0.0002559100000000 ] - [ 0.0000000000000000, 0.0002290500000000, 0.0017378800000000 ] - [ 0.0000000000000000, 0.0002471200000000, 0.0018283600000000 ] - [ 0.0000000000000000, -0.0006937500000000, -0.0000188500000000 ] - [ 0.0000000000000000, -0.0006802500000000, -0.0000243900000000 ] - [ -0.0003739900000000, 0.0002715600000000, 0.0000095300000000 ] - [ 0.0003739900000000, 0.0002715600000000, 0.0000095300000000 ] - [ 0.0003749300000000, -0.0013273600000000, 0.0000228700000000 ] - [ -0.0003749300000000, -0.0013273600000000, 0.0000228700000000 ] - [ 0.0000000000000000, 0.0009006600000000, -0.0000196900000000 ] - [ 0.0000000000000000, 0.0009140600000000, -0.0000252200000000 ] - [ 0.0000000000000000, 0.0001329500000000, 0.0000514800000000 ] - [ 0.0000000000000000, 0.0000850700000000, 0.0000533900000000 ] - [ 0.0000000000000000, -0.0000154000000000, 0.0001753700000000 ] - [ 0.0000000000000000, -0.0000201900000000, 0.0001802300000000 ] - [ -0.0013063500000000, 0.0014377900000000, 0.0016129400000000 ] - [ 0.0013063500000000, 0.0014377900000000, 0.0016129400000000 ] - [ 0.0002465800000000, 0.0003767400000000, -0.0000489500000000 ] - [ -0.0002465800000000, 0.0003767400000000, -0.0000489500000000 ] - [ -0.0017169700000000, 0.0016863800000000, -0.0028885400000000 ] - [ 0.0017169700000000, 0.0016863800000000, -0.0028885400000000 ] - [ 0.0000000000000000, -0.0000457600000000, -0.0001354500000000 ] - [ 0.0000000000000000, -0.0000555100000000, -0.0001417300000000 ] - [ -0.0002461900000000, 0.0013124500000000, -0.0000558400000000 ] - [ 0.0002461900000000, 0.0013124500000000, -0.0000558400000000 ] - [ 0.0013234400000000, 0.0015668900000000, 0.0017987900000000 ] - [ -0.0013234400000000, 0.0015668900000000, 0.0017987900000000 ] - [ 0.0000000000000000, -0.0001225800000000, -0.0000132500000000 ] - [ 0.0000000000000000, -0.0001272200000000, -0.0000089100000000 ] - [ 0.0000000000000000, -0.0007993500000000, 0.0000530300000000 ] - [ 0.0000000000000000, -0.0008490400000000, 0.0000547900000000 ] - [ 0.0000000000000000, -0.0001533600000000, 0.0000542500000000 ] - [ 0.0000000000000000, -0.0001632000000000, 0.0000483100000000 ] - [ 0.0017251900000000, 0.0018027000000000, -0.0031190600000000 ] - [ -0.0017251900000000, 0.0018027000000000, -0.0031190600000000 ] - [ 0.0000043000000000, -0.0000214000000000, -0.0001934100000000 ] - [ -0.0000043000000000, -0.0000214000000000, -0.0001934100000000 ] - [ 0.0000000000000000, 0.0001396900000000, -0.0002297000000000 ] - [ 0.0000000000000000, 0.0002095700000000, -0.0001910900000000 ] - [ 0.0000000000000000, -0.0002237900000000, -0.0000043500000000 ] - [ 0.0000000000000000, -0.0002253800000000, -0.0000048400000000 ] - [ 0.0000000000000000, 0.0003288200000000, 0.0001467600000000 ] - [ 0.0000000000000000, 0.0004006500000000, 0.0000983000000000 ] - [ -0.0000085500000000, -0.0007504500000000, -0.0005617100000000 ] - [ 0.0000085500000000, -0.0007504500000000, -0.0005617100000000 ] - [ 0.0000033100000000, -0.0002192900000000, 0.0006997600000000 ] - [ -0.0000033100000000, -0.0002192900000000, 0.0006997600000000 ] - [ 0.0000044400000000, 0.0000110500000000, 0.0001557500000000 ] - [ -0.0000044400000000, 0.0000110500000000, 0.0001557500000000 ] - [ 0.0000000000000000, -0.0005954400000000, 0.0009433600000000 ] - [ 0.0000000000000000, -0.0005404600000000, 0.0010023800000000 ] - [ 0.0058242500000000, -0.0012463800000000, 0.0058093400000000 ] - [ -0.0058242500000000, -0.0012463800000000, 0.0058093400000000 ] - [ 0.0000000000000000, -0.0039847200000000, -0.0005387100000000 ] - [ 0.0000000000000000, -0.0052064700000000, 0.0012265200000000 ] - [ 0.0000000000000000, 0.0158940100000000, -0.0244716800000000 ] - [ 0.0000000000000000, 0.0039457100000000, -0.0040828200000000 ] - [ 0.0000000000000000, -0.0005973500000000, 0.0038339100000000 ] - [ 0.0000000000000000, 0.0003395800000000, 0.0024191800000000 ] - [ 0.0000000000000000, -0.0041231900000000, -0.0006684700000000 ] - [ 0.0000000000000000, -0.0054045100000000, 0.0010821100000000 ] - [ 0.0000119900000000, -0.0005344600000000, -0.0005419500000000 ] - [ -0.0000119900000000, -0.0005344600000000, -0.0005419500000000 ] - [ -0.0057389900000000, -0.0015803900000000, 0.0057750100000000 ] - [ 0.0057389900000000, -0.0015803900000000, 0.0057750100000000 ] - [ -0.0000026400000000, 0.0000078000000000, 0.0006836300000000 ] - [ 0.0000026400000000, 0.0000078000000000, 0.0006836300000000 ] - [ 0.0000000000000000, -0.0000848400000000, -0.0002542400000000 ] - [ 0.0000000000000000, -0.0000160700000000, -0.0002151300000000 ] - [ 0.0000000000000000, 0.0001080800000000, 0.0001690400000000 ] - [ 0.0000000000000000, 0.0001805800000000, 0.0001203300000000 ] - [ 0.0000000000000000, -0.0007112600000000, 0.0010959200000000 ] - [ 0.0000000000000000, -0.0006565100000000, 0.0011589700000000 ] - [ -0.0000045700000000, 0.0001419400000000, 0.0000101100000000 ] - [ 0.0000045700000000, 0.0001419400000000, 0.0000101100000000 ] - [ 0.0000000000000000, 0.0001449500000000, -0.0000054000000000 ] - [ 0.0000000000000000, 0.0001436600000000, -0.0000053200000000 ] - [ -0.0000041300000000, 0.0001086200000000, -0.0000485700000000 ] - [ 0.0000041300000000, 0.0001086200000000, -0.0000485700000000 ] - [ 0.0000000300000000, -0.0000250900000000, -0.0000257900000000 ] - [ -0.0000000300000000, -0.0000250900000000, -0.0000257900000000 ] - [ 0.0000000600000000, -0.0000042500000000, 0.0000313000000000 ] - [ -0.0000000600000000, -0.0000042500000000, 0.0000313000000000 ]