# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c6e28b71-f60e-471f-b2ac-4a33943a4490/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 Mg4Al9Cu(SiO4)9 / P2 (3) / materials id 695202](https://mdr.nims.go.jp/datasets/8690ed0e-4156-4f4a-b780-abadaca365e1) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2" number: 3 Hall_symbol: "P 2y"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.751525200000000, 0.000000000000000, 0.016384110000000 ] # a - [ 0.000000000000000, 9.443076690000000, 0.000000000000000 ] # b - [ -4.830021630000000, 0.000000000000000, 8.503734529999999 ] # c points: - symbol: Mg # 1 coordinates: [ 0.340066400000000, 0.249627900000000, 0.677276420000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.341773310000000, 0.747993130000000, 0.679585170000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.659933600000000, 0.249627900000000, 0.322723580000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.658226690000000, 0.747993130000000, 0.320414830000000 ] mass: 24.305000 - symbol: Al # 5 coordinates: [ 0.257438920000000, 0.498371130000000, 0.891666660000000 ] mass: 26.981539 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.746538520000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 7 coordinates: [ 0.647855130000000, 0.998264840000000, 0.899090460000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.500000000000000, 0.252753120000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 9 coordinates: [ 0.500000000000000, 0.743031760000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.000000000000000, 0.246780600000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.000000000000000, 0.750049890000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.352144870000000, 0.998264840000000, 0.100909540000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.742561080000000, 0.498371130000000, 0.108333340000000 ] mass: 26.981539 - symbol: Cu # 14 coordinates: [ 0.000000000000000, 0.000646710000000, 0.000000000000000 ] mass: 63.546000 - symbol: Si # 15 coordinates: [ 0.094870770000000, 0.998680120000000, 0.728183890000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.627637780000000, 0.497860870000000, 0.732656540000000 ] mass: 28.085500 - symbol: Si # 17 coordinates: [ 0.115948500000000, 0.496680340000000, 0.387547870000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.724822660000000, 0.999516290000000, 0.606637790000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.275177340000000, 0.999516290000000, 0.393362210000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.884051500000000, 0.496680340000000, 0.612452130000000 ] mass: 28.085500 - symbol: Si # 21 coordinates: [ 0.372362220000000, 0.497860870000000, 0.267343460000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.905129230000000, 0.998680120000000, 0.271816110000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.500000000000000, 0.249429340000000, 0.000000000000000 ] mass: 28.085500 - symbol: O # 24 coordinates: [ 0.162864420000000, 0.998625880000000, 0.919911050000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.059912810000000, 0.488031590000000, 0.754202360000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.346890590000000, 0.643293960000000, 0.858801010000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.353894400000000, 0.344645840000000, 0.871307310000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.534016480000000, 0.150852540000000, 0.882067010000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.524825900000000, 0.855445600000000, 0.867424410000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.139802540000000, 0.140669550000000, 0.661034880000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.137830980000000, 0.857339450000000, 0.659470010000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.710137970000000, 0.497002900000000, 0.918097510000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.718821070000000, 0.007220510000000, 0.767316690000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.147800040000000, 0.355318420000000, 0.499737890000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.143327990000000, 0.642018830000000, 0.491869930000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.515766100000000, 0.356772310000000, 0.655531290000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.516245100000000, 0.638309590000000, 0.654679010000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.358602370000000, 0.138539740000000, 0.503532180000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.353796700000000, 0.855715110000000, 0.494737480000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.752786600000000, 0.495711650000000, 0.667943960000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.094649870000000, 0.001577010000000, 0.355090430000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.905350130000000, 0.001577010000000, 0.644909570000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.247213400000000, 0.495711650000000, 0.332056040000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.641397630000000, 0.138539740000000, 0.496467820000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.646203300000000, 0.855715110000000, 0.505262520000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.484233900000000, 0.356772310000000, 0.344468710000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.483754900000000, 0.638309590000000, 0.345320990000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.852199960000000, 0.355318420000000, 0.500262110000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.856672010000000, 0.642018830000000, 0.508130070000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.281178930000000, 0.007220510000000, 0.232683310000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.289862030000000, 0.497002900000000, 0.081902490000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.862169020000000, 0.857339450000000, 0.340529990000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.860197460000000, 0.140669550000000, 0.338965120000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.465983520000000, 0.150852540000000, 0.117932990000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.475174100000000, 0.855445600000000, 0.132575590000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.646105600000000, 0.344645840000000, 0.128692690000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.653109410000000, 0.643293960000000, 0.141198990000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.940087190000000, 0.488031590000000, 0.245797640000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.837135580000000, 0.998625880000000, 0.080088950000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.102450291506037, 0.000000000000000, 0.058190565830606 ] # a* - [ 0.000000000000000, 0.105897689156647, 0.000000000000000 ] # b* - [ -0.000197390551133, 0.000000000000000, 0.117483277005411 ] # c*unit_cell: lattice: - [ 9.751525200000000, 0.000000000000000, 0.016384110000000 ] # a - [ 0.000000000000000, 9.443076690000000, 0.000000000000000 ] # b - [ -4.830021630000000, 0.000000000000000, 8.503734529999999 ] # c points: - symbol: Mg # 1 coordinates: [ 0.340066400000000, 0.249627900000000, 0.677276420000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.341773310000000, 0.747993130000000, 0.679585170000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.659933600000000, 0.249627900000000, 0.322723580000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.658226690000000, 0.747993130000000, 0.320414830000000 ] mass: 24.305000 reduced_to: 4 - symbol: Al # 5 coordinates: [ 0.257438920000000, 0.498371130000000, 0.891666660000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.746538520000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.647855130000000, 0.998264840000000, 0.899090460000000 ] mass: 26.981539 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.500000000000000, 0.252753120000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.500000000000000, 0.743031760000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.000000000000000, 0.246780600000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.000000000000000, 0.750049890000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.352144870000000, 0.998264840000000, 0.100909540000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.742561080000000, 0.498371130000000, 0.108333340000000 ] mass: 26.981539 reduced_to: 13 - symbol: Cu # 14 coordinates: [ 0.000000000000000, 0.000646710000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.094870770000000, 0.998680120000000, 0.728183890000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.627637780000000, 0.497860870000000, 0.732656540000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.115948500000000, 0.496680340000000, 0.387547870000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.724822660000000, 0.999516290000000, 0.606637790000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.275177340000000, 0.999516290000000, 0.393362210000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.884051500000000, 0.496680340000000, 0.612452130000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.372362220000000, 0.497860870000000, 0.267343460000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.905129230000000, 0.998680120000000, 0.271816110000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.500000000000000, 0.249429340000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.162864420000000, 0.998625880000000, 0.919911050000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.059912810000000, 0.488031590000000, 0.754202360000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.346890590000000, 0.643293960000000, 0.858801010000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.353894400000000, 0.344645840000000, 0.871307310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.534016480000000, 0.150852540000000, 0.882067010000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.524825900000000, 0.855445600000000, 0.867424410000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.139802540000000, 0.140669550000000, 0.661034880000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.137830980000000, 0.857339450000000, 0.659470010000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.710137970000000, 0.497002900000000, 0.918097510000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.718821070000000, 0.007220510000000, 0.767316690000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.147800040000000, 0.355318420000000, 0.499737890000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.143327990000000, 0.642018830000000, 0.491869930000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.515766100000000, 0.356772310000000, 0.655531290000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.516245100000000, 0.638309590000000, 0.654679010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.358602370000000, 0.138539740000000, 0.503532180000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.353796700000000, 0.855715110000000, 0.494737480000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.752786600000000, 0.495711650000000, 0.667943960000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.094649870000000, 0.001577010000000, 0.355090430000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.905350130000000, 0.001577010000000, 0.644909570000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.247213400000000, 0.495711650000000, 0.332056040000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.641397630000000, 0.138539740000000, 0.496467820000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.646203300000000, 0.855715110000000, 0.505262520000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.484233900000000, 0.356772310000000, 0.344468710000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.483754900000000, 0.638309590000000, 0.345320990000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.852199960000000, 0.355318420000000, 0.500262110000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.856672010000000, 0.642018830000000, 0.508130070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.281178930000000, 0.007220510000000, 0.232683310000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.289862030000000, 0.497002900000000, 0.081902490000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.862169020000000, 0.857339450000000, 0.340529990000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.860197460000000, 0.140669550000000, 0.338965120000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.465983520000000, 0.150852540000000, 0.117932990000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.475174100000000, 0.855445600000000, 0.132575590000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.646105600000000, 0.344645840000000, 0.128692690000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.653109410000000, 0.643293960000000, 0.141198990000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.940087190000000, 0.488031590000000, 0.245797640000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.837135580000000, 0.998625880000000, 0.080088950000000 ] mass: 15.999400 reduced_to: 59supercell: lattice: - [ 9.751525200000000, 0.000000000000000, 0.016384110000000 ] # a - [ 0.000000000000000, 18.886153380000000, 0.000000000000000 ] # b - [ -4.830021630000000, 0.000000000000000, 8.503734529999999 ] # c points: - symbol: Mg # 1 coordinates: [ 0.340066400000000, 0.124813950000000, 0.677276420000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.340066400000000, 0.624813950000000, 0.677276420000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 3 coordinates: [ 0.341773310000000, 0.373996565000000, 0.679585170000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.341773310000000, 0.873996565000000, 0.679585170000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 5 coordinates: [ 0.659933600000000, 0.124813950000000, 0.322723580000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.659933600000000, 0.624813950000000, 0.322723580000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 7 coordinates: [ 0.658226690000000, 0.373996565000000, 0.320414830000000 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.658226690000000, 0.873996565000000, 0.320414830000000 ] mass: 24.305000 reduced_to: 7 - symbol: Al # 9 coordinates: [ 0.257438920000000, 0.249185565000000, 0.891666660000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.257438920000000, 0.749185565000000, 0.891666660000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 11 coordinates: [ 0.500000000000000, 0.373269260000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.500000000000000, 0.873269260000000, 0.000000000000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 13 coordinates: [ 0.647855130000000, 0.499132420000000, 0.899090460000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.647855130000000, 0.999132420000000, 0.899090460000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 15 coordinates: [ 0.500000000000000, 0.126376560000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.500000000000000, 0.626376560000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 17 coordinates: [ 0.500000000000000, 0.371515880000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.500000000000000, 0.871515880000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 19 coordinates: [ 0.000000000000000, 0.123390300000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.000000000000000, 0.623390300000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 21 coordinates: [ 0.000000000000000, 0.375024945000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.000000000000000, 0.875024945000000, 0.500000000000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 23 coordinates: [ 0.352144870000000, 0.499132420000000, 0.100909540000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.352144870000000, 0.999132420000000, 0.100909540000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 25 coordinates: [ 0.742561080000000, 0.249185565000000, 0.108333340000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.742561080000000, 0.749185565000000, 0.108333340000000 ] mass: 26.981539 reduced_to: 25 - symbol: Cu # 27 coordinates: [ 0.000000000000000, 0.000323355000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 27 - symbol: Cu # 28 coordinates: [ 0.000000000000000, 0.500323355000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 27 - symbol: Si # 29 coordinates: [ 0.094870770000000, 0.499340060000000, 0.728183890000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.094870770000000, 0.999340060000000, 0.728183890000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 31 coordinates: [ 0.627637780000000, 0.248930435000000, 0.732656540000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.627637780000000, 0.748930435000000, 0.732656540000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 33 coordinates: [ 0.115948500000000, 0.248340170000000, 0.387547870000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.115948500000000, 0.748340170000000, 0.387547870000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.724822660000000, 0.499758145000000, 0.606637790000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.724822660000000, 0.999758145000000, 0.606637790000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 37 coordinates: [ 0.275177340000000, 0.499758145000000, 0.393362210000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.275177340000000, 0.999758145000000, 0.393362210000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.884051500000000, 0.248340170000000, 0.612452130000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.884051500000000, 0.748340170000000, 0.612452130000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 41 coordinates: [ 0.372362220000000, 0.248930435000000, 0.267343460000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.372362220000000, 0.748930435000000, 0.267343460000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.905129230000000, 0.499340060000000, 0.271816110000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.905129230000000, 0.999340060000000, 0.271816110000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 45 coordinates: [ 0.500000000000000, 0.124714670000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.500000000000000, 0.624714670000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.162864420000000, 0.499312940000000, 0.919911050000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.162864420000000, 0.999312940000000, 0.919911050000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.059912810000000, 0.244015795000000, 0.754202360000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.059912810000000, 0.744015795000000, 0.754202360000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.346890590000000, 0.321646980000000, 0.858801010000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.346890590000000, 0.821646980000000, 0.858801010000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.353894400000000, 0.172322920000000, 0.871307310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.353894400000000, 0.672322920000000, 0.871307310000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.534016480000000, 0.075426270000000, 0.882067010000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.534016480000000, 0.575426270000000, 0.882067010000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.524825900000000, 0.427722800000000, 0.867424410000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.524825900000000, 0.927722800000000, 0.867424410000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.139802540000000, 0.070334775000000, 0.661034880000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.139802540000000, 0.570334775000000, 0.661034880000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.137830980000000, 0.428669725000000, 0.659470010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.137830980000000, 0.928669725000000, 0.659470010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.710137970000000, 0.248501450000000, 0.918097510000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.710137970000000, 0.748501450000000, 0.918097510000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.718821070000000, 0.003610255000000, 0.767316690000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.718821070000000, 0.503610255000000, 0.767316690000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.147800040000000, 0.177659210000000, 0.499737890000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.147800040000000, 0.677659210000000, 0.499737890000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.143327990000000, 0.321009415000000, 0.491869930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.143327990000000, 0.821009415000000, 0.491869930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.515766100000000, 0.178386155000000, 0.655531290000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.515766100000000, 0.678386155000000, 0.655531290000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.516245100000000, 0.319154795000000, 0.654679010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.516245100000000, 0.819154795000000, 0.654679010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.358602370000000, 0.069269870000000, 0.503532180000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.358602370000000, 0.569269870000000, 0.503532180000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.353796700000000, 0.427857555000000, 0.494737480000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.353796700000000, 0.927857555000000, 0.494737480000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.752786600000000, 0.247855825000000, 0.667943960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.752786600000000, 0.747855825000000, 0.667943960000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.094649870000000, 0.000788505000000, 0.355090430000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.094649870000000, 0.500788505000000, 0.355090430000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.905350130000000, 0.000788505000000, 0.644909570000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.905350130000000, 0.500788505000000, 0.644909570000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.247213400000000, 0.247855825000000, 0.332056040000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.247213400000000, 0.747855825000000, 0.332056040000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.641397630000000, 0.069269870000000, 0.496467820000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.641397630000000, 0.569269870000000, 0.496467820000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.646203300000000, 0.427857555000000, 0.505262520000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.646203300000000, 0.927857555000000, 0.505262520000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.484233900000000, 0.178386155000000, 0.344468710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.484233900000000, 0.678386155000000, 0.344468710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.483754900000000, 0.319154795000000, 0.345320990000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.483754900000000, 0.819154795000000, 0.345320990000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.852199960000000, 0.177659210000000, 0.500262110000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.852199960000000, 0.677659210000000, 0.500262110000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.856672010000000, 0.321009415000000, 0.508130070000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.856672010000000, 0.821009415000000, 0.508130070000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.281178930000000, 0.003610255000000, 0.232683310000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.281178930000000, 0.503610255000000, 0.232683310000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.289862030000000, 0.248501450000000, 0.081902490000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.289862030000000, 0.748501450000000, 0.081902490000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.862169020000000, 0.428669725000000, 0.340529990000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.862169020000000, 0.928669725000000, 0.340529990000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.860197460000000, 0.070334775000000, 0.338965120000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.860197460000000, 0.570334775000000, 0.338965120000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.465983520000000, 0.075426270000000, 0.117932990000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.465983520000000, 0.575426270000000, 0.117932990000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.475174100000000, 0.427722800000000, 0.132575590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.475174100000000, 0.927722800000000, 0.132575590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.646105600000000, 0.172322920000000, 0.128692690000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.646105600000000, 0.672322920000000, 0.128692690000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.653109410000000, 0.321646980000000, 0.141198990000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.653109410000000, 0.821646980000000, 0.141198990000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.940087190000000, 0.244015795000000, 0.245797640000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.940087190000000, 0.744015795000000, 0.245797640000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.837135580000000, 0.499312940000000, 0.080088950000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.837135580000000, 0.999312940000000, 0.080088950000000 ] mass: 15.999400 reduced_to: 117displacements:- atom: 1 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.1067398400000000, 0.0045614100000000, 0.0120448000000000 ] - [ -0.0001400800000000, 0.0000825700000000, 0.0000515000000000 ] - [ -0.0022217400000000, 0.0000715500000000, -0.0000591400000000 ] - [ -0.0021501100000000, 0.0000180000000000, 0.0000510100000000 ] - [ 0.0031367300000000, -0.0000550800000000, -0.0001155200000000 ] - [ 0.0001013300000000, 0.0000807200000000, -0.0000580900000000 ] - [ 0.0006229500000000, -0.0000014100000000, 0.0000049400000000 ] - [ 0.0006100600000000, -0.0000084100000000, 0.0000482300000000 ] - [ 0.0025406900000000, -0.0068317800000000, -0.0049533900000000 ] - [ -0.0002553800000000, 0.0002883900000000, -0.0002387400000000 ] - [ -0.0010091500000000, -0.0002651200000000, -0.0003108100000000 ] - [ -0.0008739300000000, -0.0004775600000000, 0.0003338900000000 ] - [ -0.0000859100000000, 0.0003140200000000, 0.0001777900000000 ] - [ 0.0034300900000000, -0.0065985800000000, 0.0039955400000000 ] - [ 0.0229419300000000, -0.0028269900000000, -0.0219025800000000 ] - [ 0.0000049700000000, -0.0000457100000000, -0.0000345200000000 ] - [ 0.0004005000000000, 0.0018162900000000, -0.0020315500000000 ] - [ 0.0009250900000000, -0.0013408400000000, -0.0001506300000000 ] - [ 0.0217934500000000, -0.0023871500000000, 0.0206488400000000 ] - [ 0.0000013700000000, 0.0001943300000000, 0.0000423800000000 ] - [ 0.0008993700000000, -0.0014401200000000, 0.0002003300000000 ] - [ 0.0003421300000000, 0.0018049500000000, 0.0019897100000000 ] - [ 0.0000878200000000, -0.0000015900000000, -0.0001268700000000 ] - [ -0.0003321200000000, 0.0001800600000000, -0.0037971900000000 ] - [ -0.0001483000000000, -0.0000389300000000, 0.0048904500000000 ] - [ 0.0002152600000000, 0.0000148300000000, 0.0002055900000000 ] - [ 0.0012635400000000, -0.0001382400000000, -0.0004267900000000 ] - [ 0.0000543800000000, -0.0000166100000000, 0.0000202700000000 ] - [ 0.0003220900000000, -0.0003760300000000, 0.0000859200000000 ] - [ 0.0109581200000000, 0.0171058500000000, -0.0062640000000000 ] - [ 0.0109811800000000, 0.0178614700000000, 0.0073201000000000 ] - [ 0.0003240600000000, -0.0003588900000000, 0.0004848100000000 ] - [ -0.0055146500000000, -0.0091384500000000, 0.0068682800000000 ] - [ -0.0004810500000000, 0.0004654500000000, 0.0003078100000000 ] - [ 0.0002850500000000, 0.0004818300000000, 0.0000291900000000 ] - [ 0.0079727000000000, -0.0030198000000000, 0.0005752000000000 ] - [ -0.0001848300000000, 0.0003446600000000, -0.0001548500000000 ] - [ -0.0059185300000000, -0.0090239100000000, -0.0067112300000000 ] - [ 0.0089865400000000, -0.0026241900000000, -0.0004823700000000 ] - [ 0.0006091100000000, 0.0006064400000000, -0.0001943200000000 ] - [ -0.0022390200000000, 0.0027404800000000, -0.0045416800000000 ] - [ -0.0001666100000000, -0.0002183900000000, -0.0006009500000000 ] - [ -0.0001778200000000, -0.0002304400000000, 0.0000258000000000 ] - [ -0.0019787500000000, 0.0024862200000000, 0.0033870100000000 ] - [ -0.0175198700000000, 0.0097776900000000, -0.0004150800000000 ] - [ -0.0000751300000000, 0.0001643300000000, 0.0000044100000000 ] - [ -0.0002148700000000, 0.0001047900000000, 0.0001016300000000 ] - [ -0.0025012100000000, -0.0023536800000000, 0.0052117500000000 ] - [ -0.0038426500000000, 0.0026270200000000, -0.0004812500000000 ] - [ 0.0001005300000000, -0.0002022300000000, 0.0000070000000000 ] - [ 0.0012491800000000, 0.0020025900000000, 0.0002491700000000 ] - [ 0.0005840500000000, -0.0000221400000000, 0.0002575100000000 ] - [ 0.0150817800000000, -0.0076693800000000, -0.0066796600000000 ] - [ 0.0001971400000000, -0.0001270300000000, 0.0000131200000000 ] - [ 0.0108987700000000, -0.0026473300000000, -0.0026363800000000 ] - [ -0.0000321900000000, -0.0001076000000000, -0.0000362300000000 ] - [ 0.0004682600000000, -0.0001551900000000, -0.0003045000000000 ] - [ 0.0009896400000000, 0.0020738400000000, -0.0001955600000000 ] - [ 0.0071497100000000, -0.0026084600000000, 0.0021834200000000 ] - [ -0.0000479200000000, -0.0000205500000000, 0.0001063700000000 ] - [ -0.0001284400000000, 0.0006889800000000, 0.0003538500000000 ] - [ 0.0002347200000000, -0.0057707500000000, -0.0008805500000000 ] - [ -0.0004916900000000, -0.0030756200000000, -0.0062252100000000 ] - [ 0.0000344900000000, 0.0000328900000000, -0.0002333100000000 ] - [ -0.0038264300000000, 0.0021958500000000, -0.0003312800000000 ] - [ -0.0000932000000000, -0.0001623300000000, -0.0003790500000000 ] - [ 0.0139095800000000, 0.0008031400000000, 0.0025347800000000 ] - [ 0.0000719100000000, -0.0003020400000000, 0.0000207800000000 ] - [ 0.0004094700000000, 0.0032504600000000, -0.0001209400000000 ] - [ 0.0006553100000000, -0.0006016900000000, -0.0004752600000000 ] - [ 0.0164107700000000, 0.0024454700000000, -0.0030807300000000 ] - [ -0.0000157900000000, 0.0000264700000000, 0.0000218300000000 ] - [ 0.0004153500000000, -0.0059324000000000, 0.0009518800000000 ] - [ -0.0001532500000000, 0.0006826900000000, -0.0002736900000000 ] - [ 0.0137001700000000, 0.0008720800000000, -0.0024657900000000 ] - [ 0.0000891400000000, -0.0001115300000000, -0.0000112400000000 ] - [ 0.0005988200000000, -0.0007385100000000, 0.0004688500000000 ] - [ 0.0003883300000000, 0.0032455800000000, 0.0001621000000000 ] - [ -0.0094077900000000, -0.0024689100000000, 0.0009937200000000 ] - [ -0.0006510500000000, -0.0000107200000000, 0.0000124200000000 ] - [ 0.0047583500000000, 0.0000980300000000, -0.0001162700000000 ] - [ 0.0002598800000000, 0.0000113200000000, -0.0000812800000000 ] - [ -0.0090147700000000, -0.0026746000000000, -0.0010870800000000 ] - [ -0.0003600700000000, -0.0000033400000000, 0.0000441500000000 ] - [ 0.0050295100000000, 0.0003075200000000, -0.0002121500000000 ] - [ 0.0005360800000000, 0.0000028900000000, 0.0000214600000000 ] - [ -0.0048163500000000, 0.0026132500000000, 0.0009673200000000 ] - [ -0.0000884100000000, -0.0001393300000000, 0.0000620600000000 ] - [ -0.0004394100000000, -0.0005606500000000, 0.0002078600000000 ] - [ -0.0013666700000000, 0.0004886100000000, 0.0000257000000000 ] - [ -0.0018589200000000, -0.0019283200000000, 0.0043992800000000 ] - [ 0.0000136100000000, -0.0000278800000000, 0.0000214600000000 ] - [ 0.0001502100000000, -0.0003599500000000, 0.0011270100000000 ] - [ -0.0001262000000000, 0.0004060300000000, 0.0002671500000000 ] - [ -0.0047248400000000, 0.0021368400000000, -0.0009829200000000 ] - [ -0.0000715000000000, -0.0003390900000000, -0.0000724100000000 ] - [ -0.0014887900000000, 0.0006671000000000, -0.0001668100000000 ] - [ -0.0004982000000000, -0.0004741900000000, -0.0001572600000000 ] - [ -0.0006440800000000, 0.0018766900000000, 0.0048549400000000 ] - [ 0.0000135000000000, -0.0000591400000000, 0.0004519100000000 ] - [ -0.0004995200000000, 0.0002615700000000, 0.0028535100000000 ] - [ -0.0000461000000000, -0.0000611500000000, 0.0002866100000000 ] - [ -0.0001380000000000, 0.0004234200000000, -0.0003608900000000 ] - [ 0.0001530200000000, -0.0003508600000000, -0.0010155800000000 ] - [ -0.0016001300000000, -0.0020356900000000, -0.0041099100000000 ] - [ 0.0000493000000000, -0.0000746400000000, -0.0001422500000000 ] - [ 0.0023674000000000, -0.0012066900000000, 0.0006691000000000 ] - [ 0.0000987600000000, -0.0000237000000000, 0.0000245300000000 ] - [ 0.0001129200000000, 0.0000322600000000, 0.0002144200000000 ] - [ 0.0003431500000000, -0.0000198900000000, 0.0003221500000000 ] - [ 0.0019388400000000, -0.0011906600000000, -0.0001643400000000 ] - [ -0.0001279000000000, -0.0000568800000000, -0.0000062300000000 ] - [ 0.0002940800000000, -0.0000558900000000, -0.0005105100000000 ] - [ -0.0000170700000000, 0.0001198300000000, -0.0001483300000000 ] - [ -0.0017609200000000, 0.0019982200000000, -0.0042528600000000 ] - [ -0.0001614900000000, -0.0000900200000000, -0.0000874700000000 ] - [ 0.0001586900000000, 0.0000204800000000, -0.0001410900000000 ] - [ -0.0002563500000000, 0.0003074400000000, -0.0020680000000000 ]- atom: 1 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.1061597100000000, -0.0048355200000000, -0.0109321700000000 ] - [ 0.0001185300000000, -0.0000268700000000, 0.0000639600000000 ] - [ 0.0021912000000000, -0.0001317000000000, 0.0000872700000000 ] - [ 0.0021339900000000, -0.0000676600000000, -0.0000187200000000 ] - [ -0.0031012700000000, 0.0001085700000000, -0.0000290000000000 ] - [ -0.0000698500000000, -0.0000292100000000, -0.0000705300000000 ] - [ -0.0006050000000000, -0.0000517700000000, -0.0000191600000000 ] - [ -0.0005942200000000, -0.0000451400000000, -0.0000675700000000 ] - [ -0.0028540000000000, 0.0068656200000000, 0.0049136100000000 ] - [ -0.0001046500000000, -0.0002539500000000, 0.0001644800000000 ] - [ 0.0010056900000000, 0.0005890300000000, 0.0003091000000000 ] - [ 0.0008786800000000, 0.0008124700000000, -0.0003350100000000 ] - [ -0.0000871300000000, -0.0002994900000000, -0.0001950600000000 ] - [ -0.0036444100000000, 0.0066144900000000, -0.0039764500000000 ] - [ -0.0227138500000000, 0.0025595700000000, 0.0216147500000000 ] - [ -0.0000047600000000, -0.0002234700000000, 0.0000360500000000 ] - [ -0.0003990700000000, -0.0021270500000000, 0.0020257500000000 ] - [ -0.0009306600000000, 0.0010296100000000, 0.0001491600000000 ] - [ -0.0220040800000000, 0.0025950800000000, -0.0209265400000000 ] - [ 0.0000005800000000, 0.0000050600000000, -0.0000420600000000 ] - [ -0.0008908700000000, 0.0012066700000000, -0.0002026900000000 ] - [ -0.0003422800000000, -0.0020428300000000, -0.0019970200000000 ] - [ 0.0000876200000000, 0.0000148500000000, 0.0001470200000000 ] - [ 0.0005219200000000, -0.0001601400000000, 0.0038258800000000 ] - [ 0.0005034700000000, 0.0000666900000000, -0.0047972100000000 ] - [ 0.0001477800000000, 0.0000209400000000, -0.0001290200000000 ] - [ -0.0012656300000000, 0.0000875400000000, 0.0004358100000000 ] - [ -0.0000538700000000, -0.0000342200000000, -0.0000182900000000 ] - [ -0.0002680700000000, 0.0003845000000000, 0.0003279000000000 ] - [ -0.0109664200000000, -0.0171561600000000, 0.0066799500000000 ] - [ -0.0108825800000000, -0.0178120100000000, -0.0066169800000000 ] - [ -0.0002821000000000, 0.0003507700000000, 0.0002261800000000 ] - [ 0.0050474300000000, 0.0093594900000000, -0.0066834400000000 ] - [ 0.0000265400000000, -0.0002103400000000, -0.0001473500000000 ] - [ -0.0004750900000000, -0.0004422600000000, -0.0002122500000000 ] - [ -0.0081553000000000, 0.0030428600000000, -0.0007766000000000 ] - [ 0.0003781300000000, -0.0003059700000000, 0.0003390000000000 ] - [ 0.0061220500000000, 0.0090984600000000, 0.0069311700000000 ] - [ -0.0085415200000000, 0.0028954200000000, 0.0003084400000000 ] - [ -0.0001529000000000, -0.0003513400000000, 0.0000345500000000 ] - [ 0.0021894700000000, -0.0027458500000000, 0.0038192300000000 ] - [ 0.0001252300000000, 0.0002109600000000, -0.0001089900000000 ] - [ 0.0001263500000000, 0.0002386900000000, -0.0004387500000000 ] - [ 0.0019364300000000, -0.0024784800000000, -0.0038101100000000 ] - [ 0.0175123100000000, -0.0097052400000000, 0.0002307900000000 ] - [ 0.0000760700000000, -0.0001001600000000, -0.0000039900000000 ] - [ -0.0000603600000000, -0.0000335100000000, -0.0001347100000000 ] - [ 0.0022316700000000, 0.0024363300000000, -0.0052651600000000 ] - [ 0.0041274800000000, -0.0026586100000000, 0.0003891700000000 ] - [ 0.0001761300000000, 0.0001917000000000, -0.0000927100000000 ] - [ -0.0012257200000000, -0.0019055100000000, -0.0004023000000000 ] - [ -0.0005602800000000, 0.0001056900000000, -0.0004129700000000 ] - [ -0.0148805300000000, 0.0077678300000000, 0.0069091200000000 ] - [ 0.0000538700000000, 0.0000716100000000, -0.0000553800000000 ] - [ -0.0109727300000000, 0.0025500400000000, 0.0028013500000000 ] - [ -0.0001731700000000, 0.0001251700000000, 0.0000207800000000 ] - [ -0.0006120400000000, 0.0001121500000000, 0.0003053300000000 ] - [ -0.0011345700000000, -0.0021293500000000, 0.0001980300000000 ] - [ -0.0083196700000000, 0.0018459100000000, -0.0020779800000000 ] - [ -0.0000325500000000, -0.0001516800000000, 0.0000926500000000 ] - [ 0.0000793200000000, -0.0004928500000000, -0.0001104500000000 ] - [ -0.0002840100000000, 0.0059916500000000, 0.0011266000000000 ] - [ 0.0006067000000000, 0.0029664800000000, 0.0059805600000000 ] - [ 0.0000815500000000, -0.0001279500000000, 0.0000153300000000 ] - [ 0.0037982800000000, -0.0021512900000000, -0.0002982900000000 ] - [ 0.0000682100000000, 0.0001906000000000, -0.0002488800000000 ] - [ -0.0140476900000000, -0.0009840700000000, -0.0027945000000000 ] - [ -0.0000255200000000, -0.0000669800000000, 0.0000400700000000 ] - [ -0.0003701100000000, -0.0031147800000000, 0.0001132000000000 ] - [ -0.0006154600000000, 0.0007302600000000, 0.0004676000000000 ] - [ -0.0150066400000000, -0.0016867500000000, 0.0029586700000000 ] - [ -0.0000045600000000, -0.0000944100000000, 0.0000236600000000 ] - [ -0.0004666500000000, 0.0061014800000000, -0.0010843000000000 ] - [ 0.0001019500000000, -0.0004923300000000, 0.0001373700000000 ] - [ -0.0134361800000000, -0.0010335600000000, 0.0021158800000000 ] - [ -0.0000078800000000, 0.0001360100000000, -0.0000387600000000 ] - [ -0.0006775400000000, 0.0006719700000000, -0.0005546900000000 ] - [ -0.0004671600000000, -0.0033198900000000, -0.0002473000000000 ] - [ 0.0088148900000000, 0.0024488400000000, -0.0011069400000000 ] - [ 0.0000421800000000, -0.0000144600000000, -0.0001292700000000 ] - [ -0.0047237600000000, -0.0001296900000000, -0.0000847000000000 ] - [ -0.0002143000000000, -0.0000430600000000, -0.0001221800000000 ] - [ 0.0089636200000000, 0.0026393400000000, 0.0012929600000000 ] - [ 0.0003156200000000, -0.0000286000000000, 0.0001606000000000 ] - [ -0.0044097300000000, -0.0003322300000000, 0.0003327500000000 ] - [ 0.0000751900000000, -0.0000276900000000, 0.0000965400000000 ] - [ 0.0047364300000000, -0.0025804900000000, -0.0009038700000000 ] - [ 0.0000090700000000, 0.0001629100000000, -0.0000096300000000 ] - [ 0.0005228400000000, 0.0004939900000000, -0.0001196400000000 ] - [ 0.0014521100000000, -0.0005487600000000, 0.0000646700000000 ] - [ 0.0018820500000000, 0.0018576700000000, -0.0044294300000000 ] - [ 0.0000101700000000, -0.0000391800000000, -0.0000676400000000 ] - [ -0.0000948300000000, 0.0005524300000000, -0.0009836500000000 ] - [ 0.0001804900000000, -0.0002140700000000, -0.0001277400000000 ] - [ 0.0046817900000000, -0.0025146700000000, 0.0009368900000000 ] - [ 0.0000265300000000, -0.0000293000000000, 0.0000141400000000 ] - [ 0.0014484600000000, -0.0005452000000000, 0.0001813800000000 ] - [ 0.0004599400000000, 0.0006031600000000, 0.0001687500000000 ] - [ 0.0006702400000000, -0.0018570500000000, -0.0042517500000000 ] - [ 0.0000139900000000, 0.0000872900000000, 0.0001779000000000 ] - [ 0.0003768500000000, -0.0003497200000000, -0.0026228600000000 ] - [ -0.0000677400000000, -0.0000334200000000, -0.0000677800000000 ] - [ 0.0001876100000000, -0.0002281100000000, 0.0001190200000000 ] - [ -0.0001045000000000, 0.0005452700000000, 0.0007776400000000 ] - [ 0.0016817500000000, 0.0018646300000000, 0.0039302200000000 ] - [ 0.0000322000000000, -0.0000982600000000, -0.0000541100000000 ] - [ -0.0021682300000000, 0.0012113600000000, -0.0006405800000000 ] - [ 0.0001073700000000, 0.0000409600000000, -0.0000089200000000 ] - [ 0.0000360600000000, -0.0000747800000000, -0.0002131100000000 ] - [ -0.0001946700000000, -0.0000271700000000, -0.0003224100000000 ] - [ -0.0021787000000000, 0.0011417300000000, 0.0002230900000000 ] - [ -0.0001215200000000, -0.0000006800000000, 0.0000496900000000 ] - [ -0.0003166000000000, 0.0001429200000000, 0.0006653100000000 ] - [ -0.0000070200000000, -0.0000368100000000, 0.0003051700000000 ] - [ 0.0014800700000000, -0.0019980000000000, 0.0043199500000000 ] - [ -0.0001127000000000, 0.0000783400000000, 0.0001754800000000 ] - [ 0.0001181000000000, 0.0000501400000000, 0.0001758400000000 ] - [ 0.0005449500000000, -0.0002414600000000, 0.0021061300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046727700000000, -0.0686353100000000, -0.0103740100000000 ] - [ 0.0000409700000000, 0.0017274000000000, 0.0000515300000000 ] - [ -0.0000505000000000, 0.0034435300000000, -0.0000108900000000 ] - [ -0.0000226800000000, 0.0034358900000000, -0.0000053600000000 ] - [ 0.0001021400000000, -0.0037576800000000, -0.0000681300000000 ] - [ -0.0000352000000000, 0.0016197100000000, -0.0000573900000000 ] - [ 0.0000189000000000, 0.0008884600000000, 0.0000047700000000 ] - [ 0.0000217500000000, 0.0009077900000000, -0.0000025600000000 ] - [ -0.0059755600000000, 0.0040298800000000, 0.0051825100000000 ] - [ -0.0000820600000000, 0.0023448900000000, -0.0001476800000000 ] - [ 0.0007278500000000, 0.0024834300000000, 0.0014624100000000 ] - [ 0.0008809000000000, 0.0025180400000000, -0.0013620400000000 ] - [ -0.0000110500000000, 0.0022409200000000, 0.0000928700000000 ] - [ -0.0053957400000000, 0.0036527600000000, -0.0040496300000000 ] - [ -0.0030185600000000, -0.0200653500000000, -0.0057275600000000 ] - [ 0.0000107600000000, 0.0024562800000000, 0.0000203200000000 ] - [ 0.0008423800000000, 0.0025260200000000, -0.0014124400000000 ] - [ -0.0015492500000000, 0.0025624200000000, 0.0000675200000000 ] - [ -0.0029924900000000, -0.0189652100000000, 0.0056803500000000 ] - [ 0.0000100400000000, 0.0027365900000000, -0.0000172800000000 ] - [ -0.0014852800000000, 0.0025078400000000, -0.0000779300000000 ] - [ 0.0008115600000000, 0.0026235600000000, 0.0013591500000000 ] - [ 0.0001317500000000, 0.0020572400000000, 0.0000424100000000 ] - [ -0.0019445200000000, -0.0019152700000000, -0.0009186800000000 ] - [ -0.0018607400000000, -0.0020460700000000, 0.0015712400000000 ] - [ 0.0002133000000000, 0.0021547000000000, -0.0000217100000000 ] - [ 0.0002603600000000, -0.0003046100000000, 0.0000039500000000 ] - [ -0.0000061300000000, 0.0001713200000000, 0.0000061500000000 ] - [ -0.0001490900000000, 0.0026937900000000, 0.0002621600000000 ] - [ 0.0081014200000000, 0.0072853200000000, -0.0028195700000000 ] - [ 0.0088260600000000, 0.0075784800000000, 0.0034961800000000 ] - [ -0.0001670300000000, 0.0027923100000000, 0.0002991000000000 ] - [ -0.0015666900000000, 0.0074620000000000, -0.0090430300000000 ] - [ -0.0001883900000000, 0.0029786200000000, 0.0002577500000000 ] - [ -0.0000588200000000, 0.0024948400000000, -0.0001713700000000 ] - [ 0.0002520200000000, -0.0019926400000000, 0.0025295600000000 ] - [ 0.0001180300000000, 0.0027681300000000, -0.0000669900000000 ] - [ -0.0008000000000000, 0.0081565900000000, 0.0096346400000000 ] - [ 0.0003464900000000, -0.0020896200000000, -0.0031567100000000 ] - [ 0.0002540200000000, 0.0026943400000000, -0.0000114400000000 ] - [ 0.0033946000000000, -0.0022674500000000, -0.0002698400000000 ] - [ -0.0001082000000000, 0.0025305500000000, -0.0003100700000000 ] - [ -0.0001286800000000, 0.0024490500000000, -0.0002459400000000 ] - [ 0.0037690200000000, -0.0022164000000000, 0.0000444300000000 ] - [ 0.0107852400000000, -0.0244762900000000, 0.0005515500000000 ] - [ -0.0000373900000000, 0.0027175100000000, 0.0000006200000000 ] - [ -0.0000907400000000, -0.0007056100000000, -0.0000861000000000 ] - [ -0.0009901200000000, -0.0002668800000000, 0.0019947600000000 ] - [ 0.0026102800000000, 0.0001857000000000, 0.0007653000000000 ] - [ 0.0000690200000000, -0.0010334300000000, -0.0000752900000000 ] - [ 0.0002461700000000, -0.0028367500000000, -0.0019025200000000 ] - [ -0.0006062800000000, -0.0018189800000000, 0.0001918400000000 ] - [ -0.0082679100000000, 0.0196009700000000, 0.0065488100000000 ] - [ 0.0006153600000000, -0.0016859000000000, 0.0001413700000000 ] - [ -0.0034636000000000, 0.0139450000000000, 0.0041826700000000 ] - [ 0.0004482200000000, -0.0016742400000000, -0.0001501900000000 ] - [ -0.0007202300000000, -0.0018708500000000, -0.0002926400000000 ] - [ 0.0001131800000000, -0.0027625700000000, 0.0017520600000000 ] - [ -0.0003546900000000, 0.0121616600000000, -0.0024580300000000 ] - [ -0.0003263400000000, -0.0018377200000000, 0.0005478700000000 ] - [ 0.0005833600000000, -0.0018213700000000, -0.0003204900000000 ] - [ -0.0012789100000000, -0.0027897700000000, -0.0006298500000000 ] - [ -0.0008276100000000, -0.0004787000000000, -0.0030482800000000 ] - [ 0.0000939900000000, -0.0010490900000000, -0.0000249900000000 ] - [ 0.0018118200000000, 0.0002333100000000, -0.0009130800000000 ] - [ -0.0000724800000000, -0.0008588800000000, -0.0002699400000000 ] - [ -0.0010399400000000, 0.0161430000000000, -0.0058978900000000 ] - [ -0.0002227300000000, -0.0020042100000000, 0.0004930000000000 ] - [ 0.0012392000000000, -0.0027709000000000, 0.0007326600000000 ] - [ 0.0001389300000000, -0.0019938700000000, -0.0007646200000000 ] - [ 0.0045428600000000, 0.0153970700000000, 0.0021320200000000 ] - [ -0.0002998500000000, -0.0018149700000000, -0.0004258600000000 ] - [ -0.0012645000000000, -0.0028400900000000, 0.0006728900000000 ] - [ 0.0005896400000000, -0.0019020400000000, 0.0004235500000000 ] - [ -0.0009933600000000, 0.0162384000000000, 0.0054698400000000 ] - [ -0.0002151400000000, -0.0018000100000000, -0.0004791700000000 ] - [ 0.0001016000000000, -0.0020626800000000, 0.0007115600000000 ] - [ 0.0011513700000000, -0.0031417000000000, -0.0007265300000000 ] - [ -0.0035521500000000, -0.0007493800000000, 0.0007421800000000 ] - [ -0.0002031800000000, -0.0009239000000000, -0.0000789000000000 ] - [ -0.0030970100000000, -0.0005656900000000, -0.0026807900000000 ] - [ 0.0001024500000000, -0.0009613900000000, -0.0000523200000000 ] - [ -0.0033193100000000, -0.0009179500000000, -0.0008567600000000 ] - [ 0.0000626300000000, -0.0009051900000000, 0.0001426000000000 ] - [ -0.0024380900000000, -0.0004325300000000, 0.0023711700000000 ] - [ 0.0003735500000000, -0.0009758700000000, -0.0000061300000000 ] - [ 0.0010525600000000, 0.0041936600000000, -0.0006053400000000 ] - [ 0.0001964000000000, -0.0017054200000000, 0.0004881900000000 ] - [ -0.0003807400000000, -0.0016325400000000, -0.0001649500000000 ] - [ 0.0002873000000000, -0.0003601200000000, -0.0005353800000000 ] - [ -0.0009778600000000, 0.0041152800000000, 0.0004719700000000 ] - [ 0.0003202300000000, -0.0017250200000000, 0.0004059500000000 ] - [ -0.0007663300000000, -0.0001129300000000, 0.0002843800000000 ] - [ 0.0000022500000000, -0.0014915200000000, -0.0004268200000000 ] - [ 0.0007934300000000, 0.0040463900000000, 0.0007177400000000 ] - [ 0.0002031200000000, -0.0019150200000000, -0.0005038600000000 ] - [ 0.0002293900000000, -0.0002740100000000, 0.0006302300000000 ] - [ -0.0004264100000000, -0.0015675700000000, 0.0002455200000000 ] - [ 0.0014931300000000, -0.0007286700000000, -0.0025910700000000 ] - [ -0.0000418000000000, -0.0008312100000000, 0.0003796300000000 ] - [ 0.0002623500000000, 0.0001113200000000, -0.0012034300000000 ] - [ -0.0000796000000000, -0.0009807800000000, 0.0001487000000000 ] - [ -0.0000048200000000, -0.0014558500000000, 0.0003528000000000 ] - [ -0.0008652600000000, -0.0001226600000000, -0.0003662700000000 ] - [ -0.0008788000000000, 0.0039806400000000, -0.0002554400000000 ] - [ 0.0003525200000000, -0.0017547700000000, -0.0005312300000000 ] - [ -0.0003412300000000, 0.0052104000000000, -0.0001300100000000 ] - [ -0.0004302600000000, -0.0015919300000000, 0.0001352200000000 ] - [ 0.0003939500000000, -0.0014712000000000, -0.0003622000000000 ] - [ 0.0002596300000000, -0.0001774000000000, 0.0005681700000000 ] - [ -0.0007562400000000, 0.0050766000000000, -0.0003445400000000 ] - [ -0.0006058200000000, -0.0016171400000000, -0.0001212700000000 ] - [ 0.0002834900000000, -0.0002255300000000, -0.0005676600000000 ] - [ 0.0002579400000000, -0.0014132900000000, 0.0004249100000000 ] - [ 0.0016493100000000, -0.0006698800000000, 0.0026499600000000 ] - [ -0.0001974200000000, -0.0010013500000000, -0.0000332800000000 ] - [ 0.0001160600000000, -0.0006683800000000, -0.0000077600000000 ] - [ 0.0003917500000000, 0.0001496100000000, 0.0006984500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047871700000000, 0.0686057000000000, 0.0107356000000000 ] - [ -0.0000650200000000, -0.0016674500000000, 0.0000630700000000 ] - [ 0.0000258600000000, -0.0034605600000000, 0.0000326600000000 ] - [ -0.0000018300000000, -0.0035001000000000, 0.0000321500000000 ] - [ -0.0000677500000000, 0.0038086300000000, -0.0000622700000000 ] - [ 0.0000681200000000, -0.0015694000000000, -0.0000698300000000 ] - [ -0.0000013300000000, -0.0009452100000000, -0.0000147700000000 ] - [ -0.0000067000000000, -0.0009545000000000, -0.0000120300000000 ] - [ 0.0055757100000000, -0.0040292000000000, -0.0051921700000000 ] - [ -0.0002831400000000, -0.0023082800000000, 0.0000739700000000 ] - [ -0.0007181800000000, -0.0021544200000000, -0.0014465700000000 ] - [ -0.0008910000000000, -0.0021943400000000, 0.0013758900000000 ] - [ -0.0001646900000000, -0.0022246900000000, -0.0001079700000000 ] - [ 0.0052482400000000, -0.0036024000000000, 0.0040861600000000 ] - [ 0.0029120200000000, 0.0197965800000000, 0.0057958200000000 ] - [ -0.0000105300000000, -0.0027239300000000, -0.0000194600000000 ] - [ -0.0008355600000000, -0.0028404700000000, 0.0014028500000000 ] - [ 0.0015600000000000, -0.0028765200000000, -0.0000690100000000 ] - [ 0.0030919700000000, 0.0191751900000000, -0.0056212900000000 ] - [ -0.0000095000000000, -0.0025347600000000, 0.0000171000000000 ] - [ 0.0014750700000000, -0.0027425400000000, 0.0000761000000000 ] - [ -0.0008177100000000, -0.0028577200000000, -0.0013678600000000 ] - [ 0.0000461500000000, -0.0020423900000000, -0.0000239400000000 ] - [ 0.0021204700000000, 0.0019449100000000, 0.0009449700000000 ] - [ 0.0022262300000000, 0.0020682700000000, -0.0014837200000000 ] - [ 0.0001521200000000, -0.0021169300000000, 0.0000985100000000 ] - [ -0.0002603500000000, 0.0002563700000000, -0.0000004300000000 ] - [ 0.0000054500000000, -0.0002228000000000, -0.0000044300000000 ] - [ 0.0001992200000000, -0.0026828900000000, 0.0001495200000000 ] - [ -0.0081176100000000, -0.0072369500000000, 0.0032224900000000 ] - [ -0.0087025200000000, -0.0076277700000000, -0.0027971000000000 ] - [ 0.0002134000000000, -0.0028007800000000, 0.0004138300000000 ] - [ 0.0010608600000000, -0.0072467100000000, 0.0091358400000000 ] - [ -0.0002663800000000, -0.0027223200000000, -0.0001018800000000 ] - [ -0.0001293100000000, -0.0024576500000000, -0.0000164000000000 ] - [ -0.0004296400000000, 0.0020455500000000, -0.0027225600000000 ] - [ 0.0000721700000000, -0.0027287900000000, 0.0002538700000000 ] - [ 0.0010464300000000, -0.0080827800000000, -0.0095168500000000 ] - [ 0.0000961500000000, 0.0023332500000000, 0.0029926300000000 ] - [ 0.0002009500000000, -0.0024352700000000, -0.0001456500000000 ] - [ -0.0034282600000000, 0.0022443000000000, -0.0004503100000000 ] - [ 0.0000642900000000, -0.0025360500000000, -0.0004025300000000 ] - [ 0.0000763700000000, -0.0024407400000000, -0.0001655500000000 ] - [ -0.0038344900000000, 0.0022424500000000, -0.0004625000000000 ] - [ -0.0107938100000000, 0.0245538300000000, -0.0007288100000000 ] - [ 0.0000375900000000, -0.0026506800000000, 0.0000001500000000 ] - [ -0.0001902700000000, 0.0007769500000000, 0.0000588800000000 ] - [ 0.0007191300000000, 0.0003290700000000, -0.0020235700000000 ] - [ -0.0023197300000000, -0.0001864600000000, -0.0008404000000000 ] - [ 0.0002074000000000, 0.0010244400000000, 0.0000020100000000 ] - [ -0.0002140600000000, 0.0029049000000000, 0.0017168600000000 ] - [ 0.0006321200000000, 0.0019009300000000, -0.0003534900000000 ] - [ 0.0083074300000000, -0.0195205300000000, -0.0061967500000000 ] - [ -0.0003648200000000, 0.0016319600000000, -0.0001840800000000 ] - [ 0.0033916600000000, -0.0140871700000000, -0.0039945300000000 ] - [ -0.0006548400000000, 0.0016916600000000, 0.0001349000000000 ] - [ 0.0005723500000000, 0.0018214500000000, 0.0002859700000000 ] - [ -0.0002672000000000, 0.0027229600000000, -0.0017833700000000 ] - [ -0.0000482500000000, -0.0125414600000000, 0.0026595600000000 ] - [ 0.0002456300000000, 0.0016647700000000, -0.0003491200000000 ] - [ -0.0006288900000000, 0.0020151100000000, 0.0005647800000000 ] - [ 0.0012542400000000, 0.0029793600000000, 0.0008763000000000 ] - [ 0.0009407500000000, 0.0003968900000000, 0.0028355900000000 ] - [ 0.0000292500000000, 0.0009571300000000, -0.0001844000000000 ] - [ -0.0018495400000000, -0.0002108300000000, 0.0002883200000000 ] - [ 0.0000471100000000, 0.0008883500000000, -0.0003591300000000 ] - [ 0.0008589100000000, -0.0162920800000000, 0.0055781400000000 ] - [ 0.0002691800000000, 0.0016353700000000, -0.0004314500000000 ] - [ -0.0011837500000000, 0.0029039800000000, -0.0007225400000000 ] - [ -0.0000952800000000, 0.0021231900000000, 0.0007587200000000 ] - [ -0.0041333000000000, -0.0152383500000000, -0.0021026600000000 ] - [ 0.0002770400000000, 0.0017479700000000, 0.0004723700000000 ] - [ 0.0011866800000000, 0.0030360500000000, -0.0008053300000000 ] - [ -0.0006466000000000, 0.0020961500000000, -0.0005581100000000 ] - [ 0.0013325700000000, -0.0164756000000000, -0.0059383900000000 ] - [ 0.0002944600000000, 0.0018243000000000, 0.0004301800000000 ] - [ -0.0001839500000000, 0.0019981300000000, -0.0007967800000000 ] - [ -0.0012475600000000, 0.0030716900000000, 0.0006586900000000 ] - [ 0.0029625400000000, 0.0007438800000000, -0.0008545400000000 ] - [ -0.0004076400000000, 0.0008994000000000, -0.0000352700000000 ] - [ 0.0031450400000000, 0.0005267500000000, 0.0024922600000000 ] - [ -0.0000576400000000, 0.0009300300000000, -0.0001511800000000 ] - [ 0.0032553500000000, 0.0008688400000000, 0.0010610300000000 ] - [ -0.0001058600000000, 0.0008741500000000, 0.0000629500000000 ] - [ 0.0030480000000000, 0.0004178800000000, -0.0022440600000000 ] - [ 0.0002363300000000, 0.0009522300000000, 0.0001219000000000 ] - [ -0.0011242100000000, -0.0041748700000000, 0.0006575800000000 ] - [ -0.0002757200000000, 0.0017295600000000, -0.0004370200000000 ] - [ 0.0004630800000000, 0.0015707700000000, 0.0002539300000000 ] - [ -0.0002085400000000, 0.0002865000000000, 0.0006194100000000 ] - [ 0.0010023000000000, -0.0041743500000000, -0.0005245200000000 ] - [ -0.0002960000000000, 0.0016580200000000, -0.0004529800000000 ] - [ 0.0008193700000000, 0.0003135000000000, -0.0001405500000000 ] - [ 0.0000501200000000, 0.0016829500000000, 0.0005645300000000 ] - [ -0.0008460300000000, -0.0044086400000000, -0.0007741200000000 ] - [ -0.0002493800000000, 0.0015460100000000, 0.0004443600000000 ] - [ -0.0002650300000000, 0.0004112800000000, -0.0006235400000000 ] - [ 0.0003864000000000, 0.0016945300000000, -0.0002355900000000 ] - [ -0.0014670600000000, 0.0007408200000000, 0.0032004700000000 ] - [ 0.0000674000000000, 0.0008603200000000, 0.0002516500000000 ] - [ -0.0003927900000000, -0.0001876800000000, 0.0014221600000000 ] - [ -0.0000431200000000, 0.0008882200000000, 0.0000605500000000 ] - [ 0.0000562200000000, 0.0016529900000000, -0.0005953800000000 ] - [ 0.0009150300000000, 0.0003094900000000, 0.0001266600000000 ] - [ 0.0009601100000000, -0.0041608600000000, 0.0000544300000000 ] - [ -0.0002716800000000, 0.0015818600000000, 0.0003350100000000 ] - [ 0.0005372700000000, -0.0052043900000000, 0.0001573000000000 ] - [ 0.0006361400000000, 0.0016092500000000, -0.0001200400000000 ] - [ -0.0002484900000000, 0.0014249900000000, 0.0003639100000000 ] - [ -0.0001083100000000, 0.0001215000000000, -0.0005673300000000 ] - [ 0.0005190600000000, -0.0051212000000000, 0.0004014500000000 ] - [ 0.0003552500000000, 0.0015612800000000, 0.0001644600000000 ] - [ -0.0003111000000000, 0.0003133500000000, 0.0007221800000000 ] - [ -0.0002792600000000, 0.0014920900000000, -0.0002676000000000 ] - [ -0.0019283200000000, 0.0006805200000000, -0.0025923100000000 ] - [ -0.0000771000000000, 0.0009915500000000, 0.0001090400000000 ] - [ 0.0001653900000000, 0.0007397300000000, 0.0000362000000000 ] - [ -0.0001073500000000, -0.0000895400000000, -0.0006618600000000 ]- atom: 1 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0624317700000000, -0.0116763200000000, -0.1171452400000000 ] - [ 0.0000446800000000, -0.0000058900000000, -0.0000613000000000 ] - [ 0.0010575300000000, -0.0001236500000000, -0.0018352700000000 ] - [ 0.0010191600000000, 0.0000177900000000, -0.0019554100000000 ] - [ -0.0015632700000000, 0.0000674000000000, 0.0041811900000000 ] - [ -0.0000186700000000, -0.0000111400000000, 0.0000139200000000 ] - [ -0.0003347400000000, 0.0000112500000000, 0.0006136300000000 ] - [ -0.0001847300000000, -0.0000774500000000, 0.0006647500000000 ] - [ -0.0100320700000000, 0.0139860600000000, 0.0029086000000000 ] - [ -0.0003830900000000, -0.0003913100000000, 0.0000636800000000 ] - [ 0.0011011400000000, 0.0018831200000000, 0.0010348700000000 ] - [ -0.0002468600000000, -0.0011211200000000, 0.0006658100000000 ] - [ 0.0001621100000000, 0.0001078500000000, -0.0000812800000000 ] - [ 0.0066959600000000, -0.0068455500000000, -0.0019679300000000 ] - [ -0.0299094800000000, -0.0032734700000000, 0.0123161900000000 ] - [ -0.0000455300000000, -0.0002005300000000, -0.0000145000000000 ] - [ -0.0006759500000000, -0.0015506800000000, 0.0007340300000000 ] - [ -0.0018989500000000, 0.0017940000000000, -0.0003917900000000 ] - [ 0.0071107100000000, 0.0059771200000000, -0.0093236000000000 ] - [ 0.0000455600000000, 0.0000437500000000, -0.0000569400000000 ] - [ 0.0010409500000000, -0.0007621400000000, -0.0006741300000000 ] - [ 0.0003054700000000, -0.0006041500000000, -0.0012757900000000 ] - [ -0.0001739000000000, 0.0002763800000000, 0.0001748300000000 ] - [ -0.0046365600000000, -0.0034446800000000, 0.0044116700000000 ] - [ 0.0051243300000000, 0.0033252700000000, 0.0008512800000000 ] - [ 0.0004086700000000, -0.0002675100000000, 0.0000874900000000 ] - [ -0.0000787200000000, 0.0000476800000000, 0.0009411500000000 ] - [ -0.0000352000000000, -0.0000273500000000, 0.0000267600000000 ] - [ -0.0001104900000000, 0.0001721800000000, 0.0000634000000000 ] - [ -0.0063225900000000, -0.0083335800000000, 0.0009736300000000 ] - [ -0.0041898000000000, -0.0093658800000000, -0.0071043700000000 ] - [ -0.0001243800000000, 0.0001944700000000, -0.0000007800000000 ] - [ 0.0023789700000000, -0.0083907500000000, 0.0063868300000000 ] - [ -0.0000138300000000, 0.0003321600000000, 0.0001784700000000 ] - [ -0.0002712400000000, -0.0003078000000000, -0.0002906300000000 ] - [ -0.0043515000000000, 0.0028668900000000, -0.0036140700000000 ] - [ 0.0001321800000000, -0.0005108500000000, 0.0004043200000000 ] - [ 0.0034282900000000, 0.0176344000000000, 0.0133921700000000 ] - [ -0.0042148100000000, 0.0002639600000000, -0.0028099000000000 ] - [ 0.0000404700000000, -0.0000041100000000, -0.0001759200000000 ] - [ -0.0031745400000000, -0.0023400300000000, 0.0068546400000000 ] - [ -0.0000674300000000, 0.0002949600000000, 0.0000522600000000 ] - [ 0.0001296600000000, -0.0001083600000000, -0.0000700500000000 ] - [ 0.0045600600000000, -0.0003914300000000, 0.0028099000000000 ] - [ 0.0081719200000000, -0.0044254700000000, 0.0428553200000000 ] - [ 0.0000321200000000, -0.0000409300000000, 0.0000192500000000 ] - [ -0.0000368200000000, -0.0000536000000000, 0.0000256100000000 ] - [ 0.0022706100000000, 0.0016434200000000, -0.0019019700000000 ] - [ 0.0046237500000000, -0.0021687100000000, 0.0034353000000000 ] - [ 0.0002542900000000, 0.0001145700000000, 0.0000560400000000 ] - [ -0.0007368300000000, -0.0046109400000000, 0.0002214600000000 ] - [ 0.0002222000000000, 0.0006925000000000, -0.0000050200000000 ] - [ -0.0119164600000000, 0.0090341200000000, 0.0249745200000000 ] - [ 0.0001059100000000, 0.0000978600000000, -0.0000174700000000 ] - [ -0.0097295900000000, 0.0058321400000000, 0.0053124600000000 ] - [ -0.0001522000000000, -0.0000130100000000, 0.0000222200000000 ] - [ -0.0008033000000000, -0.0005394800000000, 0.0003280700000000 ] - [ -0.0003970800000000, 0.0027908900000000, 0.0006722100000000 ] - [ -0.0041013700000000, -0.0017733000000000, 0.0087366800000000 ] - [ -0.0000383800000000, -0.0001035800000000, 0.0001500800000000 ] - [ -0.0000208400000000, 0.0001036900000000, 0.0006818300000000 ] - [ -0.0002816500000000, 0.0027240800000000, 0.0012805800000000 ] - [ -0.0014013400000000, 0.0004493400000000, 0.0041786700000000 ] - [ 0.0000003000000000, 0.0000118000000000, 0.0000992700000000 ] - [ -0.0004895300000000, -0.0002356800000000, 0.0025192300000000 ] - [ -0.0000657400000000, 0.0000776800000000, -0.0001822900000000 ] - [ -0.0026102100000000, -0.0041564400000000, 0.0117148700000000 ] - [ -0.0000293500000000, -0.0002167100000000, 0.0000612300000000 ] - [ -0.0008664700000000, 0.0027897900000000, 0.0007609600000000 ] - [ -0.0004829400000000, -0.0000137600000000, 0.0002653600000000 ] - [ -0.0076067900000000, 0.0018092800000000, 0.0112614800000000 ] - [ 0.0000002700000000, -0.0000661100000000, 0.0000940800000000 ] - [ -0.0000384000000000, 0.0033953800000000, 0.0002773400000000 ] - [ 0.0001169400000000, -0.0005254200000000, 0.0007193700000000 ] - [ -0.0104004600000000, 0.0025246000000000, 0.0125812400000000 ] - [ 0.0000474700000000, 0.0001756300000000, 0.0000001200000000 ] - [ -0.0001570800000000, 0.0006815400000000, -0.0002486900000000 ] - [ 0.0003487100000000, -0.0061172400000000, 0.0004949600000000 ] - [ 0.0046827800000000, 0.0017583300000000, 0.0000496900000000 ] - [ -0.0001442300000000, -0.0000455100000000, -0.0000289300000000 ] - [ -0.0063837600000000, -0.0026571900000000, -0.0033877500000000 ] - [ -0.0001334600000000, 0.0001127000000000, -0.0001820200000000 ] - [ 0.0041099600000000, 0.0008636700000000, 0.0011715200000000 ] - [ 0.0001418900000000, 0.0000111600000000, 0.0001826500000000 ] - [ 0.0022209800000000, 0.0023131700000000, -0.0029808600000000 ] - [ 0.0002524600000000, -0.0001493700000000, 0.0000058700000000 ] - [ 0.0052277200000000, -0.0018668500000000, -0.0002203800000000 ] - [ -0.0000076400000000, 0.0001062800000000, 0.0000158600000000 ] - [ 0.0003374600000000, 0.0003533800000000, -0.0000145000000000 ] - [ 0.0011321100000000, -0.0005280600000000, 0.0004525000000000 ] - [ 0.0032827900000000, 0.0020147300000000, -0.0041226800000000 ] - [ 0.0000510400000000, -0.0000864700000000, -0.0000750200000000 ] - [ 0.0008029700000000, 0.0007182300000000, -0.0010338000000000 ] - [ 0.0003988800000000, -0.0003117900000000, -0.0003114400000000 ] - [ -0.0002740500000000, -0.0007264800000000, 0.0008160200000000 ] - [ -0.0000091200000000, -0.0001177900000000, 0.0000069000000000 ] - [ 0.0003781000000000, -0.0001079400000000, 0.0005715800000000 ] - [ 0.0001557200000000, 0.0001763800000000, 0.0001221200000000 ] - [ 0.0026298300000000, -0.0023567600000000, -0.0071017900000000 ] - [ 0.0001514300000000, 0.0000775200000000, 0.0000820800000000 ] - [ 0.0028766600000000, -0.0018059500000000, -0.0058112000000000 ] - [ 0.0000367900000000, -0.0000001400000000, -0.0001755500000000 ] - [ -0.0002089400000000, 0.0002114500000000, -0.0002775500000000 ] - [ -0.0009406500000000, -0.0001873500000000, -0.0001405600000000 ] - [ -0.0015178300000000, -0.0001730900000000, -0.0000438200000000 ] - [ -0.0000090800000000, -0.0000227500000000, -0.0000953900000000 ] - [ 0.0022538600000000, 0.0037618600000000, -0.0067377800000000 ] - [ 0.0001254000000000, -0.0000414400000000, -0.0000322200000000 ] - [ 0.0001919100000000, -0.0004481900000000, -0.0005064400000000 ] - [ 0.0006270400000000, 0.0010534600000000, -0.0009970500000000 ] - [ -0.0039360500000000, -0.0024117200000000, -0.0064229700000000 ] - [ -0.0001387000000000, 0.0000521700000000, -0.0000044600000000 ] - [ -0.0008116200000000, -0.0008421500000000, -0.0005188300000000 ] - [ -0.0001626300000000, 0.0004263400000000, -0.0002394300000000 ] - [ -0.0025573300000000, 0.0006700000000000, -0.0028800200000000 ] - [ -0.0002855500000000, 0.0000099900000000, -0.0000701000000000 ] - [ 0.0000451700000000, 0.0000302400000000, -0.0000704300000000 ] - [ -0.0025833000000000, 0.0011170300000000, -0.0023947500000000 ]- atom: 1 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0631012600000000, 0.0113751100000000, 0.1159410000000000 ] - [ -0.0000709600000000, 0.0000612200000000, 0.0001772900000000 ] - [ -0.0010836100000000, 0.0000631200000000, 0.0018625700000000 ] - [ -0.0010472300000000, -0.0000686900000000, 0.0019940200000000 ] - [ 0.0016057600000000, -0.0000189200000000, -0.0042967100000000 ] - [ 0.0000526800000000, 0.0000585100000000, -0.0001386300000000 ] - [ 0.0003537000000000, -0.0000643500000000, -0.0006271500000000 ] - [ 0.0002016400000000, 0.0000228700000000, -0.0006834500000000 ] - [ 0.0096497000000000, -0.0139006800000000, -0.0029524800000000 ] - [ 0.0000182700000000, 0.0004306700000000, -0.0001384900000000 ] - [ -0.0010987500000000, -0.0015532100000000, -0.0010318900000000 ] - [ 0.0002493100000000, 0.0014502100000000, -0.0006677500000000 ] - [ -0.0003382400000000, -0.0000943900000000, 0.0000653600000000 ] - [ -0.0068884500000000, 0.0068721300000000, 0.0019448400000000 ] - [ 0.0303050300000000, 0.0030078000000000, -0.0124159900000000 ] - [ 0.0000449400000000, -0.0000699600000000, 0.0000164900000000 ] - [ 0.0006749600000000, 0.0012388800000000, -0.0007265200000000 ] - [ 0.0019041900000000, -0.0021084700000000, 0.0003943300000000 ] - [ -0.0070137000000000, -0.0057724900000000, 0.0093921500000000 ] - [ -0.0000456000000000, 0.0001534300000000, 0.0000582100000000 ] - [ -0.0010365800000000, 0.0005262300000000, 0.0006734900000000 ] - [ -0.0003061300000000, 0.0003761400000000, 0.0012832400000000 ] - [ 0.0003502500000000, -0.0002623100000000, -0.0001558100000000 ] - [ 0.0048083600000000, 0.0034406400000000, -0.0043926100000000 ] - [ -0.0047471500000000, -0.0032816000000000, -0.0007709300000000 ] - [ -0.0000437800000000, 0.0003064400000000, -0.0000100300000000 ] - [ 0.0000755600000000, -0.0000976800000000, -0.0009394600000000 ] - [ 0.0000341500000000, -0.0000226700000000, -0.0000241800000000 ] - [ 0.0001628700000000, -0.0001615000000000, 0.0003505300000000 ] - [ 0.0063773800000000, 0.0083597400000000, -0.0006005900000000 ] - [ 0.0042172800000000, 0.0093309900000000, 0.0078026200000000 ] - [ 0.0001668200000000, -0.0002048800000000, 0.0007161500000000 ] - [ -0.0028979700000000, 0.0086358800000000, -0.0062009100000000 ] - [ -0.0004455100000000, -0.0000769900000000, -0.0000188900000000 ] - [ 0.0000808500000000, 0.0003461300000000, 0.0001055300000000 ] - [ 0.0041775100000000, -0.0028349000000000, 0.0034366800000000 ] - [ 0.0000578500000000, 0.0005490700000000, -0.0002157000000000 ] - [ -0.0032084800000000, -0.0176565500000000, -0.0132498600000000 ] - [ 0.0046634800000000, -0.0000126700000000, 0.0026414800000000 ] - [ 0.0004180900000000, 0.0002606600000000, 0.0000189100000000 ] - [ 0.0031391000000000, 0.0023485400000000, -0.0075769000000000 ] - [ 0.0000244600000000, -0.0003054700000000, -0.0007656500000000 ] - [ -0.0001823900000000, 0.0001184600000000, -0.0003418900000000 ] - [ -0.0046299900000000, 0.0004090200000000, -0.0032276900000000 ] - [ -0.0080309800000000, 0.0045073900000000, -0.0423478100000000 ] - [ -0.0000322500000000, 0.0001023400000000, -0.0000183500000000 ] - [ -0.0002345800000000, 0.0001263200000000, -0.0000652200000000 ] - [ -0.0025394700000000, -0.0015665500000000, 0.0018759500000000 ] - [ -0.0043300400000000, 0.0021480700000000, -0.0035113400000000 ] - [ 0.0000234300000000, -0.0001263300000000, -0.0001465700000000 ] - [ 0.0007593100000000, 0.0046831100000000, -0.0003677800000000 ] - [ -0.0001960200000000, -0.0006082300000000, -0.0001434900000000 ] - [ 0.0113506700000000, -0.0080715000000000, -0.0231669800000000 ] - [ 0.0001516600000000, -0.0001609800000000, -0.0000215200000000 ] - [ 0.0095527200000000, -0.0058638500000000, -0.0050768400000000 ] - [ -0.0000592300000000, 0.0000287600000000, -0.0000360900000000 ] - [ 0.0006502600000000, 0.0004943100000000, -0.0003208200000000 ] - [ 0.0002440900000000, -0.0028387600000000, -0.0006626900000000 ] - [ 0.0038712800000000, 0.0015048600000000, -0.0085295700000000 ] - [ -0.0000410100000000, -0.0000676700000000, 0.0000442300000000 ] - [ -0.0000276300000000, 0.0000942400000000, -0.0004408400000000 ] - [ 0.0002329500000000, -0.0025408300000000, -0.0010441200000000 ] - [ 0.0015040500000000, -0.0005452100000000, -0.0044011400000000 ] - [ 0.0001044800000000, -0.0001071200000000, -0.0003240700000000 ] - [ 0.0004606700000000, 0.0002668800000000, -0.0031461700000000 ] - [ 0.0000357200000000, -0.0000472700000000, -0.0004449900000000 ] - [ 0.0025112500000000, 0.0039271500000000, -0.0118157800000000 ] - [ 0.0000712400000000, -0.0001545400000000, -0.0000005900000000 ] - [ 0.0009039300000000, -0.0026511400000000, -0.0007730500000000 ] - [ 0.0005215500000000, 0.0001393900000000, -0.0002765300000000 ] - [ 0.0079531000000000, -0.0017020700000000, -0.0112489600000000 ] - [ -0.0000227100000000, -0.0000049700000000, -0.0000529900000000 ] - [ -0.0000143300000000, -0.0031990200000000, -0.0004209000000000 ] - [ -0.0001702900000000, 0.0007184000000000, -0.0008622800000000 ] - [ 0.0113079900000000, -0.0033732400000000, -0.0137937000000000 ] - [ 0.0000346000000000, -0.0001497700000000, -0.0000483700000000 ] - [ 0.0000794000000000, -0.0007415700000000, 0.0001603300000000 ] - [ -0.0004297000000000, 0.0060773700000000, -0.0005821800000000 ] - [ -0.0052776400000000, -0.0017771700000000, -0.0001778100000000 ] - [ -0.0004708400000000, 0.0000171200000000, -0.0001001000000000 ] - [ 0.0064531900000000, 0.0026409600000000, 0.0032037300000000 ] - [ 0.0001761900000000, -0.0001416500000000, -0.0000144900000000 ] - [ -0.0041787500000000, -0.0009042900000000, -0.0009748800000000 ] - [ -0.0001852600000000, -0.0000403000000000, 0.0000170700000000 ] - [ -0.0015914200000000, -0.0023545300000000, 0.0031161500000000 ] - [ 0.0003618100000000, 0.0001218800000000, 0.0001258500000000 ] - [ -0.0053246100000000, 0.0018970900000000, 0.0002666200000000 ] - [ -0.0000751300000000, -0.0000809600000000, 0.0000358100000000 ] - [ -0.0002584300000000, -0.0004142000000000, 0.0001026800000000 ] - [ -0.0010571000000000, 0.0004663000000000, -0.0003669200000000 ] - [ -0.0032711000000000, -0.0020970700000000, 0.0040830900000000 ] - [ -0.0000269500000000, 0.0000157400000000, 0.0000344400000000 ] - [ -0.0007533800000000, -0.0005324300000000, 0.0011761500000000 ] - [ -0.0003485400000000, 0.0005046900000000, 0.0004571900000000 ] - [ 0.0002199100000000, 0.0003589100000000, -0.0008742400000000 ] - [ -0.0000343400000000, -0.0002540200000000, -0.0000644100000000 ] - [ -0.0004142500000000, 0.0002361600000000, -0.0005584900000000 ] - [ -0.0001925300000000, -0.0000512700000000, -0.0001096000000000 ] - [ -0.0026037600000000, 0.0023853400000000, 0.0077189400000000 ] - [ -0.0001213100000000, -0.0000479500000000, 0.0005482800000000 ] - [ -0.0029895100000000, 0.0017124000000000, 0.0060466700000000 ] - [ -0.0001413700000000, -0.0000951700000000, 0.0004038600000000 ] - [ 0.0002569400000000, -0.0000128700000000, 0.0000400800000000 ] - [ 0.0009914800000000, 0.0003837300000000, -0.0000970300000000 ] - [ 0.0015939500000000, -0.0000064700000000, -0.0001540500000000 ] - [ 0.0000877000000000, -0.0001491900000000, -0.0000946400000000 ] - [ -0.0020573600000000, -0.0037407300000000, 0.0067391100000000 ] - [ 0.0000841000000000, 0.0000564500000000, 0.0000485700000000 ] - [ -0.0000401500000000, 0.0004027900000000, 0.0005025200000000 ] - [ -0.0004760700000000, -0.0010932100000000, 0.0009946300000000 ] - [ 0.0036685100000000, 0.0023474700000000, 0.0064551900000000 ] - [ -0.0001187400000000, -0.0001155700000000, 0.0000478100000000 ] - [ 0.0007821900000000, 0.0009270900000000, 0.0006700800000000 ] - [ 0.0001350300000000, -0.0003410100000000, 0.0003924300000000 ] - [ 0.0022739900000000, -0.0006695300000000, 0.0029507200000000 ] - [ 0.0000077300000000, -0.0000215700000000, 0.0001635200000000 ] - [ 0.0002261700000000, 0.0000422700000000, 0.0001127900000000 ] - [ 0.0028651400000000, -0.0010467300000000, 0.0024391500000000 ]- atom: 3 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0022222500000000, -0.0000096800000000, 0.0000323200000000 ] - [ -0.0021539600000000, 0.0000141500000000, 0.0000270000000000 ] - [ -0.1021617900000000, -0.0079872100000000, 0.0139657700000000 ] - [ -0.0001402500000000, -0.0000335900000000, 0.0000094700000000 ] - [ 0.0006307900000000, 0.0000126000000000, -0.0001121400000000 ] - [ 0.0006175100000000, 0.0000087500000000, 0.0000550600000000 ] - [ 0.0030883300000000, -0.0000120400000000, -0.0000544500000000 ] - [ 0.0000921200000000, -0.0000342300000000, -0.0000040900000000 ] - [ 0.0032304700000000, 0.0070016400000000, -0.0047053600000000 ] - [ -0.0003234400000000, -0.0001458900000000, -0.0002676000000000 ] - [ -0.0138119400000000, -0.0060521500000000, -0.0003341200000000 ] - [ -0.0000550400000000, 0.0001545800000000, 0.0000031000000000 ] - [ 0.0040427600000000, 0.0066251500000000, 0.0038895200000000 ] - [ -0.0001423300000000, -0.0002070400000000, 0.0001902700000000 ] - [ 0.0003704500000000, -0.0020723300000000, -0.0020077200000000 ] - [ 0.0009038300000000, 0.0009980400000000, -0.0001923300000000 ] - [ 0.0226528800000000, 0.0022631300000000, -0.0219987700000000 ] - [ 0.0000042700000000, -0.0001623400000000, -0.0000375300000000 ] - [ 0.0008860900000000, 0.0013801200000000, 0.0002268300000000 ] - [ 0.0003176200000000, -0.0017982700000000, 0.0019719900000000 ] - [ 0.0214006600000000, 0.0023310100000000, 0.0204740100000000 ] - [ -0.0000006900000000, -0.0001308200000000, 0.0000427100000000 ] - [ -0.0005735700000000, -0.0003098400000000, -0.0036619000000000 ] - [ 0.0001166000000000, 0.0000910600000000, -0.0001384700000000 ] - [ -0.0003039200000000, -0.0001306600000000, 0.0047299000000000 ] - [ 0.0002471500000000, 0.0001064800000000, 0.0002334000000000 ] - [ 0.0000561200000000, -0.0000329900000000, 0.0000252200000000 ] - [ 0.0012520200000000, -0.0000104200000000, -0.0004762200000000 ] - [ 0.0105798600000000, -0.0173147800000000, -0.0065585100000000 ] - [ 0.0003288400000000, 0.0004391500000000, 0.0000940200000000 ] - [ 0.0104791000000000, -0.0179624300000000, 0.0075421700000000 ] - [ 0.0003295300000000, 0.0004086900000000, 0.0004294800000000 ] - [ -0.0055566500000000, 0.0095626700000000, 0.0061564400000000 ] - [ -0.0004885000000000, -0.0001582900000000, 0.0003655700000000 ] - [ 0.0078323300000000, 0.0031622700000000, 0.0007129200000000 ] - [ 0.0003056500000000, -0.0003737100000000, 0.0000072600000000 ] - [ -0.0058026900000000, 0.0092463000000000, -0.0059485900000000 ] - [ -0.0002013200000000, -0.0002504500000000, -0.0001819300000000 ] - [ 0.0086863100000000, 0.0028868700000000, -0.0008540400000000 ] - [ 0.0006352000000000, -0.0002829500000000, -0.0002034500000000 ] - [ -0.0022471700000000, -0.0028676600000000, -0.0046758800000000 ] - [ -0.0001604800000000, 0.0002579200000000, -0.0005501800000000 ] - [ -0.0020430000000000, -0.0026133500000000, 0.0035368400000000 ] - [ -0.0001698000000000, 0.0002887200000000, 0.0000179500000000 ] - [ -0.0013489200000000, 0.0007816500000000, -0.0005799600000000 ] - [ -0.0012812200000000, 0.0010622500000000, 0.0006014200000000 ] - [ -0.0023293300000000, 0.0024391300000000, 0.0051744400000000 ] - [ -0.0002364500000000, -0.0000535400000000, 0.0001124200000000 ] - [ -0.0034913200000000, -0.0021885700000000, -0.0005816200000000 ] - [ 0.0000939700000000, 0.0002155500000000, 0.0000247600000000 ] - [ 0.0175389500000000, 0.0103217400000000, -0.0120801000000000 ] - [ 0.0000816300000000, 0.0000745500000000, -0.0000424900000000 ] - [ 0.0012165100000000, -0.0022868500000000, 0.0003867400000000 ] - [ 0.0008065600000000, -0.0001761100000000, 0.0003535800000000 ] - [ 0.0005362000000000, -0.0000590800000000, -0.0003334300000000 ] - [ 0.0008549800000000, -0.0024872100000000, -0.0003074100000000 ] - [ 0.0132292400000000, 0.0042117100000000, 0.0026737000000000 ] - [ -0.0000177600000000, 0.0000276100000000, -0.0000221700000000 ] - [ -0.0001586800000000, -0.0007166400000000, 0.0003140000000000 ] - [ 0.0003291400000000, 0.0056889900000000, -0.0007978300000000 ] - [ 0.0049818400000000, 0.0039346200000000, 0.0024279600000000 ] - [ -0.0000267300000000, -0.0000078200000000, 0.0001079500000000 ] - [ -0.0002699800000000, 0.0029417000000000, -0.0061126900000000 ] - [ 0.0000176900000000, -0.0001631300000000, -0.0002203400000000 ] - [ -0.0001078800000000, 0.0002088600000000, -0.0003959500000000 ] - [ -0.0036254400000000, -0.0018477100000000, -0.0001871000000000 ] - [ 0.0004617800000000, -0.0032166400000000, -0.0000140500000000 ] - [ 0.0006639300000000, 0.0004839900000000, -0.0004538000000000 ] - [ 0.0104512800000000, -0.0044584800000000, -0.0025472300000000 ] - [ 0.0000711200000000, 0.0001453500000000, -0.0000297100000000 ] - [ 0.0005350500000000, 0.0059010900000000, 0.0009406100000000 ] - [ -0.0001506200000000, -0.0006541800000000, -0.0001690100000000 ] - [ 0.0134839100000000, -0.0006272800000000, -0.0033800200000000 ] - [ -0.0000260100000000, -0.0000120100000000, -0.0000535500000000 ] - [ 0.0006811400000000, 0.0007225300000000, 0.0004977200000000 ] - [ 0.0004914800000000, -0.0031170100000000, 0.0001154100000000 ] - [ 0.0111328600000000, -0.0037057200000000, 0.0010396400000000 ] - [ 0.0000143700000000, 0.0000552500000000, -0.0000151700000000 ] - [ -0.0092247200000000, 0.0025196500000000, 0.0009889300000000 ] - [ -0.0006692800000000, -0.0000356300000000, 0.0000091700000000 ] - [ 0.0002618100000000, -0.0000693900000000, -0.0000718900000000 ] - [ 0.0045663100000000, -0.0002335500000000, -0.0002072200000000 ] - [ -0.0003673500000000, -0.0000509600000000, 0.0000387200000000 ] - [ -0.0088767500000000, 0.0027242800000000, -0.0010759900000000 ] - [ 0.0048649900000000, -0.0003744500000000, -0.0001040000000000 ] - [ 0.0005451900000000, -0.0000481500000000, 0.0000191300000000 ] - [ -0.0004880400000000, 0.0004820000000000, 0.0001917000000000 ] - [ -0.0014180500000000, -0.0005135600000000, -0.0000221300000000 ] - [ -0.0048251200000000, -0.0027698800000000, 0.0009450600000000 ] - [ -0.0000187700000000, 0.0000769100000000, 0.0000687800000000 ] - [ 0.0001357700000000, 0.0004234800000000, 0.0010566500000000 ] - [ -0.0001279700000000, -0.0003575200000000, 0.0001594200000000 ] - [ -0.0017404000000000, 0.0020924300000000, 0.0045609400000000 ] - [ 0.0000180600000000, 0.0000476500000000, 0.0001002000000000 ] - [ -0.0014511200000000, -0.0007488100000000, -0.0001382500000000 ] - [ -0.0004735400000000, 0.0002988500000000, -0.0001972700000000 ] - [ -0.0048168100000000, -0.0024397200000000, -0.0008528800000000 ] - [ -0.0000774000000000, 0.0001787900000000, -0.0000295300000000 ] - [ 0.0000135500000000, 0.0000696800000000, 0.0004749700000000 ] - [ -0.0006082200000000, -0.0018988300000000, 0.0045401400000000 ] - [ -0.0006838400000000, -0.0004137900000000, 0.0030220400000000 ] - [ -0.0000326900000000, -0.0000647600000000, 0.0002665100000000 ] - [ -0.0015623500000000, 0.0021605500000000, -0.0042465700000000 ] - [ 0.0000230300000000, 0.0000493000000000, -0.0001485900000000 ] - [ -0.0001098600000000, -0.0004349400000000, -0.0003130000000000 ] - [ 0.0001683400000000, 0.0003785200000000, -0.0009978800000000 ] - [ 0.0001642500000000, -0.0001533400000000, 0.0003002600000000 ] - [ 0.0004965400000000, -0.0000031700000000, 0.0001796300000000 ] - [ 0.0016994800000000, 0.0009075800000000, 0.0006268400000000 ] - [ 0.0000806600000000, -0.0000453500000000, 0.0000179700000000 ] - [ 0.0002879500000000, 0.0000862700000000, -0.0003809500000000 ] - [ -0.0001124900000000, -0.0002273500000000, -0.0002978200000000 ] - [ 0.0013626100000000, 0.0008683800000000, -0.0003625100000000 ] - [ -0.0000135500000000, 0.0000116700000000, 0.0000416500000000 ] - [ -0.0016717200000000, -0.0020697200000000, -0.0039285700000000 ] - [ -0.0001728300000000, 0.0000622600000000, -0.0001188900000000 ] - [ -0.0004534000000000, -0.0002388100000000, -0.0021879300000000 ] - [ 0.0001767100000000, 0.0000287000000000, -0.0001495200000000 ]- atom: 3 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0021899200000000, 0.0000670600000000, 0.0000850500000000 ] - [ 0.0021329800000000, 0.0000342800000000, 0.0000913300000000 ] - [ 0.1018493300000000, 0.0082654100000000, -0.0132395700000000 ] - [ 0.0001145800000000, -0.0000099300000000, 0.0000225300000000 ] - [ -0.0005965100000000, 0.0000329000000000, -0.0000196100000000 ] - [ -0.0005852300000000, 0.0000374000000000, -0.0001867700000000 ] - [ -0.0030734500000000, -0.0000315100000000, 0.0000207200000000 ] - [ -0.0000764300000000, -0.0000078200000000, -0.0000158900000000 ] - [ -0.0035466100000000, -0.0069764000000000, 0.0046516100000000 ] - [ -0.0000321400000000, 0.0001723300000000, 0.0001828700000000 ] - [ 0.0138074500000000, 0.0063999700000000, 0.0001658500000000 ] - [ 0.0000539900000000, 0.0001978500000000, -0.0000027900000000 ] - [ -0.0042436600000000, -0.0066011500000000, -0.0038772500000000 ] - [ -0.0000304600000000, 0.0002284200000000, -0.0002068800000000 ] - [ -0.0003706200000000, 0.0017705000000000, 0.0020010400000000 ] - [ -0.0009114000000000, -0.0012965900000000, 0.0001914700000000 ] - [ -0.0224313700000000, -0.0025562200000000, 0.0217057700000000 ] - [ -0.0000055300000000, -0.0001234900000000, 0.0000370800000000 ] - [ -0.0008809300000000, -0.0012071900000000, -0.0002296700000000 ] - [ -0.0003186400000000, 0.0019777900000000, -0.0019805800000000 ] - [ -0.0216069400000000, -0.0025507500000000, -0.0207492800000000 ] - [ -0.0000006800000000, -0.0000776700000000, -0.0000430600000000 ] - [ 0.0007502600000000, 0.0003265100000000, 0.0036949700000000 ] - [ 0.0000548900000000, -0.0000693300000000, 0.0001557700000000 ] - [ 0.0006511700000000, 0.0001608800000000, -0.0046279900000000 ] - [ 0.0001077400000000, -0.0000807300000000, -0.0001479500000000 ] - [ -0.0000576700000000, -0.0000190500000000, -0.0000240100000000 ] - [ -0.0012577300000000, -0.0000423000000000, 0.0004860900000000 ] - [ -0.0105960800000000, 0.0174006200000000, 0.0069692300000000 ] - [ -0.0002844500000000, -0.0004182600000000, 0.0003095300000000 ] - [ -0.0103945800000000, 0.0178782300000000, -0.0068648600000000 ] - [ -0.0003015000000000, -0.0004286800000000, 0.0002527400000000 ] - [ 0.0050854300000000, -0.0092864600000000, -0.0059463600000000 ] - [ 0.0000277300000000, 0.0004064800000000, -0.0001782200000000 ] - [ -0.0080178900000000, -0.0030981800000000, -0.0009088700000000 ] - [ -0.0004883400000000, 0.0004195600000000, -0.0002024200000000 ] - [ 0.0060002900000000, -0.0092336200000000, 0.0061652500000000 ] - [ 0.0003835400000000, 0.0002967500000000, 0.0003768400000000 ] - [ -0.0082337900000000, -0.0026580100000000, 0.0006590200000000 ] - [ -0.0001767200000000, 0.0005330200000000, 0.0000149200000000 ] - [ 0.0022084000000000, 0.0028422200000000, 0.0039784800000000 ] - [ 0.0001292600000000, -0.0002769500000000, -0.0001325200000000 ] - [ 0.0020043600000000, 0.0026370300000000, -0.0039545300000000 ] - [ 0.0001238200000000, -0.0002675200000000, -0.0004220000000000 ] - [ 0.0013422100000000, -0.0007420400000000, 0.0005760700000000 ] - [ 0.0012862800000000, -0.0010346000000000, -0.0006058300000000 ] - [ 0.0020516800000000, -0.0023779300000000, -0.0052153100000000 ] - [ -0.0000504500000000, 0.0001265500000000, -0.0001320000000000 ] - [ 0.0037689000000000, 0.0021921000000000, 0.0004933100000000 ] - [ 0.0001842300000000, -0.0002263300000000, -0.0001056500000000 ] - [ -0.0175693500000000, -0.0104871500000000, 0.0122869000000000 ] - [ -0.0000573700000000, 0.0000054500000000, -0.0001105800000000 ] - [ -0.0009619200000000, 0.0022152800000000, -0.0004268000000000 ] - [ -0.0005559600000000, 0.0001199100000000, -0.0003937900000000 ] - [ -0.0007458400000000, 0.0000729000000000, 0.0003161600000000 ] - [ -0.0010684600000000, 0.0025159800000000, 0.0002914900000000 ] - [ -0.0132481100000000, -0.0040760700000000, -0.0024089100000000 ] - [ -0.0001355900000000, -0.0000742700000000, 0.0000268600000000 ] - [ 0.0000780700000000, 0.0005420300000000, -0.0001218600000000 ] - [ -0.0004110000000000, -0.0058892100000000, 0.0009947200000000 ] - [ -0.0060164900000000, -0.0032248400000000, -0.0022916800000000 ] - [ -0.0000236800000000, 0.0002046000000000, 0.0001247500000000 ] - [ 0.0003862800000000, -0.0030197700000000, 0.0058749000000000 ] - [ 0.0000985100000000, 0.0000701500000000, 0.0000077200000000 ] - [ 0.0000782800000000, -0.0001794300000000, -0.0002323800000000 ] - [ 0.0035974600000000, 0.0018650200000000, -0.0004560300000000 ] - [ -0.0004182300000000, 0.0028422900000000, 0.0000736900000000 ] - [ -0.0006206000000000, -0.0008534100000000, 0.0005136500000000 ] - [ -0.0105809200000000, 0.0044749000000000, 0.0023280300000000 ] - [ -0.0000330300000000, -0.0000234300000000, 0.0000162500000000 ] - [ -0.0005556700000000, -0.0059419500000000, -0.0008896400000000 ] - [ 0.0001285200000000, 0.0005905100000000, 0.0002172100000000 ] - [ -0.0122601200000000, 0.0000730800000000, 0.0030775400000000 ] - [ -0.0000231300000000, 0.0001967400000000, -0.0000850200000000 ] - [ -0.0005998700000000, -0.0006928800000000, -0.0005422300000000 ] - [ -0.0004105100000000, 0.0031527600000000, -0.0001627400000000 ] - [ -0.0110490200000000, 0.0037531800000000, -0.0013435000000000 ] - [ -0.0000905100000000, -0.0001228500000000, -0.0000721200000000 ] - [ 0.0086219300000000, -0.0025502200000000, -0.0011086800000000 ] - [ 0.0000553400000000, 0.0000086300000000, -0.0001324200000000 ] - [ -0.0002219200000000, 0.0000375200000000, -0.0001277000000000 ] - [ -0.0045345000000000, 0.0002014700000000, 0.0000088300000000 ] - [ 0.0003247800000000, 0.0000198200000000, 0.0001612200000000 ] - [ 0.0088296700000000, -0.0027538300000000, 0.0012786300000000 ] - [ -0.0042455200000000, 0.0003489900000000, 0.0002292300000000 ] - [ 0.0000673200000000, 0.0000219800000000, 0.0001036900000000 ] - [ 0.0004057200000000, -0.0004530100000000, -0.0001442700000000 ] - [ 0.0013397700000000, 0.0005355200000000, 0.0000730000000000 ] - [ 0.0048999800000000, 0.0026926000000000, -0.0008448600000000 ] - [ 0.0000949800000000, -0.0001444100000000, 0.0000173100000000 ] - [ -0.0001116900000000, -0.0004881700000000, -0.0011012500000000 ] - [ 0.0001525000000000, 0.0002929700000000, -0.0002095700000000 ] - [ 0.0017866700000000, -0.0019039000000000, -0.0044057400000000 ] - [ 0.0000278000000000, 0.0001373200000000, 0.0000395400000000 ] - [ 0.0014013100000000, 0.0003869600000000, 0.0000839300000000 ] - [ 0.0004258400000000, -0.0006682500000000, 0.0001399900000000 ] - [ 0.0047813100000000, 0.0025740000000000, 0.0008779800000000 ] - [ 0.0000392300000000, -0.0000573700000000, 0.0000433400000000 ] - [ 0.0000147700000000, -0.0000412300000000, 0.0001527800000000 ] - [ 0.0006370300000000, 0.0019347800000000, -0.0039247400000000 ] - [ 0.0005554600000000, 0.0003137200000000, -0.0027956500000000 ] - [ -0.0000844000000000, -0.0000285000000000, -0.0000539300000000 ] - [ 0.0016136200000000, -0.0019650200000000, 0.0040287600000000 ] - [ 0.0000267900000000, 0.0001471900000000, -0.0000849000000000 ] - [ 0.0001865800000000, 0.0002606700000000, 0.0001229800000000 ] - [ -0.0000929100000000, -0.0005523100000000, 0.0008097200000000 ] - [ 0.0000458400000000, 0.0001669400000000, -0.0002825200000000 ] - [ -0.0002895800000000, 0.0000202200000000, -0.0001637300000000 ] - [ -0.0015556200000000, -0.0009462900000000, -0.0006212600000000 ] - [ 0.0000720200000000, -0.0000013100000000, -0.0000232700000000 ] - [ -0.0005414700000000, -0.0001466900000000, 0.0004202100000000 ] - [ -0.0001425500000000, 0.0001705900000000, 0.0003394700000000 ] - [ -0.0013799600000000, -0.0007927400000000, 0.0005272800000000 ] - [ -0.0000127400000000, 0.0000690400000000, 0.0001111300000000 ] - [ 0.0013871500000000, 0.0020498300000000, 0.0039915800000000 ] - [ -0.0001066600000000, -0.0000728900000000, 0.0001998300000000 ] - [ 0.0007479700000000, 0.0003168700000000, 0.0022145200000000 ] - [ 0.0001077800000000, 0.0000438200000000, 0.0001693300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000965900000000, 0.0034819600000000, 0.0000052300000000 ] - [ 0.0000371100000000, 0.0035236600000000, 0.0001285700000000 ] - [ -0.0081877600000000, -0.0715570900000000, 0.0132499600000000 ] - [ -0.0000273500000000, 0.0016822600000000, 0.0000310900000000 ] - [ -0.0000152800000000, 0.0009489000000000, -0.0001161200000000 ] - [ -0.0000086800000000, 0.0009622300000000, -0.0000123800000000 ] - [ 0.0000003800000000, -0.0041194900000000, 0.0000302600000000 ] - [ 0.0000242100000000, 0.0016197100000000, -0.0000230300000000 ] - [ 0.0056583100000000, 0.0056176900000000, -0.0048538000000000 ] - [ -0.0003059700000000, 0.0023820200000000, 0.0000402400000000 ] - [ -0.0070503200000000, -0.0202673400000000, -0.0006898700000000 ] - [ 0.0000203900000000, 0.0024349500000000, 0.0000013600000000 ] - [ 0.0055216600000000, 0.0052467700000000, 0.0038800800000000 ] - [ -0.0002012800000000, 0.0022721100000000, -0.0000599500000000 ] - [ -0.0008211600000000, 0.0026172300000000, 0.0013682800000000 ] - [ 0.0015864800000000, 0.0026797000000000, -0.0000942500000000 ] - [ 0.0026895700000000, -0.0201276500000000, 0.0058817700000000 ] - [ -0.0000123300000000, 0.0024605600000000, -0.0000187600000000 ] - [ 0.0014722400000000, 0.0028288400000000, 0.0000985900000000 ] - [ -0.0008199000000000, 0.0028956100000000, -0.0013390100000000 ] - [ 0.0031857400000000, -0.0191707900000000, -0.0054418800000000 ] - [ -0.0000123500000000, 0.0025424800000000, 0.0000151900000000 ] - [ 0.0017963700000000, -0.0017243000000000, 0.0009558800000000 ] - [ 0.0001097900000000, 0.0020995100000000, -0.0000390500000000 ] - [ 0.0020028800000000, -0.0019310300000000, -0.0015379300000000 ] - [ 0.0002030700000000, 0.0022064200000000, 0.0001027100000000 ] - [ 0.0000020500000000, 0.0001737100000000, -0.0000039000000000 ] - [ -0.0001563700000000, -0.0002698800000000, 0.0000001700000000 ] - [ -0.0079737100000000, 0.0070880700000000, 0.0032133700000000 ] - [ 0.0001685200000000, 0.0027318100000000, 0.0001778800000000 ] - [ -0.0085750400000000, 0.0077460600000000, -0.0028349900000000 ] - [ 0.0001911900000000, 0.0028429300000000, 0.0004236700000000 ] - [ 0.0007920300000000, 0.0073973600000000, 0.0084475900000000 ] - [ -0.0002536900000000, 0.0030357100000000, -0.0001283400000000 ] - [ -0.0003223800000000, -0.0022815100000000, -0.0029424100000000 ] - [ -0.0001464700000000, 0.0025506300000000, 0.0000084700000000 ] - [ 0.0009818500000000, 0.0078573400000000, -0.0089508400000000 ] - [ 0.0000727200000000, 0.0028209900000000, 0.0002589900000000 ] - [ 0.0001565300000000, -0.0023245700000000, 0.0031426400000000 ] - [ 0.0001664500000000, 0.0027420400000000, -0.0001579200000000 ] - [ -0.0033368800000000, -0.0023304300000000, -0.0008724000000000 ] - [ 0.0000817800000000, 0.0025995800000000, -0.0004021000000000 ] - [ -0.0037849600000000, -0.0023126200000000, -0.0000734300000000 ] - [ 0.0000999000000000, 0.0025153200000000, -0.0001956200000000 ] - [ -0.0008822700000000, 0.0029133300000000, -0.0016914500000000 ] - [ -0.0011195800000000, 0.0029643100000000, 0.0016243800000000 ] - [ 0.0007268500000000, -0.0001881700000000, -0.0019957200000000 ] - [ -0.0001666400000000, -0.0007173700000000, 0.0000287100000000 ] - [ -0.0023664900000000, -0.0002432200000000, -0.0011143400000000 ] - [ 0.0002257900000000, -0.0010621900000000, -0.0000091800000000 ] - [ 0.0103410000000000, 0.0240863900000000, -0.0135388900000000 ] - [ -0.0004062600000000, -0.0016362600000000, -0.0001250600000000 ] - [ 0.0004225700000000, -0.0027611400000000, 0.0014658400000000 ] - [ 0.0008316100000000, -0.0018698700000000, -0.0002271100000000 ] - [ 0.0006508600000000, -0.0018413700000000, 0.0002111000000000 ] - [ 0.0003130900000000, -0.0027404500000000, -0.0014250800000000 ] - [ 0.0043698700000000, 0.0169863700000000, 0.0021191300000000 ] - [ -0.0005163200000000, -0.0016874300000000, 0.0000207600000000 ] - [ -0.0006427500000000, -0.0020346300000000, 0.0005964700000000 ] - [ 0.0012471900000000, -0.0029156300000000, 0.0008789200000000 ] - [ 0.0011588800000000, 0.0117026600000000, 0.0023148100000000 ] - [ 0.0002659000000000, -0.0016968000000000, -0.0003315900000000 ] - [ 0.0009746100000000, -0.0004709300000000, 0.0028165700000000 ] - [ 0.0000291100000000, -0.0010652600000000, -0.0001736500000000 ] - [ 0.0000629800000000, -0.0008836300000000, -0.0003426600000000 ] - [ -0.0020449500000000, -0.0001312100000000, 0.0005899000000000 ] - [ -0.0011922300000000, -0.0030638100000000, -0.0006905700000000 ] - [ -0.0000808700000000, -0.0022735200000000, 0.0008071200000000 ] - [ -0.0024799200000000, 0.0122551100000000, 0.0003350100000000 ] - [ 0.0002939300000000, -0.0018211300000000, -0.0004686900000000 ] - [ 0.0011644300000000, -0.0029881000000000, -0.0007195000000000 ] - [ -0.0006427300000000, -0.0020805600000000, -0.0005039100000000 ] - [ -0.0026555600000000, 0.0142712800000000, -0.0018546200000000 ] - [ 0.0002637100000000, -0.0017279800000000, 0.0003971400000000 ] - [ -0.0001064400000000, -0.0020557500000000, -0.0007871800000000 ] - [ -0.0012348300000000, -0.0031049700000000, 0.0007471100000000 ] - [ -0.0015336300000000, 0.0131935400000000, -0.0021078900000000 ] - [ 0.0002311300000000, -0.0019059100000000, 0.0004156900000000 ] - [ 0.0029723400000000, -0.0008083200000000, -0.0008464400000000 ] - [ -0.0003854300000000, -0.0009412400000000, -0.0000281800000000 ] - [ -0.0000620800000000, -0.0009893800000000, -0.0001707100000000 ] - [ 0.0029665000000000, -0.0005175100000000, 0.0022228900000000 ] - [ -0.0000984400000000, -0.0009222400000000, 0.0000738800000000 ] - [ 0.0031003400000000, -0.0008874100000000, 0.0010680000000000 ] - [ 0.0028938300000000, -0.0003990600000000, -0.0020326800000000 ] - [ 0.0002166200000000, -0.0010015100000000, 0.0001216400000000 ] - [ 0.0003598700000000, -0.0015911200000000, 0.0002490700000000 ] - [ -0.0003347900000000, -0.0002701500000000, 0.0006735200000000 ] - [ -0.0007920800000000, 0.0043639900000000, 0.0006071300000000 ] - [ -0.0002094800000000, -0.0018077100000000, -0.0004253600000000 ] - [ 0.0008200900000000, -0.0002943000000000, -0.0001297300000000 ] - [ 0.0000494000000000, -0.0016538600000000, 0.0004482900000000 ] - [ 0.0010155600000000, 0.0043671700000000, -0.0004200400000000 ] - [ -0.0002860400000000, -0.0016430400000000, -0.0003791000000000 ] - [ -0.0002998000000000, -0.0005316900000000, -0.0007447700000000 ] - [ 0.0003511500000000, -0.0018015200000000, -0.0002819900000000 ] - [ -0.0007060600000000, 0.0044676200000000, -0.0006700600000000 ] - [ -0.0002699600000000, -0.0017270700000000, 0.0004851400000000 ] - [ 0.0000552900000000, -0.0008418100000000, 0.0002340700000000 ] - [ -0.0013629100000000, -0.0008303600000000, 0.0028309200000000 ] - [ -0.0006256100000000, -0.0002685000000000, 0.0019096900000000 ] - [ -0.0000468900000000, -0.0010047500000000, 0.0000593100000000 ] - [ 0.0009237800000000, 0.0042810600000000, -0.0000258800000000 ] - [ -0.0002935400000000, -0.0016217900000000, 0.0003189100000000 ] - [ 0.0000878200000000, -0.0016692800000000, -0.0005605800000000 ] - [ 0.0009348200000000, -0.0003108300000000, 0.0000520900000000 ] - [ -0.0003380300000000, -0.0015806900000000, 0.0005358600000000 ] - [ -0.0000438500000000, -0.0002930600000000, -0.0005349100000000 ] - [ 0.0004940200000000, 0.0044480400000000, -0.0006200000000000 ] - [ 0.0005080100000000, -0.0016244700000000, -0.0000105800000000 ] - [ -0.0003692200000000, -0.0004269000000000, 0.0006211800000000 ] - [ -0.0004645300000000, -0.0015896900000000, -0.0004966800000000 ] - [ 0.0003969600000000, 0.0045874000000000, 0.0009725100000000 ] - [ 0.0004039900000000, -0.0015787700000000, 0.0001078700000000 ] - [ -0.0017809700000000, -0.0008554100000000, -0.0022760300000000 ] - [ -0.0000845500000000, -0.0010102200000000, 0.0001252300000000 ] - [ -0.0004454000000000, -0.0001268800000000, -0.0010538500000000 ] - [ 0.0001412900000000, -0.0006878900000000, 0.0000547700000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001188800000000, -0.0034363600000000, 0.0001100100000000 ] - [ -0.0000627200000000, -0.0034287300000000, -0.0000118400000000 ] - [ 0.0081249700000000, 0.0717329000000000, -0.0136764300000000 ] - [ -0.0000002600000000, -0.0017332400000000, 0.0000054200000000 ] - [ 0.0000467500000000, -0.0008982200000000, -0.0000089200000000 ] - [ 0.0000430900000000, -0.0009184700000000, -0.0001150500000000 ] - [ 0.0000169500000000, 0.0040548200000000, -0.0000601500000000 ] - [ -0.0000044800000000, -0.0016834100000000, -0.0000004300000000 ] - [ -0.0060601800000000, -0.0055555900000000, 0.0048417900000000 ] - [ -0.0000619700000000, -0.0023461400000000, -0.0001137300000000 ] - [ 0.0070447500000000, 0.0205858300000000, 0.0005275400000000 ] - [ -0.0000205600000000, -0.0021135700000000, -0.0000000700000000 ] - [ -0.0056700900000000, -0.0052564900000000, -0.0038448400000000 ] - [ 0.0000228300000000, -0.0022622100000000, 0.0000393500000000 ] - [ 0.0008282100000000, -0.0028843900000000, -0.0013776200000000 ] - [ -0.0015746200000000, -0.0029477200000000, 0.0000944300000000 ] - [ -0.0027925400000000, 0.0198144000000000, -0.0058140800000000 ] - [ 0.0000127200000000, -0.0027812100000000, 0.0000188800000000 ] - [ -0.0014841100000000, -0.0026290000000000, -0.0001000100000000 ] - [ 0.0008144200000000, -0.0026952100000000, 0.0013297700000000 ] - [ -0.0030913700000000, 0.0189294800000000, 0.0055007600000000 ] - [ 0.0000116700000000, -0.0027814300000000, -0.0000151500000000 ] - [ -0.0016200000000000, 0.0017229800000000, -0.0009297100000000 ] - [ 0.0000707900000000, -0.0020894200000000, 0.0000621300000000 ] - [ -0.0016346800000000, 0.0019788800000000, 0.0016240300000000 ] - [ 0.0001653100000000, -0.0021714200000000, -0.0000269100000000 ] - [ -0.0000026300000000, -0.0002265100000000, 0.0000053300000000 ] - [ 0.0001547500000000, 0.0002149100000000, 0.0000053600000000 ] - [ 0.0079573300000000, -0.0071163500000000, -0.0028109800000000 ] - [ -0.0001163900000000, -0.0027274800000000, 0.0002279600000000 ] - [ 0.0087009400000000, -0.0077210200000000, 0.0035393000000000 ] - [ -0.0001438600000000, -0.0028517100000000, 0.0002950100000000 ] - [ -0.0012943500000000, -0.0071078800000000, -0.0083624000000000 ] - [ -0.0002024500000000, -0.0027800700000000, 0.0002782900000000 ] - [ 0.0001442200000000, 0.0023036800000000, 0.0027536100000000 ] - [ -0.0000407600000000, -0.0025150000000000, -0.0001934200000000 ] - [ -0.0007409400000000, -0.0078547100000000, 0.0090626400000000 ] - [ 0.0001166700000000, -0.0027877300000000, -0.0000750100000000 ] - [ 0.0002883600000000, 0.0025922800000000, -0.0032987100000000 ] - [ 0.0002894900000000, -0.0024878800000000, 0.0000064700000000 ] - [ 0.0033025900000000, 0.0023346600000000, 0.0001439300000000 ] - [ -0.0001270900000000, -0.0026097100000000, -0.0003160200000000 ] - [ 0.0037200900000000, 0.0023045700000000, -0.0003462100000000 ] - [ -0.0001540600000000, -0.0025088700000000, -0.0002098500000000 ] - [ 0.0008897400000000, -0.0028480700000000, 0.0017051000000000 ] - [ 0.0011119700000000, -0.0028976000000000, -0.0016129100000000 ] - [ -0.0010090200000000, 0.0002651900000000, 0.0019736500000000 ] - [ -0.0001150400000000, 0.0007857800000000, -0.0000479000000000 ] - [ 0.0026522500000000, 0.0002243200000000, 0.0010469800000000 ] - [ 0.0000494800000000, 0.0010511100000000, -0.0000543700000000 ] - [ -0.0106866100000000, -0.0242656400000000, 0.0140192700000000 ] - [ 0.0004266200000000, 0.0017137300000000, -0.0000396200000000 ] - [ -0.0001711900000000, 0.0027057400000000, -0.0015313500000000 ] - [ -0.0005836600000000, 0.0018114100000000, 0.0001786500000000 ] - [ -0.0008531400000000, 0.0018541000000000, -0.0002347800000000 ] - [ -0.0005203100000000, 0.0027545900000000, 0.0013892000000000 ] - [ -0.0042737300000000, -0.0167940200000000, -0.0017443600000000 ] - [ 0.0003750600000000, 0.0016421000000000, -0.0000297400000000 ] - [ 0.0005673500000000, 0.0018629500000000, -0.0003944200000000 ] - [ -0.0013044700000000, 0.0027439400000000, -0.0006731000000000 ] - [ -0.0014898100000000, -0.0113114600000000, -0.0020658300000000 ] - [ -0.0003125600000000, 0.0018901000000000, 0.0005778900000000 ] - [ -0.0008538700000000, 0.0003679000000000, -0.0030239400000000 ] - [ 0.0001015200000000, 0.0009706600000000, -0.0000307000000000 ] - [ -0.0000920800000000, 0.0009111200000000, -0.0002825300000000 ] - [ 0.0020133100000000, 0.0001648900000000, -0.0012164300000000 ] - [ 0.0012566700000000, 0.0026898700000000, 0.0007730300000000 ] - [ 0.0001313500000000, 0.0018985600000000, -0.0007421200000000 ] - [ 0.0023901600000000, -0.0123202000000000, -0.0005925400000000 ] - [ -0.0002477100000000, 0.0019482300000000, 0.0004622500000000 ] - [ -0.0012124100000000, 0.0029134300000000, 0.0007713700000000 ] - [ 0.0006153500000000, 0.0020063500000000, 0.0005516200000000 ] - [ 0.0029991300000000, -0.0143102200000000, 0.0017059000000000 ] - [ -0.0003201500000000, 0.0019198000000000, -0.0005309500000000 ] - [ 0.0001802800000000, 0.0020806200000000, 0.0007437400000000 ] - [ 0.0012954000000000, 0.0031269800000000, -0.0007753800000000 ] - [ 0.0016124800000000, -0.0130507500000000, 0.0017247700000000 ] - [ -0.0003180300000000, 0.0018384300000000, -0.0005007900000000 ] - [ -0.0035618600000000, 0.0007645400000000, 0.0007385000000000 ] - [ -0.0002226100000000, 0.0009154300000000, -0.0000812800000000 ] - [ 0.0001088400000000, 0.0009548500000000, -0.0000316800000000 ] - [ -0.0029157300000000, 0.0004900900000000, -0.0024126100000000 ] - [ 0.0000525000000000, 0.0008876700000000, 0.0001307400000000 ] - [ -0.0031640400000000, 0.0008697300000000, -0.0008611800000000 ] - [ -0.0022887000000000, 0.0003657900000000, 0.0021562500000000 ] - [ 0.0003904300000000, 0.0009760800000000, -0.0000108000000000 ] - [ -0.0004355800000000, 0.0016126000000000, -0.0002005700000000 ] - [ 0.0002537400000000, 0.0002991200000000, -0.0006261400000000 ] - [ 0.0008858400000000, -0.0044249400000000, -0.0005184500000000 ] - [ 0.0002978800000000, 0.0017400400000000, 0.0005107300000000 ] - [ -0.0007936900000000, 0.0002146300000000, 0.0000869200000000 ] - [ -0.0000247600000000, 0.0015833200000000, -0.0004973300000000 ] - [ -0.0009606300000000, -0.0041813800000000, 0.0005519300000000 ] - [ 0.0003412600000000, 0.0018359900000000, 0.0005152800000000 ] - [ 0.0002544000000000, 0.0001508300000000, 0.0006809200000000 ] - [ -0.0003997100000000, 0.0014298000000000, 0.0002219200000000 ] - [ 0.0006566100000000, -0.0043455600000000, 0.0006797600000000 ] - [ 0.0002255300000000, 0.0018549300000000, -0.0004776800000000 ] - [ -0.0000260300000000, 0.0008682300000000, 0.0003928600000000 ] - [ 0.0013857400000000, 0.0008735400000000, -0.0022176000000000 ] - [ 0.0004856200000000, 0.0001588600000000, -0.0016915400000000 ] - [ -0.0000832500000000, 0.0009108900000000, 0.0001451100000000 ] - [ -0.0008726000000000, -0.0040803400000000, -0.0002232900000000 ] - [ 0.0003414600000000, 0.0018144800000000, -0.0005652200000000 ] - [ -0.0000083900000000, 0.0014943200000000, 0.0003610800000000 ] - [ -0.0008538700000000, 0.0001421600000000, -0.0002478900000000 ] - [ 0.0005379600000000, 0.0015916500000000, -0.0005172700000000 ] - [ 0.0002495800000000, 0.0003126200000000, 0.0005492700000000 ] - [ -0.0003565300000000, -0.0044862200000000, 0.0006359000000000 ] - [ -0.0003654600000000, 0.0015790400000000, 0.0000196700000000 ] - [ 0.0001200200000000, 0.0003628700000000, -0.0005772400000000 ] - [ 0.0002185900000000, 0.0015312700000000, 0.0005410000000000 ] - [ -0.0004101300000000, -0.0045152400000000, -0.0008024300000000 ] - [ -0.0004241100000000, 0.0016568400000000, 0.0000570900000000 ] - [ 0.0015046700000000, 0.0008260700000000, 0.0023281700000000 ] - [ -0.0001888900000000, 0.0009987900000000, -0.0000595800000000 ] - [ 0.0007426300000000, 0.0002049200000000, 0.0010865100000000 ] - [ 0.0001410100000000, 0.0007555100000000, -0.0000339700000000 ]- atom: 3 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0010208600000000, 0.0000339800000000, -0.0018181800000000 ] - [ 0.0010781800000000, 0.0000153900000000, -0.0018816300000000 ] - [ 0.0622177400000000, 0.0162026900000000, -0.1219046500000000 ] - [ 0.0000446400000000, -0.0000192400000000, -0.0001066800000000 ] - [ -0.0002798600000000, 0.0000268000000000, 0.0005864800000000 ] - [ -0.0002318900000000, 0.0000325000000000, 0.0005778500000000 ] - [ -0.0015460100000000, -0.0000814700000000, 0.0035291400000000 ] - [ -0.0000277600000000, -0.0000177900000000, 0.0000739500000000 ] - [ -0.0093696200000000, -0.0130074700000000, 0.0037852500000000 ] - [ -0.0004140100000000, 0.0004461200000000, 0.0000662400000000 ] - [ 0.0064638000000000, 0.0025649700000000, 0.0382504700000000 ] - [ 0.0000216400000000, 0.0001724000000000, 0.0000135600000000 ] - [ 0.0055422500000000, 0.0057273100000000, -0.0009055600000000 ] - [ 0.0002351900000000, -0.0001963700000000, -0.0001009400000000 ] - [ -0.0006632200000000, 0.0012760200000000, 0.0006960200000000 ] - [ -0.0018607000000000, -0.0020017900000000, -0.0003697900000000 ] - [ -0.0297768800000000, 0.0031900600000000, 0.0120351400000000 ] - [ -0.0000458000000000, -0.0001387000000000, -0.0000156900000000 ] - [ 0.0009981100000000, 0.0007083100000000, -0.0007254100000000 ] - [ 0.0003323000000000, 0.0005638800000000, -0.0012972500000000 ] - [ 0.0070573700000000, -0.0058838900000000, -0.0095952600000000 ] - [ 0.0000457600000000, -0.0001050900000000, -0.0000583200000000 ] - [ -0.0041128900000000, 0.0028734800000000, 0.0044323900000000 ] - [ -0.0002372700000000, -0.0003506100000000, 0.0001856700000000 ] - [ 0.0047627900000000, -0.0026036200000000, 0.0009325800000000 ] - [ 0.0004567000000000, 0.0003276300000000, 0.0000849200000000 ] - [ -0.0000379000000000, -0.0000202600000000, 0.0000260200000000 ] - [ -0.0000284100000000, 0.0000054900000000, 0.0010204700000000 ] - [ -0.0062688500000000, 0.0083686000000000, 0.0010783300000000 ] - [ -0.0001004900000000, -0.0001722400000000, 0.0000562500000000 ] - [ -0.0038416800000000, 0.0094059100000000, -0.0070833100000000 ] - [ -0.0001373600000000, -0.0002497500000000, 0.0000121700000000 ] - [ 0.0018670300000000, 0.0089377000000000, 0.0056685000000000 ] - [ 0.0000026300000000, -0.0000849400000000, 0.0001442400000000 ] - [ -0.0040500200000000, -0.0031184800000000, -0.0038661800000000 ] - [ -0.0002831700000000, 0.0003074200000000, -0.0002888600000000 ] - [ 0.0037831500000000, -0.0183662500000000, 0.0121880600000000 ] - [ 0.0001268400000000, 0.0005075300000000, 0.0004235200000000 ] - [ -0.0043125400000000, 0.0002418100000000, -0.0028096200000000 ] - [ 0.0000259000000000, 0.0002415300000000, -0.0001646400000000 ] - [ -0.0029762500000000, 0.0025549200000000, 0.0068516100000000 ] - [ -0.0000737200000000, -0.0003478900000000, 0.0000249800000000 ] - [ 0.0044159500000000, 0.0003180800000000, 0.0027612500000000 ] - [ 0.0001191000000000, 0.0001203900000000, -0.0000695600000000 ] - [ 0.0016244600000000, -0.0021669200000000, 0.0016066200000000 ] - [ -0.0005099600000000, 0.0015794300000000, 0.0009654500000000 ] - [ 0.0021438600000000, -0.0015465900000000, -0.0020222400000000 ] - [ -0.0000148400000000, 0.0001352900000000, 0.0000135700000000 ] - [ 0.0048260400000000, 0.0022457800000000, 0.0034023300000000 ] - [ 0.0002609200000000, -0.0001367000000000, 0.0000506600000000 ] - [ -0.0171602500000000, -0.0157977300000000, 0.0350412300000000 ] - [ -0.0000023300000000, -0.0000720000000000, -0.0000579300000000 ] - [ -0.0008792900000000, 0.0048454900000000, -0.0004319000000000 ] - [ 0.0004479100000000, -0.0007232200000000, 0.0000527900000000 ] - [ -0.0010396800000000, 0.0007443700000000, 0.0003191500000000 ] - [ -0.0000097300000000, -0.0028569600000000, 0.0000262400000000 ] - [ -0.0070526900000000, -0.0021557100000000, 0.0116128300000000 ] - [ -0.0001230100000000, 0.0000455500000000, 0.0000490000000000 ] - [ -0.0000587800000000, -0.0001146200000000, 0.0006628200000000 ] - [ -0.0002943400000000, -0.0026681300000000, 0.0012408800000000 ] - [ -0.0028882200000000, 0.0009076400000000, 0.0084841100000000 ] - [ -0.0000224700000000, 0.0001243600000000, 0.0001800100000000 ] - [ -0.0014463300000000, -0.0006345800000000, 0.0039164600000000 ] - [ -0.0000160900000000, -0.0001008300000000, 0.0001013500000000 ] - [ -0.0000622500000000, -0.0000576700000000, -0.0001581900000000 ] - [ -0.0010289300000000, -0.0001377700000000, 0.0024186200000000 ] - [ -0.0008065600000000, -0.0028268900000000, 0.0010088100000000 ] - [ -0.0004894000000000, -0.0001208700000000, 0.0003151000000000 ] - [ -0.0049731500000000, 0.0011315400000000, 0.0080562900000000 ] - [ -0.0000396200000000, 0.0001109100000000, 0.0000295300000000 ] - [ -0.0001275300000000, -0.0032967000000000, 0.0004036100000000 ] - [ 0.0001662800000000, 0.0006593700000000, 0.0008047900000000 ] - [ -0.0064267400000000, -0.0023898200000000, 0.0112437300000000 ] - [ -0.0000208700000000, 0.0001609500000000, -0.0000065500000000 ] - [ -0.0000843800000000, -0.0006948300000000, -0.0002297200000000 ] - [ 0.0003691100000000, 0.0059637100000000, 0.0008222300000000 ] - [ -0.0065797100000000, 0.0021326600000000, 0.0071032100000000 ] - [ -0.0000300400000000, -0.0001738800000000, -0.0000309700000000 ] - [ 0.0046657000000000, -0.0018829600000000, 0.0000356600000000 ] - [ -0.0001313700000000, 0.0000265700000000, -0.0000345500000000 ] - [ -0.0001276100000000, -0.0001396300000000, -0.0001853400000000 ] - [ -0.0062640900000000, 0.0026696000000000, -0.0031739500000000 ] - [ 0.0001388700000000, -0.0000315200000000, 0.0001835300000000 ] - [ 0.0039495900000000, -0.0008514000000000, 0.0011737800000000 ] - [ 0.0022086900000000, -0.0022846500000000, -0.0028113300000000 ] - [ 0.0002433800000000, 0.0001367000000000, 0.0000147900000000 ] - [ 0.0002352200000000, -0.0003516400000000, -0.0000308200000000 ] - [ 0.0010235900000000, 0.0005262300000000, 0.0005029300000000 ] - [ 0.0052963200000000, 0.0020506600000000, 0.0001074900000000 ] - [ 0.0000746400000000, -0.0001039700000000, 0.0000401800000000 ] - [ 0.0007891000000000, -0.0007105700000000, -0.0011362000000000 ] - [ 0.0003664500000000, 0.0003983800000000, -0.0003814200000000 ] - [ 0.0031539200000000, -0.0021615700000000, -0.0039189100000000 ] - [ 0.0000728700000000, 0.0001782100000000, 0.0000275400000000 ] - [ 0.0003905300000000, -0.0000513800000000, 0.0005942100000000 ] - [ 0.0001463100000000, -0.0002753400000000, 0.0000907600000000 ] - [ -0.0001891400000000, 0.0005827900000000, 0.0010388300000000 ] - [ 0.0000015100000000, 0.0000131200000000, 0.0000375100000000 ] - [ 0.0001644000000000, -0.0000430700000000, 0.0000521300000000 ] - [ 0.0024585100000000, 0.0027018900000000, -0.0067653500000000 ] - [ 0.0028202100000000, 0.0015879700000000, -0.0059586100000000 ] - [ 0.0000562800000000, -0.0000833900000000, -0.0001750000000000 ] - [ -0.0014418000000000, 0.0002951500000000, 0.0001442300000000 ] - [ -0.0000240200000000, 0.0000404100000000, -0.0001246400000000 ] - [ -0.0001834700000000, -0.0002113000000000, -0.0002472100000000 ] - [ -0.0009334100000000, 0.0002309000000000, -0.0001423100000000 ] - [ 0.0002349700000000, 0.0006008800000000, -0.0006834400000000 ] - [ 0.0005751400000000, -0.0007978100000000, -0.0008122000000000 ] - [ 0.0017298900000000, -0.0025599400000000, -0.0056444200000000 ] - [ 0.0000975200000000, 0.0000743600000000, -0.0000576500000000 ] - [ -0.0009328400000000, 0.0005965700000000, -0.0005681800000000 ] - [ -0.0002907900000000, -0.0004910500000000, -0.0004145600000000 ] - [ -0.0028301500000000, 0.0017196800000000, -0.0049608300000000 ] - [ -0.0000309500000000, -0.0000353000000000, 0.0000419100000000 ] - [ -0.0023853800000000, -0.0009392500000000, -0.0026808400000000 ] - [ -0.0002964500000000, -0.0000117200000000, -0.0000635800000000 ] - [ -0.0024458900000000, -0.0009817200000000, -0.0024865300000000 ] - [ 0.0000206900000000, 0.0000493700000000, -0.0000650700000000 ]- atom: 3 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0010435900000000, 0.0000233600000000, 0.0019271300000000 ] - [ -0.0011061500000000, 0.0000336000000000, 0.0019993800000000 ] - [ -0.0626275500000000, -0.0153040400000000, 0.1203831200000000 ] - [ -0.0000700000000000, -0.0000356200000000, 0.0001401100000000 ] - [ 0.0003149400000000, 0.0000209400000000, -0.0007115300000000 ] - [ 0.0002668900000000, 0.0000171800000000, -0.0007039000000000 ] - [ 0.0015743400000000, 0.0000244900000000, -0.0035395900000000 ] - [ 0.0000446100000000, -0.0000354300000000, -0.0000935400000000 ] - [ 0.0089908800000000, 0.0130059000000000, -0.0038192100000000 ] - [ 0.0000486800000000, -0.0004063400000000, -0.0001417800000000 ] - [ -0.0063285400000000, -0.0022709900000000, -0.0377345700000000 ] - [ -0.0000221800000000, 0.0001550300000000, -0.0000132100000000 ] - [ -0.0057367700000000, -0.0057333800000000, 0.0008885400000000 ] - [ -0.0004133700000000, 0.0002101100000000, 0.0000862400000000 ] - [ 0.0006624500000000, -0.0015447000000000, -0.0006901600000000 ] - [ 0.0018663200000000, 0.0017382600000000, 0.0003716600000000 ] - [ 0.0301741000000000, -0.0035202500000000, -0.0121411500000000 ] - [ 0.0000454500000000, -0.0001730000000000, 0.0000157500000000 ] - [ -0.0009949300000000, -0.0005059600000000, 0.0007234200000000 ] - [ -0.0003329500000000, -0.0003671000000000, 0.0013032500000000 ] - [ -0.0069654700000000, 0.0056444800000000, 0.0096625100000000 ] - [ -0.0000464100000000, -0.0001271300000000, 0.0000585700000000 ] - [ 0.0042844500000000, -0.0028432800000000, -0.0044160100000000 ] - [ 0.0004157700000000, 0.0003630100000000, -0.0001702400000000 ] - [ -0.0043865000000000, 0.0026385900000000, -0.0008552000000000 ] - [ -0.0000916300000000, -0.0002875000000000, -0.0000091600000000 ] - [ 0.0000367800000000, -0.0000296500000000, -0.0000250000000000 ] - [ 0.0000233800000000, -0.0000559100000000, -0.0010178100000000 ] - [ 0.0063243100000000, -0.0083710000000000, -0.0007036600000000 ] - [ 0.0001526300000000, 0.0001843900000000, 0.0003582300000000 ] - [ 0.0038695400000000, -0.0093908900000000, 0.0077839000000000 ] - [ 0.0001795500000000, 0.0002422300000000, 0.0007047100000000 ] - [ -0.0023805300000000, -0.0086718000000000, -0.0054938700000000 ] - [ -0.0004635100000000, 0.0003417900000000, 0.0000120000000000 ] - [ 0.0038737200000000, 0.0031661300000000, 0.0036922200000000 ] - [ 0.0000936900000000, -0.0002678300000000, 0.0000995600000000 ] - [ -0.0035717700000000, 0.0184725800000000, -0.0120548100000000 ] - [ 0.0000620100000000, -0.0004679800000000, -0.0002328900000000 ] - [ 0.0047622800000000, 0.0000171400000000, 0.0026440100000000 ] - [ 0.0004338200000000, 0.0000148300000000, 0.0000085200000000 ] - [ 0.0029393700000000, -0.0025840100000000, -0.0075804600000000 ] - [ 0.0000310600000000, 0.0003414600000000, -0.0007422700000000 ] - [ -0.0044866000000000, -0.0003126200000000, -0.0031857100000000 ] - [ -0.0001717800000000, -0.0001074200000000, -0.0003455700000000 ] - [ -0.0016215300000000, 0.0022290400000000, -0.0016047400000000 ] - [ 0.0005146300000000, -0.0015159600000000, -0.0009712000000000 ] - [ -0.0024114900000000, 0.0016160200000000, 0.0019969100000000 ] - [ -0.0002587500000000, -0.0000619400000000, -0.0000511500000000 ] - [ -0.0045332700000000, -0.0022487100000000, -0.0034856100000000 ] - [ 0.0000170600000000, 0.0001244700000000, -0.0001445700000000 ] - [ 0.0161433100000000, 0.0144425500000000, -0.0331496800000000 ] - [ 0.0000259600000000, 0.0001555000000000, -0.0000967600000000 ] - [ 0.0011343300000000, -0.0049002800000000, 0.0003843500000000 ] - [ -0.0001910500000000, 0.0006589600000000, -0.0000941200000000 ] - [ 0.0008271200000000, -0.0007303400000000, -0.0003354800000000 ] - [ -0.0002028700000000, 0.0028771600000000, -0.0000431500000000 ] - [ 0.0070156400000000, 0.0022275800000000, -0.0113499600000000 ] - [ -0.0000278400000000, -0.0000886500000000, -0.0000468300000000 ] - [ -0.0000212100000000, -0.0000598800000000, -0.0004693800000000 ] - [ 0.0002146600000000, 0.0025081800000000, -0.0010490600000000 ] - [ 0.0027149000000000, -0.0006340800000000, -0.0082225600000000 ] - [ -0.0000247600000000, 0.0000725600000000, 0.0000572300000000 ] - [ 0.0015474900000000, 0.0005394800000000, -0.0041423300000000 ] - [ 0.0001191000000000, 0.0000042300000000, -0.0003296400000000 ] - [ 0.0000324000000000, 0.0000889300000000, -0.0004665500000000 ] - [ 0.0010002600000000, 0.0001680700000000, -0.0030554700000000 ] - [ 0.0008496100000000, 0.0024433500000000, -0.0009493800000000 ] - [ 0.0005331100000000, -0.0002523800000000, -0.0002559600000000 ] - [ 0.0049147300000000, -0.0011269300000000, -0.0082439900000000 ] - [ 0.0000768400000000, 0.0000152600000000, -0.0000405100000000 ] - [ 0.0001047000000000, 0.0032189800000000, -0.0003678600000000 ] - [ -0.0001904100000000, -0.0007355600000000, -0.0007686400000000 ] - [ 0.0067289400000000, 0.0024076800000000, -0.0114297800000000 ] - [ -0.0000327800000000, 0.0000303200000000, -0.0001367300000000 ] - [ 0.0001665600000000, 0.0007182000000000, 0.0001802200000000 ] - [ -0.0002897900000000, -0.0059646600000000, -0.0008741900000000 ] - [ 0.0071619400000000, -0.0015467400000000, -0.0081841300000000 ] - [ -0.0000478200000000, 0.0001133200000000, -0.0000573700000000 ] - [ -0.0052625900000000, 0.0018448200000000, -0.0001681400000000 ] - [ -0.0004847400000000, -0.0000560600000000, -0.0000988200000000 ] - [ 0.0001696400000000, 0.0001098700000000, -0.0000106800000000 ] - [ 0.0063365500000000, -0.0027130000000000, 0.0029907000000000 ] - [ -0.0001820000000000, 0.0000021200000000, 0.0000138500000000 ] - [ -0.0040186400000000, 0.0008332100000000, -0.0009791500000000 ] - [ -0.0015804100000000, 0.0022689700000000, 0.0029492100000000 ] - [ 0.0003716600000000, -0.0001659400000000, 0.0001189000000000 ] - [ -0.0003183000000000, 0.0003756100000000, 0.0000795200000000 ] - [ -0.0011096200000000, -0.0005026500000000, -0.0004560300000000 ] - [ -0.0052337500000000, -0.0021146900000000, -0.0000248400000000 ] - [ 0.0000041300000000, 0.0000434500000000, 0.0000472100000000 ] - [ -0.0007666800000000, 0.0006425500000000, 0.0010952400000000 ] - [ -0.0003427700000000, -0.0004732900000000, 0.0003417500000000 ] - [ -0.0031136100000000, 0.0023670000000000, 0.0040650300000000 ] - [ -0.0000215700000000, 0.0000132500000000, 0.0001174900000000 ] - [ -0.0004336800000000, -0.0003236700000000, -0.0006529800000000 ] - [ -0.0001911700000000, -0.0000981700000000, -0.0001513100000000 ] - [ 0.0001430300000000, -0.0004589200000000, -0.0010295900000000 ] - [ -0.0000376100000000, 0.0001130700000000, -0.0000261600000000 ] - [ -0.0001345900000000, 0.0000740700000000, 0.0005728400000000 ] - [ -0.0024319000000000, -0.0026709500000000, 0.0073945800000000 ] - [ -0.0029356400000000, -0.0016877000000000, 0.0062006300000000 ] - [ -0.0001591400000000, -0.0000135500000000, 0.0004044600000000 ] - [ 0.0014875400000000, -0.0000903900000000, -0.0003901900000000 ] - [ 0.0000713200000000, 0.0001565200000000, -0.0001130400000000 ] - [ 0.0002619600000000, 0.0000357400000000, 0.0000561600000000 ] - [ 0.0010141000000000, -0.0004043300000000, -0.0000500800000000 ] - [ -0.0000259300000000, -0.0005870000000000, 0.0007009900000000 ] - [ -0.0003693700000000, 0.0008060100000000, 0.0008322000000000 ] - [ -0.0015905800000000, 0.0025087900000000, 0.0056276900000000 ] - [ 0.0000534900000000, -0.0001172600000000, 0.0000556400000000 ] - [ 0.0006725200000000, -0.0006624500000000, 0.0006116000000000 ] - [ 0.0000320500000000, 0.0004251900000000, 0.0004600400000000 ] - [ 0.0027966400000000, -0.0016319400000000, 0.0051078200000000 ] - [ 0.0000065600000000, 0.0001189300000000, 0.0001128000000000 ] - [ 0.0021021300000000, 0.0009156600000000, 0.0027571400000000 ] - [ 0.0000182700000000, -0.0000010800000000, 0.0001582200000000 ] - [ 0.0027293700000000, 0.0010593800000000, 0.0025333300000000 ] - [ 0.0002528000000000, 0.0000234400000000, 0.0001025200000000 ]- atom: 9 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0026868900000000, -0.0057564700000000, -0.0097212300000000 ] - [ -0.0000847800000000, 0.0001287700000000, -0.0002189100000000 ] - [ 0.0033737100000000, 0.0058509200000000, -0.0086020300000000 ] - [ -0.0001574500000000, -0.0001410200000000, -0.0003269500000000 ] - [ -0.0003199300000000, 0.0020635800000000, 0.0054341800000000 ] - [ 0.0000477400000000, -0.0000051300000000, 0.0002173400000000 ] - [ -0.0004789100000000, -0.0018309300000000, 0.0049808500000000 ] - [ 0.0000769900000000, -0.0000375300000000, 0.0003404600000000 ] - [ -0.2890927300000000, -0.0343833900000000, -0.0121491900000000 ] - [ -0.0003624100000000, 0.0000001600000000, -0.0000653000000000 ] - [ 0.0089115700000000, 0.0153303500000000, 0.0107056500000000 ] - [ -0.0001097100000000, -0.0003279400000000, 0.0001084200000000 ] - [ 0.0021464200000000, 0.0020262500000000, 0.0001795600000000 ] - [ 0.0027113300000000, -0.0027172200000000, -0.0000296000000000 ] - [ 0.0024182300000000, 0.0017158100000000, -0.0025474200000000 ] - [ 0.0001371200000000, -0.0003566600000000, -0.0000328000000000 ] - [ 0.0024235300000000, -0.0019863100000000, -0.0025534500000000 ] - [ 0.0001376800000000, 0.0000528600000000, -0.0000277800000000 ] - [ -0.0057390700000000, 0.0068215600000000, 0.0035781600000000 ] - [ -0.0000857100000000, -0.0000356100000000, -0.0000320000000000 ] - [ -0.0058470800000000, -0.0061849300000000, 0.0023776400000000 ] - [ -0.0000694100000000, 0.0000434900000000, 0.0000330300000000 ] - [ -0.0019402400000000, 0.0010407400000000, 0.0001083100000000 ] - [ -0.0026664800000000, -0.0016658100000000, 0.0000212400000000 ] - [ 0.0088364400000000, 0.0004001000000000, 0.0039903400000000 ] - [ 0.0003316500000000, -0.0000102200000000, 0.0000889100000000 ] - [ 0.0001589100000000, 0.0003536200000000, -0.0000725100000000 ] - [ 0.0001034500000000, -0.0003464600000000, -0.0000443900000000 ] - [ -0.0015274700000000, 0.0000238300000000, 0.0003312400000000 ] - [ -0.0013748900000000, 0.0004631100000000, 0.0000898900000000 ] - [ 0.0138191000000000, -0.0000129700000000, -0.0051057400000000 ] - [ 0.0001257200000000, -0.0000454500000000, 0.0002587800000000 ] - [ 0.0022204300000000, -0.0001436800000000, -0.0019626000000000 ] - [ -0.0002266300000000, 0.0001229800000000, 0.0001266400000000 ] - [ 0.0003253900000000, -0.0016090200000000, -0.0007730300000000 ] - [ 0.0005492500000000, 0.0015938100000000, -0.0008134400000000 ] - [ 0.0001569400000000, -0.0003905700000000, -0.0001672600000000 ] - [ 0.0001127700000000, 0.0004130700000000, -0.0001466300000000 ] - [ 0.0264165200000000, -0.0005188300000000, 0.0285699700000000 ] - [ 0.0002336800000000, 0.0001242400000000, -0.0001597500000000 ] - [ 0.0019004100000000, 0.0001177900000000, -0.0152335400000000 ] - [ -0.0000651200000000, -0.0000468800000000, -0.0002727800000000 ] - [ 0.0000552000000000, -0.0004137700000000, 0.0002422500000000 ] - [ 0.0000747000000000, 0.0004402600000000, 0.0004621400000000 ] - [ 0.0130835800000000, -0.0192284400000000, 0.0160812400000000 ] - [ -0.0001558300000000, 0.0004699000000000, 0.0001740900000000 ] - [ 0.0009232100000000, 0.0001167900000000, 0.0000662700000000 ] - [ 0.0010026500000000, -0.0001141300000000, 0.0002841000000000 ] - [ 0.0997957100000000, 0.0067176200000000, 0.0756241600000000 ] - [ 0.0002171600000000, 0.0000009500000000, 0.0000202000000000 ] - [ 0.0740398700000000, 0.0743960200000000, -0.0156504100000000 ] - [ 0.0001757400000000, 0.0002000100000000, 0.0000132400000000 ] - [ 0.0486981200000000, -0.0455448600000000, -0.0072495100000000 ] - [ 0.0002717400000000, -0.0001660700000000, 0.0000535500000000 ] - [ -0.0062310700000000, 0.0059676800000000, 0.0001128800000000 ] - [ -0.0001007200000000, -0.0008102100000000, -0.0000602000000000 ] - [ -0.0044282200000000, -0.0044862300000000, 0.0002109600000000 ] - [ -0.0001325900000000, 0.0010113400000000, 0.0001141100000000 ] - [ 0.0032574800000000, -0.0003810700000000, 0.0022027500000000 ] - [ 0.0001918700000000, -0.0000815700000000, 0.0000898800000000 ] - [ 0.0032184300000000, -0.0004621200000000, 0.0023366600000000 ] - [ 0.0002221100000000, -0.0000740300000000, 0.0001015700000000 ] - [ -0.0058484200000000, -0.0001533900000000, 0.0020669300000000 ] - [ -0.0000092500000000, -0.0000324400000000, -0.0000574000000000 ] - [ -0.0012244900000000, 0.0000033400000000, 0.0004832100000000 ] - [ -0.0010586900000000, 0.0000252300000000, 0.0003498200000000 ] - [ 0.0028353200000000, -0.0009974500000000, 0.0017946500000000 ] - [ 0.0000410800000000, -0.0001464200000000, 0.0000479500000000 ] - [ 0.0023452700000000, 0.0011366400000000, 0.0022358800000000 ] - [ 0.0000462900000000, 0.0000166300000000, 0.0000057400000000 ] - [ -0.0047683500000000, -0.0004836000000000, 0.0027392300000000 ] - [ -0.0000707800000000, -0.0000025700000000, 0.0001135900000000 ] - [ -0.0047509000000000, 0.0004808800000000, 0.0025174700000000 ] - [ -0.0000988000000000, 0.0001101300000000, 0.0000303600000000 ] - [ -0.0005063600000000, -0.0002570300000000, 0.0010249700000000 ] - [ -0.0000054600000000, 0.0001514700000000, 0.0001469300000000 ] - [ -0.0006545300000000, 0.0002799900000000, 0.0009705600000000 ] - [ -0.0000662500000000, -0.0001731900000000, 0.0001214600000000 ] - [ -0.0133420600000000, 0.0000503300000000, -0.0004263100000000 ] - [ -0.0003742000000000, -0.0000064500000000, -0.0000328300000000 ] - [ 0.0000469600000000, -0.0002096400000000, -0.0001312300000000 ] - [ 0.0000341800000000, 0.0001621900000000, -0.0000702300000000 ] - [ 0.0004087700000000, -0.0006018200000000, 0.0002331500000000 ] - [ 0.0005818200000000, 0.0004516700000000, 0.0002309300000000 ] - [ -0.0030327000000000, -0.0000228900000000, 0.0031598400000000 ] - [ 0.0003299900000000, -0.0000064600000000, 0.0000522100000000 ] - [ -0.0005613100000000, -0.0018060200000000, 0.0002867600000000 ] - [ -0.0001377700000000, 0.0004905100000000, -0.0000565700000000 ] - [ -0.0005024300000000, 0.0017701400000000, 0.0003787000000000 ] - [ -0.0001013300000000, -0.0005190600000000, -0.0000397500000000 ] - [ 0.0007743400000000, -0.0041432900000000, 0.0046632900000000 ] - [ 0.0000163600000000, 0.0000353000000000, -0.0001096400000000 ] - [ 0.0007880400000000, 0.0040828900000000, 0.0048299600000000 ] - [ 0.0000435900000000, 0.0000756300000000, -0.0000229100000000 ] - [ -0.0027276400000000, -0.0074372600000000, -0.0109599300000000 ] - [ -0.0000136500000000, -0.0001157600000000, -0.0000289500000000 ] - [ -0.0022401500000000, 0.0078389400000000, -0.0104010200000000 ] - [ -0.0000163300000000, -0.0000042100000000, -0.0000084100000000 ] - [ 0.0005581700000000, -0.0001760100000000, 0.0002288000000000 ] - [ 0.0004516500000000, 0.0001508900000000, 0.0002858500000000 ] - [ 0.0357894000000000, 0.0005958100000000, -0.0529520500000000 ] - [ 0.0000071500000000, -0.0000332900000000, 0.0000456500000000 ] - [ 0.0003649200000000, 0.0012900800000000, -0.0015817200000000 ] - [ -0.0000150000000000, -0.0000972000000000, -0.0002308600000000 ] - [ 0.0002837800000000, -0.0014173600000000, -0.0017935300000000 ] - [ 0.0000043800000000, 0.0001118800000000, -0.0001577500000000 ] - [ 0.0020304300000000, 0.0044112900000000, -0.0057905200000000 ] - [ 0.0002333700000000, -0.0004265400000000, -0.0000352500000000 ] - [ 0.0014904600000000, -0.0026505000000000, -0.0039036100000000 ] - [ 0.0002545400000000, 0.0007018200000000, -0.0001183500000000 ] - [ -0.0041791500000000, 0.0008521700000000, -0.0068742200000000 ] - [ -0.0002009800000000, -0.0001352600000000, -0.0001171500000000 ] - [ -0.0034478200000000, -0.0013235400000000, -0.0065118400000000 ] - [ -0.0001135100000000, 0.0001799000000000, -0.0000517200000000 ] - [ -0.0024313200000000, 0.0000821800000000, -0.0011312100000000 ] - [ -0.0002001100000000, 0.0000048800000000, -0.0000122400000000 ] - [ -0.0006587600000000, -0.0001076100000000, -0.0005121400000000 ] - [ -0.0007946800000000, 0.0002513400000000, -0.0006367500000000 ]- atom: 9 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0027328200000000, 0.0057743400000000, 0.0098363700000000 ] - [ 0.0000579100000000, -0.0000771300000000, 0.0003355800000000 ] - [ -0.0034185000000000, -0.0058600400000000, 0.0086313400000000 ] - [ 0.0001322000000000, 0.0000964000000000, 0.0003593200000000 ] - [ 0.0003402800000000, -0.0020220000000000, -0.0055552200000000 ] - [ -0.0000134000000000, 0.0000516800000000, -0.0003466800000000 ] - [ 0.0004778500000000, 0.0017965900000000, -0.0049903300000000 ] - [ -0.0000611300000000, -0.0000048800000000, -0.0003591400000000 ] - [ 0.2898006900000000, 0.0338966900000000, 0.0171941600000000 ] - [ 0.0000070900000000, 0.0000266900000000, -0.0000200500000000 ] - [ -0.0089579200000000, -0.0148600900000000, -0.0107186000000000 ] - [ 0.0001093300000000, 0.0006801200000000, -0.0001085000000000 ] - [ -0.0023169400000000, -0.0020037300000000, -0.0002004900000000 ] - [ -0.0028869800000000, 0.0027397700000000, 0.0000117600000000 ] - [ -0.0024126900000000, -0.0020187900000000, 0.0025257300000000 ] - [ -0.0001376700000000, 0.0000597900000000, 0.0000333400000000 ] - [ -0.0024193500000000, 0.0017042700000000, 0.0025324500000000 ] - [ -0.0001378800000000, -0.0003392800000000, 0.0000272900000000 ] - [ 0.0057429100000000, -0.0066412700000000, -0.0035600400000000 ] - [ 0.0000866500000000, 0.0002101700000000, 0.0000331200000000 ] - [ 0.0058576100000000, 0.0059704900000000, -0.0023565200000000 ] - [ 0.0000690800000000, -0.0002524800000000, -0.0000321300000000 ] - [ 0.0021115000000000, -0.0010265100000000, -0.0000904800000000 ] - [ 0.0028416000000000, 0.0016916300000000, -0.0000049600000000 ] - [ -0.0084442400000000, -0.0003812300000000, -0.0038555100000000 ] - [ 0.0000243100000000, 0.0000374200000000, -0.0000032900000000 ] - [ -0.0001587400000000, -0.0004057400000000, 0.0000734700000000 ] - [ -0.0001026600000000, 0.0002949600000000, 0.0000454500000000 ] - [ 0.0015801300000000, -0.0000121300000000, 0.0000716700000000 ] - [ 0.0014256900000000, -0.0004374000000000, 0.0003118300000000 ] - [ -0.0137840500000000, -0.0000063300000000, 0.0057339100000000 ] - [ -0.0000952600000000, 0.0000269000000000, 0.0004238000000000 ] - [ -0.0026685900000000, 0.0003920100000000, 0.0021775900000000 ] - [ -0.0002335700000000, 0.0001247800000000, 0.0000611200000000 ] - [ -0.0005099500000000, 0.0016586300000000, 0.0005824000000000 ] - [ -0.0007305400000000, -0.0015490900000000, 0.0006165300000000 ] - [ 0.0000313200000000, 0.0004374800000000, 0.0003575700000000 ] - [ 0.0000713200000000, -0.0003674400000000, 0.0003424300000000 ] - [ -0.0260274900000000, 0.0007467600000000, -0.0289773800000000 ] - [ 0.0002263800000000, 0.0001244900000000, -0.0000282400000000 ] - [ -0.0018959200000000, -0.0001389500000000, 0.0145584300000000 ] - [ 0.0000341500000000, 0.0000291100000000, -0.0004108100000000 ] - [ -0.0001000700000000, 0.0004380400000000, -0.0006454100000000 ] - [ -0.0001191200000000, -0.0004235800000000, -0.0008647200000000 ] - [ -0.0131232800000000, 0.0191240100000000, -0.0161109100000000 ] - [ 0.0001552300000000, -0.0004348200000000, -0.0001750600000000 ] - [ -0.0012113200000000, -0.0000416700000000, -0.0000826100000000 ] - [ -0.0012938600000000, 0.0001862600000000, -0.0003007600000000 ] - [ -0.1032484000000000, -0.0070971400000000, -0.0803173200000000 ] - [ 0.0000614000000000, -0.0000105700000000, -0.0001013800000000 ] - [ -0.0726342800000000, -0.0711827200000000, 0.0148375400000000 ] - [ -0.0001506600000000, -0.0001201400000000, -0.0001646700000000 ] - [ -0.0474301900000000, 0.0432943600000000, 0.0069492200000000 ] - [ -0.0000170800000000, 0.0001094000000000, -0.0000913300000000 ] - [ 0.0060708000000000, -0.0059826000000000, -0.0001191200000000 ] - [ -0.0001104500000000, 0.0008276100000000, 0.0000443900000000 ] - [ 0.0043135700000000, 0.0044564900000000, -0.0001976100000000 ] - [ -0.0000199000000000, -0.0010601900000000, -0.0001097600000000 ] - [ -0.0033392600000000, 0.0002022800000000, -0.0020127000000000 ] - [ -0.0002699600000000, -0.0000881500000000, 0.0001034000000000 ] - [ -0.0032755100000000, 0.0006663100000000, -0.0021089800000000 ] - [ -0.0002728100000000, 0.0002689200000000, 0.0001309500000000 ] - [ 0.0059508700000000, 0.0000615700000000, -0.0022691300000000 ] - [ 0.0001255800000000, -0.0000605500000000, -0.0001561900000000 ] - [ 0.0011985500000000, 0.0000265400000000, -0.0011109200000000 ] - [ 0.0010315200000000, 0.0000015200000000, -0.0009855800000000 ] - [ -0.0027818600000000, 0.0006324600000000, -0.0017477200000000 ] - [ 0.0000052700000000, -0.0002199300000000, 0.0000094000000000 ] - [ -0.0023024800000000, -0.0010155800000000, -0.0022626700000000 ] - [ -0.0000072600000000, 0.0001053200000000, -0.0000198900000000 ] - [ 0.0047435800000000, 0.0004375200000000, -0.0026704700000000 ] - [ 0.0000488800000000, -0.0000614700000000, -0.0000652300000000 ] - [ 0.0047007000000000, -0.0003133800000000, -0.0026348700000000 ] - [ 0.0000512000000000, 0.0000739100000000, -0.0001686100000000 ] - [ 0.0005879300000000, 0.0002887200000000, -0.0010682200000000 ] - [ 0.0000851100000000, -0.0001233100000000, -0.0001945000000000 ] - [ 0.0005794800000000, -0.0003502100000000, -0.0010564200000000 ] - [ -0.0000093200000000, 0.0001056300000000, -0.0002091100000000 ] - [ 0.0127113800000000, -0.0000742400000000, 0.0003322900000000 ] - [ -0.0002400300000000, -0.0000199500000000, -0.0000896100000000 ] - [ -0.0000073500000000, 0.0001785800000000, -0.0000693600000000 ] - [ 0.0000059400000000, -0.0001944700000000, -0.0001310100000000 ] - [ -0.0004522100000000, 0.0005704600000000, -0.0000329400000000 ] - [ -0.0006273300000000, -0.0004828500000000, -0.0000303100000000 ] - [ 0.0036166900000000, -0.0000025400000000, -0.0030224400000000 ] - [ 0.0002839300000000, -0.0000193600000000, 0.0000698500000000 ] - [ 0.0004804900000000, 0.0018330600000000, -0.0002355500000000 ] - [ 0.0000578300000000, -0.0004629600000000, 0.0001047000000000 ] - [ 0.0005806700000000, -0.0018377800000000, -0.0002875600000000 ] - [ 0.0001784800000000, 0.0004510300000000, 0.0001259900000000 ] - [ -0.0007426500000000, 0.0040601500000000, -0.0046749800000000 ] - [ 0.0000079300000000, -0.0000992500000000, 0.0000588800000000 ] - [ -0.0007310100000000, -0.0038780700000000, -0.0046543100000000 ] - [ 0.0000023800000000, 0.0001088600000000, 0.0001624400000000 ] - [ 0.0026676800000000, 0.0070543700000000, 0.0108756000000000 ] - [ -0.0000339600000000, -0.0002511900000000, -0.0000287900000000 ] - [ 0.0021926500000000, -0.0077030200000000, 0.0104018600000000 ] - [ -0.0000210700000000, 0.0001260800000000, 0.0000222200000000 ] - [ -0.0005314900000000, 0.0002040300000000, 0.0003990000000000 ] - [ -0.0004237100000000, -0.0001240000000000, 0.0003506000000000 ] - [ -0.0355659900000000, -0.0006976000000000, 0.0537186600000000 ] - [ -0.0001230500000000, -0.0000596600000000, 0.0001680900000000 ] - [ -0.0003158300000000, -0.0010972100000000, 0.0013410500000000 ] - [ 0.0000661200000000, 0.0002949700000000, -0.0000036200000000 ] - [ -0.0002062700000000, 0.0012460000000000, 0.0015973800000000 ] - [ 0.0000731800000000, -0.0002866900000000, -0.0000354100000000 ] - [ -0.0018095500000000, -0.0043944900000000, 0.0058158000000000 ] - [ -0.0000234000000000, 0.0004433700000000, 0.0000506400000000 ] - [ -0.0013253900000000, 0.0026052200000000, 0.0039097700000000 ] - [ -0.0001009400000000, -0.0007497800000000, 0.0001133700000000 ] - [ 0.0039338100000000, -0.0008729800000000, 0.0069022600000000 ] - [ -0.0000527800000000, 0.0000779300000000, 0.0001565900000000 ] - [ 0.0034208500000000, 0.0013698100000000, 0.0066349900000000 ] - [ 0.0000882900000000, -0.0000994000000000, 0.0002031500000000 ] - [ 0.0021409200000000, -0.0000897300000000, 0.0011876800000000 ] - [ -0.0000781600000000, -0.0000151800000000, 0.0000930700000000 ] - [ 0.0009440400000000, 0.0001790600000000, 0.0005319700000000 ] - [ 0.0010846000000000, -0.0001781000000000, 0.0006566400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0068605700000000, 0.0040506600000000, 0.0121835000000000 ] - [ 0.0002576700000000, 0.0023488000000000, -0.0002561400000000 ] - [ 0.0070248600000000, 0.0055628500000000, -0.0109753200000000 ] - [ -0.0001717000000000, 0.0023388200000000, 0.0004090100000000 ] - [ 0.0000788000000000, -0.0020277800000000, -0.0038249700000000 ] - [ 0.0000229400000000, 0.0021550000000000, 0.0002638600000000 ] - [ 0.0001486800000000, -0.0019917700000000, 0.0030989700000000 ] - [ -0.0000841600000000, 0.0021654700000000, -0.0004083000000000 ] - [ -0.0392540100000000, -0.2657092200000000, 0.0087990500000000 ] - [ -0.0001926100000000, 0.0033451800000000, -0.0000577200000000 ] - [ 0.0177403800000000, 0.0157944800000000, 0.0149544600000000 ] - [ -0.0001052000000000, 0.0037221800000000, -0.0000747100000000 ] - [ 0.0018070800000000, 0.0038028400000000, 0.0001743100000000 ] - [ -0.0026636800000000, 0.0044026000000000, 0.0000901300000000 ] - [ -0.0006811900000000, -0.0028960800000000, 0.0006824900000000 ] - [ 0.0000491200000000, 0.0029962600000000, 0.0000263400000000 ] - [ 0.0008757200000000, -0.0025363900000000, -0.0008615000000000 ] - [ -0.0000421100000000, 0.0029353700000000, -0.0000204200000000 ] - [ 0.0020958700000000, -0.0031857800000000, 0.0044490000000000 ] - [ -0.0001446100000000, 0.0036493700000000, -0.0005251000000000 ] - [ -0.0027334800000000, -0.0030241500000000, -0.0049261700000000 ] - [ 0.0001327600000000, 0.0034073500000000, 0.0004852600000000 ] - [ -0.0010222700000000, 0.0050401500000000, 0.0015149400000000 ] - [ 0.0018906200000000, 0.0054498400000000, -0.0015656200000000 ] - [ -0.0002142100000000, -0.0123786800000000, 0.0002235500000000 ] - [ 0.0002036400000000, 0.0031680700000000, 0.0000577300000000 ] - [ 0.0004956400000000, 0.0001625500000000, -0.0001835100000000 ] - [ -0.0005313300000000, 0.0002197700000000, 0.0002011400000000 ] - [ -0.0018445100000000, 0.0062038700000000, -0.0010202200000000 ] - [ 0.0018229300000000, 0.0059099000000000, 0.0015800900000000 ] - [ 0.0009416200000000, -0.0100903800000000, 0.0002053900000000 ] - [ -0.0000171100000000, 0.0035153600000000, 0.0003294500000000 ] - [ -0.0004117500000000, -0.0105499300000000, -0.0001124900000000 ] - [ -0.0002101600000000, 0.0037004600000000, 0.0000886200000000 ] - [ -0.0010463100000000, 0.0011026900000000, -0.0015887300000000 ] - [ 0.0007949800000000, 0.0011126300000000, 0.0015001900000000 ] - [ 0.0000385600000000, 0.0016650300000000, 0.0010433300000000 ] - [ 0.0001598200000000, 0.0015661600000000, -0.0009978300000000 ] - [ 0.0005841600000000, -0.0051065700000000, 0.0001535800000000 ] - [ 0.0001995100000000, 0.0036883300000000, -0.0001096100000000 ] - [ 0.0001229200000000, -0.0055985500000000, 0.0004155000000000 ] - [ 0.0000146700000000, 0.0035197300000000, -0.0003260200000000 ] - [ -0.0002354100000000, 0.0017455900000000, 0.0004326300000000 ] - [ 0.0001482500000000, 0.0017615300000000, -0.0010393800000000 ] - [ -0.0222464900000000, 0.0201787500000000, -0.0216706200000000 ] - [ 0.0001462900000000, 0.0041631100000000, 0.0000758100000000 ] - [ 0.0007125800000000, -0.0021253600000000, -0.0000392000000000 ] - [ -0.0011042100000000, -0.0020766600000000, -0.0001323000000000 ] - [ 0.0085318400000000, 0.0178673000000000, 0.0074425300000000 ] - [ 0.0001514000000000, -0.0014422400000000, -0.0000329900000000 ] - [ 0.0737570700000000, 0.1196527400000000, -0.0198057000000000 ] - [ -0.0006064400000000, -0.0024134100000000, -0.0001726200000000 ] - [ -0.0421897900000000, 0.0819278100000000, 0.0084533100000000 ] - [ 0.0008397700000000, -0.0024764100000000, 0.0002350100000000 ] - [ 0.0079423900000000, -0.0088298400000000, 0.0002047600000000 ] - [ 0.0004889100000000, -0.0028201200000000, -0.0002113500000000 ] - [ -0.0057719700000000, -0.0065055100000000, -0.0000320100000000 ] - [ -0.0004507900000000, -0.0030080100000000, -0.0001008400000000 ] - [ -0.0021786600000000, -0.0033240800000000, -0.0034842900000000 ] - [ -0.0003678500000000, -0.0031187100000000, 0.0011330600000000 ] - [ 0.0021115600000000, -0.0036394500000000, 0.0035282400000000 ] - [ 0.0002834200000000, -0.0028368700000000, -0.0009282800000000 ] - [ -0.0002002600000000, 0.0045987400000000, -0.0003250200000000 ] - [ 0.0000664300000000, -0.0014040400000000, -0.0000911700000000 ] - [ 0.0005865700000000, -0.0007323100000000, -0.0013035600000000 ] - [ -0.0004990900000000, -0.0008210100000000, 0.0005182100000000 ] - [ 0.0004267600000000, 0.0048956400000000, -0.0048740300000000 ] - [ -0.0003350800000000, -0.0025953900000000, 0.0007749300000000 ] - [ -0.0000512200000000, 0.0050320900000000, 0.0053612200000000 ] - [ 0.0003893500000000, -0.0023630600000000, -0.0007360600000000 ] - [ 0.0033246900000000, 0.0041586200000000, -0.0007754100000000 ] - [ -0.0004625800000000, -0.0022779300000000, -0.0004660000000000 ] - [ -0.0041417700000000, 0.0039443300000000, 0.0009721800000000 ] - [ 0.0004382100000000, -0.0021746400000000, 0.0004042600000000 ] - [ 0.0007697300000000, 0.0002396800000000, -0.0008093200000000 ] - [ -0.0002736700000000, -0.0017915100000000, -0.0005328700000000 ] - [ -0.0007373900000000, -0.0000286100000000, 0.0007853400000000 ] - [ 0.0002697500000000, -0.0017975400000000, 0.0004675200000000 ] - [ -0.0010505600000000, 0.0022960600000000, -0.0001186400000000 ] - [ -0.0002834900000000, -0.0012424300000000, -0.0000645400000000 ] - [ 0.0000644700000000, -0.0005992300000000, 0.0000010800000000 ] - [ 0.0000353000000000, -0.0006479100000000, -0.0001359400000000 ] - [ -0.0015835300000000, -0.0009997000000000, -0.0007543400000000 ] - [ 0.0016045700000000, -0.0010759300000000, 0.0009435400000000 ] - [ 0.0003532000000000, 0.0022871100000000, -0.0000189400000000 ] - [ 0.0002847600000000, -0.0012515600000000, 0.0000666100000000 ] - [ -0.0002716200000000, 0.0007935200000000, 0.0000916700000000 ] - [ 0.0003558900000000, -0.0016928100000000, 0.0006087600000000 ] - [ 0.0001586400000000, 0.0006229600000000, 0.0000207300000000 ] - [ -0.0003587200000000, -0.0017202600000000, -0.0005414500000000 ] - [ -0.0016642300000000, 0.0041952400000000, -0.0015949900000000 ] - [ 0.0004375800000000, -0.0022788600000000, 0.0004560600000000 ] - [ 0.0013817300000000, 0.0040764200000000, 0.0016048100000000 ] - [ -0.0004154300000000, -0.0021762100000000, -0.0004025900000000 ] - [ -0.0007942800000000, 0.0038487700000000, 0.0021610100000000 ] - [ 0.0003302700000000, -0.0024975700000000, -0.0005975700000000 ] - [ 0.0007172300000000, 0.0049637100000000, -0.0026716100000000 ] - [ -0.0003915900000000, -0.0022883800000000, 0.0005817800000000 ] - [ -0.0007560900000000, -0.0008424700000000, 0.0015776200000000 ] - [ 0.0006513900000000, -0.0009170300000000, -0.0007882700000000 ] - [ 0.0008622200000000, 0.0177986600000000, -0.0027925600000000 ] - [ -0.0000665700000000, -0.0014392900000000, 0.0000909300000000 ] - [ -0.0000035700000000, 0.0001954200000000, -0.0001599300000000 ] - [ -0.0002731300000000, -0.0016200200000000, 0.0003798300000000 ] - [ 0.0002550200000000, 0.0000312600000000, 0.0001918200000000 ] - [ 0.0003444300000000, -0.0018011500000000, -0.0005620500000000 ] - [ 0.0005113200000000, -0.0055437100000000, 0.0066906800000000 ] - [ -0.0007591900000000, -0.0028197200000000, 0.0000377000000000 ] - [ -0.0006751500000000, -0.0041611000000000, -0.0051544300000000 ] - [ 0.0007298500000000, -0.0029893400000000, 0.0002795900000000 ] - [ 0.0070704200000000, 0.0050813000000000, 0.0084421600000000 ] - [ -0.0009317800000000, -0.0024008700000000, -0.0003226000000000 ] - [ -0.0056830800000000, 0.0049105400000000, -0.0064084600000000 ] - [ 0.0006756400000000, -0.0023121800000000, 0.0002446400000000 ] - [ 0.0000232200000000, 0.0039331500000000, 0.0001084300000000 ] - [ -0.0001444700000000, -0.0013710100000000, 0.0000393900000000 ] - [ -0.0002638200000000, -0.0007233700000000, -0.0006940700000000 ] - [ 0.0007189100000000, -0.0007917000000000, 0.0008426400000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0068878000000000, -0.0040040500000000, -0.0120921600000000 ] - [ -0.0002803700000000, -0.0023000900000000, 0.0003720100000000 ] - [ -0.0069920500000000, -0.0056072400000000, 0.0109954200000000 ] - [ 0.0001494900000000, -0.0023843600000000, -0.0003759300000000 ] - [ -0.0000476500000000, 0.0020939000000000, 0.0037135100000000 ] - [ 0.0000115400000000, -0.0021128100000000, -0.0003903300000000 ] - [ -0.0001316500000000, 0.0019254600000000, -0.0031048100000000 ] - [ 0.0001008800000000, -0.0022083400000000, 0.0003904100000000 ] - [ 0.0290460900000000, 0.2647908500000000, -0.0068123100000000 ] - [ -0.0001676400000000, -0.0033141700000000, -0.0000257900000000 ] - [ -0.0175617000000000, -0.0154010200000000, -0.0149562500000000 ] - [ 0.0001086300000000, -0.0033795000000000, 0.0000727200000000 ] - [ -0.0019827600000000, -0.0037913700000000, -0.0001949100000000 ] - [ 0.0024891500000000, -0.0043748900000000, -0.0001097400000000 ] - [ 0.0006849300000000, 0.0026316700000000, -0.0006838800000000 ] - [ -0.0000497900000000, -0.0032883500000000, -0.0000244200000000 ] - [ -0.0008736200000000, 0.0022162000000000, 0.0008619800000000 ] - [ 0.0000420400000000, -0.0032283900000000, 0.0000212500000000 ] - [ -0.0021105500000000, 0.0034087200000000, -0.0044733500000000 ] - [ 0.0001439900000000, -0.0034688900000000, 0.0005206800000000 ] - [ 0.0027204900000000, 0.0027684800000000, 0.0048998100000000 ] - [ -0.0001345800000000, -0.0036243600000000, -0.0004897900000000 ] - [ 0.0011938900000000, -0.0050025300000000, -0.0014846200000000 ] - [ -0.0017189600000000, -0.0054505600000000, 0.0015974500000000 ] - [ 0.0005690800000000, 0.0124157200000000, -0.0001544900000000 ] - [ 0.0001576900000000, -0.0031369900000000, 0.0000258200000000 ] - [ -0.0005023900000000, -0.0002140100000000, 0.0001858100000000 ] - [ 0.0005244400000000, -0.0002711900000000, -0.0001987200000000 ] - [ 0.0018805100000000, -0.0061608600000000, 0.0014094700000000 ] - [ -0.0017885100000000, -0.0059192000000000, -0.0011900700000000 ] - [ -0.0008989200000000, 0.0100790900000000, 0.0004792000000000 ] - [ 0.0000514000000000, -0.0035309600000000, 0.0003591600000000 ] - [ -0.0000279000000000, 0.0108007300000000, 0.0002966400000000 ] - [ -0.0002475300000000, -0.0034504300000000, 0.0000899400000000 ] - [ 0.0008513600000000, -0.0010701800000000, 0.0013913900000000 ] - [ -0.0009891400000000, -0.0010571700000000, -0.0016978700000000 ] - [ 0.0001459000000000, -0.0016322900000000, -0.0008406900000000 ] - [ 0.0000238500000000, -0.0015125400000000, 0.0011996600000000 ] - [ -0.0001069200000000, 0.0053597700000000, -0.0003077100000000 ] - [ 0.0002568500000000, -0.0034374000000000, -0.0000704100000000 ] - [ -0.0001413100000000, 0.0055845100000000, -0.0011241500000000 ] - [ -0.0000501100000000, -0.0035345600000000, -0.0003625200000000 ] - [ 0.0001877900000000, -0.0017363900000000, -0.0008368500000000 ] - [ -0.0001957200000000, -0.0017369500000000, 0.0006345800000000 ] - [ 0.0224478100000000, -0.0202259500000000, 0.0216635500000000 ] - [ -0.0001405500000000, -0.0041196100000000, -0.0000800600000000 ] - [ -0.0009964600000000, 0.0021854800000000, 0.0000283500000000 ] - [ 0.0008227700000000, 0.0021631400000000, 0.0001207700000000 ] - [ -0.0074281000000000, -0.0177134600000000, -0.0067417700000000 ] - [ 0.0001284000000000, 0.0014366300000000, -0.0000191700000000 ] - [ -0.0690439600000000, -0.1147148900000000, 0.0184255700000000 ] - [ 0.0006265500000000, 0.0024841900000000, 0.0000095400000000 ] - [ 0.0459580200000000, -0.0860542300000000, -0.0089714000000000 ] - [ -0.0005853200000000, 0.0024223700000000, -0.0002732900000000 ] - [ -0.0081132000000000, 0.0087881900000000, -0.0002146200000000 ] - [ -0.0007032200000000, 0.0028425500000000, 0.0001926900000000 ] - [ 0.0056460500000000, 0.0065071300000000, 0.0000368400000000 ] - [ 0.0002994300000000, 0.0029530600000000, 0.0000957000000000 ] - [ 0.0021070700000000, 0.0031667800000000, 0.0037067700000000 ] - [ 0.0002939500000000, 0.0029423200000000, -0.0009347900000000 ] - [ -0.0021604200000000, 0.0038219800000000, -0.0032663000000000 ] - [ -0.0003309800000000, 0.0030394600000000, 0.0011671600000000 ] - [ 0.0003357400000000, -0.0046905800000000, 0.0001388400000000 ] - [ 0.0000667600000000, 0.0013147900000000, -0.0001035900000000 ] - [ -0.0006118700000000, 0.0007566800000000, 0.0006701100000000 ] - [ 0.0004744000000000, 0.0008543200000000, -0.0011519700000000 ] - [ -0.0003809700000000, -0.0052890500000000, 0.0049424900000000 ] - [ 0.0003823300000000, 0.0022287000000000, -0.0007134200000000 ] - [ 0.0000870600000000, -0.0048863300000000, -0.0053653300000000 ] - [ -0.0003492300000000, 0.0024864100000000, 0.0007263200000000 ] - [ -0.0033570100000000, -0.0042365000000000, 0.0008229900000000 ] - [ 0.0004366900000000, 0.0022141900000000, 0.0005149700000000 ] - [ 0.0040913600000000, -0.0037492400000000, -0.0011152100000000 ] - [ -0.0004872100000000, 0.0023584100000000, -0.0005430800000000 ] - [ -0.0006977500000000, -0.0002237800000000, 0.0007630400000000 ] - [ 0.0003511200000000, 0.0018227600000000, 0.0004877000000000 ] - [ 0.0006549500000000, -0.0000228500000000, -0.0008768100000000 ] - [ -0.0003476700000000, 0.0017295100000000, -0.0005555000000000 ] - [ 0.0003939900000000, -0.0023210700000000, -0.0000091500000000 ] - [ -0.0003283600000000, 0.0012176800000000, -0.0000541400000000 ] - [ -0.0000222500000000, 0.0005653400000000, -0.0001981500000000 ] - [ 0.0000067900000000, 0.0006195300000000, -0.0000607900000000 ] - [ 0.0015539100000000, 0.0009690400000000, 0.0009589600000000 ] - [ -0.0016347200000000, 0.0010446000000000, -0.0007391900000000 ] - [ 0.0002269900000000, -0.0023119800000000, 0.0001701600000000 ] - [ 0.0003273100000000, 0.0012274900000000, 0.0000515200000000 ] - [ 0.0001975900000000, -0.0007810200000000, -0.0000447400000000 ] - [ -0.0004322100000000, 0.0017238100000000, -0.0005652300000000 ] - [ -0.0000751600000000, -0.0006721100000000, 0.0000674900000000 ] - [ 0.0004396700000000, 0.0016512900000000, 0.0006259800000000 ] - [ 0.0016983700000000, -0.0042926500000000, 0.0015723400000000 ] - [ -0.0004086500000000, 0.0022143400000000, -0.0005083700000000 ] - [ -0.0013262400000000, -0.0038594500000000, -0.0014385600000000 ] - [ 0.0004627500000000, 0.0023608100000000, 0.0005419100000000 ] - [ 0.0007392300000000, -0.0042523700000000, -0.0022545400000000 ] - [ -0.0003791500000000, 0.0021310500000000, 0.0005371600000000 ] - [ -0.0007621300000000, -0.0048024100000000, 0.0026514300000000 ] - [ 0.0003535800000000, 0.0024105800000000, -0.0005700200000000 ] - [ 0.0007914300000000, 0.0008699500000000, -0.0009534700000000 ] - [ -0.0006160100000000, 0.0009461200000000, 0.0014129300000000 ] - [ -0.0005929500000000, -0.0178632800000000, 0.0018827400000000 ] - [ -0.0000657500000000, 0.0013499100000000, 0.0001043300000000 ] - [ 0.0000551000000000, 0.0000132200000000, -0.0000770000000000 ] - [ 0.0003209100000000, 0.0018132000000000, -0.0006137900000000 ] - [ -0.0001782800000000, -0.0002143000000000, -0.0003856900000000 ] - [ -0.0002721500000000, 0.0016330900000000, 0.0003707400000000 ] - [ -0.0003268700000000, 0.0055706400000000, -0.0066890900000000 ] - [ 0.0009652700000000, 0.0028293300000000, -0.0000180400000000 ] - [ 0.0008023300000000, 0.0040999700000000, 0.0051395300000000 ] - [ -0.0005836000000000, 0.0029448500000000, -0.0002767900000000 ] - [ -0.0073449600000000, -0.0051535400000000, -0.0084173100000000 ] - [ 0.0006749800000000, 0.0023460300000000, 0.0003630800000000 ] - [ 0.0056511300000000, -0.0048213600000000, 0.0065680600000000 ] - [ -0.0006984600000000, 0.0023834300000000, -0.0000817700000000 ] - [ -0.0003083300000000, -0.0039404200000000, -0.0000582900000000 ] - [ -0.0001346800000000, 0.0013649600000000, 0.0000124800000000 ] - [ 0.0005544500000000, 0.0007992700000000, 0.0007085600000000 ] - [ -0.0004295100000000, 0.0008608000000000, -0.0008275300000000 ]- atom: 9 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0056360900000000, 0.0073396000000000, 0.0053983100000000 ] - [ -0.0001586000000000, -0.0001253800000000, 0.0002003400000000 ] - [ -0.0057517500000000, -0.0070971900000000, 0.0057712900000000 ] - [ -0.0001375100000000, 0.0000989800000000, 0.0001749300000000 ] - [ 0.0044001400000000, -0.0023203300000000, 0.0004208500000000 ] - [ 0.0001511300000000, 0.0000850900000000, -0.0000748800000000 ] - [ 0.0043175000000000, 0.0022482100000000, 0.0007370400000000 ] - [ 0.0001398200000000, -0.0000726300000000, -0.0000363500000000 ] - [ 0.1320569700000000, 0.0233325100000000, -0.2804277500000000 ] - [ -0.0001058100000000, 0.0000066700000000, -0.0001247400000000 ] - [ -0.0000062100000000, -0.0017647200000000, -0.0110752800000000 ] - [ 0.0001756000000000, 0.0002492400000000, -0.0002493200000000 ] - [ -0.0012656700000000, -0.0011918600000000, -0.0003492000000000 ] - [ -0.0013670200000000, 0.0013450100000000, -0.0001796900000000 ] - [ -0.0020726300000000, -0.0036781900000000, 0.0067219000000000 ] - [ -0.0000302500000000, 0.0000066100000000, 0.0001181200000000 ] - [ -0.0021121600000000, 0.0034396000000000, 0.0067488300000000 ] - [ -0.0000227900000000, -0.0003252700000000, 0.0001104000000000 ] - [ 0.0020149900000000, 0.0028692700000000, 0.0032949000000000 ] - [ 0.0000564600000000, -0.0001066600000000, 0.0002268400000000 ] - [ 0.0018704000000000, -0.0027938600000000, 0.0035318200000000 ] - [ 0.0000457000000000, 0.0000658500000000, 0.0001884200000000 ] - [ 0.0007090800000000, 0.0011090800000000, -0.0007785800000000 ] - [ 0.0010735200000000, -0.0009230800000000, -0.0006094400000000 ] - [ -0.0006967300000000, -0.0003452900000000, -0.0022644000000000 ] - [ 0.0001418400000000, 0.0000120000000000, 0.0000431800000000 ] - [ -0.0002020600000000, -0.0003222300000000, -0.0002048900000000 ] - [ -0.0001547400000000, 0.0002345200000000, -0.0001951200000000 ] - [ 0.0018193900000000, -0.0023156300000000, -0.0012543900000000 ] - [ 0.0017131800000000, 0.0021242900000000, -0.0012467400000000 ] - [ -0.0020144100000000, 0.0000211900000000, 0.0015216800000000 ] - [ 0.0000012400000000, -0.0000149800000000, 0.0003801200000000 ] - [ -0.0124063700000000, -0.0000300800000000, 0.0113981900000000 ] - [ -0.0003121000000000, 0.0001125700000000, 0.0001764200000000 ] - [ 0.0005238600000000, 0.0009436100000000, 0.0007999500000000 ] - [ 0.0005134900000000, -0.0008587000000000, 0.0008518500000000 ] - [ -0.0008062800000000, 0.0007169100000000, 0.0007824500000000 ] - [ -0.0008900100000000, -0.0006145400000000, 0.0008940600000000 ] - [ 0.0095232800000000, -0.0000260300000000, 0.0102664100000000 ] - [ 0.0003000700000000, 0.0001149500000000, -0.0001147100000000 ] - [ -0.0079027300000000, -0.0001165700000000, 0.0534584700000000 ] - [ -0.0000511500000000, -0.0000120700000000, -0.0003785800000000 ] - [ -0.0003833000000000, -0.0002786600000000, 0.0001512900000000 ] - [ -0.0004572500000000, 0.0003583500000000, 0.0001160400000000 ] - [ -0.0015150200000000, 0.0031137200000000, -0.0134988700000000 ] - [ 0.0002869400000000, -0.0000507900000000, -0.0003767600000000 ] - [ -0.0007805300000000, 0.0000558200000000, 0.0010554200000000 ] - [ -0.0007785000000000, 0.0000909400000000, 0.0010011900000000 ] - [ 0.0189881500000000, 0.0017805300000000, 0.0362577800000000 ] - [ 0.0001035700000000, 0.0000028300000000, -0.0000296600000000 ] - [ -0.0495916800000000, -0.0525413100000000, 0.0313515600000000 ] - [ -0.0000400200000000, -0.0000296300000000, -0.0000211400000000 ] - [ -0.0293573000000000, 0.0290148200000000, 0.0232926800000000 ] - [ 0.0000601000000000, 0.0000391200000000, 0.0000584700000000 ] - [ 0.0034583200000000, -0.0034650600000000, 0.0006115300000000 ] - [ -0.0001632900000000, 0.0005395800000000, 0.0001414900000000 ] - [ 0.0031066400000000, 0.0032865200000000, 0.0004566800000000 ] - [ -0.0000617100000000, -0.0005399000000000, 0.0000511500000000 ] - [ -0.0012462600000000, -0.0026559500000000, -0.0003539900000000 ] - [ -0.0001514400000000, 0.0005935400000000, 0.0000933300000000 ] - [ -0.0013686400000000, 0.0028429700000000, -0.0006206000000000 ] - [ -0.0001448600000000, -0.0005130200000000, 0.0001253000000000 ] - [ 0.0020724500000000, -0.0000325800000000, 0.0008474300000000 ] - [ 0.0000815700000000, -0.0000452600000000, -0.0001245600000000 ] - [ 0.0004680500000000, 0.0000000600000000, -0.0007803700000000 ] - [ 0.0004939100000000, 0.0000452500000000, -0.0007546000000000 ] - [ 0.0019089500000000, -0.0001412300000000, -0.0064342800000000 ] - [ 0.0000873700000000, -0.0001113900000000, -0.0000466000000000 ] - [ 0.0020281300000000, -0.0002949700000000, -0.0059791700000000 ] - [ 0.0000804600000000, 0.0000111700000000, -0.0000702600000000 ] - [ 0.0022065900000000, -0.0008600400000000, -0.0030314200000000 ] - [ 0.0000213300000000, -0.0000537900000000, -0.0000418200000000 ] - [ 0.0022030800000000, 0.0008993600000000, -0.0031977700000000 ] - [ 0.0000085600000000, 0.0001192100000000, -0.0001431000000000 ] - [ 0.0013270700000000, 0.0004686800000000, -0.0014092200000000 ] - [ 0.0001673900000000, -0.0001944500000000, -0.0002825500000000 ] - [ 0.0012759000000000, -0.0006273000000000, -0.0014474300000000 ] - [ 0.0000898100000000, 0.0001892900000000, -0.0003095700000000 ] - [ -0.0049118000000000, 0.0000852800000000, -0.0015429800000000 ] - [ -0.0003370700000000, -0.0000109600000000, -0.0000607300000000 ] - [ 0.0006037200000000, -0.0000797900000000, -0.0002825100000000 ] - [ 0.0005621500000000, 0.0000189200000000, -0.0002749100000000 ] - [ -0.0010653900000000, -0.0002070900000000, -0.0000318700000000 ] - [ -0.0011127900000000, 0.0001862500000000, -0.0000325700000000 ] - [ 0.0140126400000000, 0.0001154200000000, -0.0118614000000000 ] - [ 0.0003788300000000, -0.0000107200000000, 0.0000320200000000 ] - [ -0.0010125900000000, 0.0021368200000000, -0.0014644200000000 ] - [ -0.0001315800000000, -0.0002663500000000, -0.0000983500000000 ] - [ -0.0008854900000000, -0.0020400000000000, -0.0014357600000000 ] - [ -0.0000461900000000, 0.0002689100000000, -0.0000693300000000 ] - [ -0.0028190600000000, 0.0088482100000000, -0.0136661300000000 ] - [ 0.0000059700000000, -0.0000912000000000, -0.0000148700000000 ] - [ -0.0028251100000000, -0.0087743600000000, -0.0136197400000000 ] - [ 0.0000159300000000, 0.0001532600000000, 0.0000862300000000 ] - [ -0.0018273700000000, -0.0008637200000000, -0.0025584800000000 ] - [ -0.0000917700000000, -0.0001490100000000, -0.0000463700000000 ] - [ -0.0019233300000000, 0.0009160200000000, -0.0026065000000000 ] - [ -0.0000858200000000, 0.0000345700000000, -0.0000076400000000 ] - [ 0.0002067500000000, 0.0007813800000000, 0.0000589600000000 ] - [ 0.0002003600000000, -0.0005945600000000, 0.0001044800000000 ] - [ -0.0661121200000000, -0.0016692900000000, 0.1640338300000000 ] - [ -0.0000875600000000, -0.0000461100000000, 0.0001726600000000 ] - [ -0.0003308300000000, 0.0006492500000000, -0.0009153400000000 ] - [ 0.0000312300000000, 0.0000049900000000, -0.0001686500000000 ] - [ -0.0002712600000000, -0.0006739600000000, -0.0007622400000000 ] - [ 0.0000338200000000, -0.0000101300000000, -0.0001667700000000 ] - [ -0.0018096200000000, -0.0009349300000000, 0.0047236400000000 ] - [ -0.0000887500000000, -0.0002740400000000, 0.0001636600000000 ] - [ -0.0015172400000000, -0.0003904900000000, 0.0033346800000000 ] - [ -0.0001368500000000, 0.0001168800000000, 0.0001101700000000 ] - [ -0.0002289500000000, 0.0010890600000000, 0.0048018500000000 ] - [ -0.0001765000000000, -0.0000232500000000, 0.0000880600000000 ] - [ -0.0013484900000000, -0.0009709000000000, 0.0041578000000000 ] - [ -0.0000456500000000, 0.0000357800000000, 0.0001202400000000 ] - [ 0.0018812000000000, 0.0001494300000000, -0.0018232200000000 ] - [ -0.0001206200000000, -0.0000029700000000, 0.0000170600000000 ] - [ 0.0007281600000000, 0.0001395800000000, 0.0001102000000000 ] - [ 0.0007599700000000, -0.0000830400000000, 0.0000849000000000 ]- atom: 9 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0056402400000000, -0.0073769800000000, -0.0052546500000000 ] - [ 0.0001320000000000, 0.0001768400000000, -0.0000825500000000 ] - [ 0.0057526400000000, 0.0071332700000000, -0.0057147100000000 ] - [ 0.0001123400000000, -0.0001435600000000, -0.0001411500000000 ] - [ -0.0043532800000000, 0.0023643400000000, -0.0005524700000000 ] - [ -0.0001165000000000, -0.0000389800000000, -0.0000543000000000 ] - [ -0.0042885700000000, -0.0022884700000000, -0.0007561200000000 ] - [ -0.0001238300000000, 0.0000303500000000, 0.0000175100000000 ] - [ -0.1293595800000000, -0.0239680200000000, 0.2676593100000000 ] - [ -0.0002490900000000, 0.0000204000000000, 0.0000393500000000 ] - [ -0.0000251400000000, 0.0020747300000000, 0.0110330100000000 ] - [ -0.0001750900000000, 0.0001037200000000, 0.0002482400000000 ] - [ 0.0010925600000000, 0.0012075500000000, 0.0003275100000000 ] - [ 0.0011874700000000, -0.0013143000000000, 0.0001614200000000 ] - [ 0.0020820800000000, 0.0033623900000000, -0.0067084000000000 ] - [ 0.0000308900000000, -0.0003027800000000, -0.0001168900000000 ] - [ 0.0021204500000000, -0.0037079600000000, -0.0067348000000000 ] - [ 0.0000239900000000, 0.0000380600000000, -0.0001100700000000 ] - [ -0.0020760000000000, -0.0027251100000000, -0.0032791500000000 ] - [ -0.0000563800000000, 0.0002813800000000, -0.0002258000000000 ] - [ -0.0019249500000000, 0.0026115600000000, -0.0035176500000000 ] - [ -0.0000467500000000, -0.0002753900000000, -0.0001872800000000 ] - [ -0.0005374000000000, -0.0010901600000000, 0.0007921200000000 ] - [ -0.0008960500000000, 0.0009465700000000, 0.0006207700000000 ] - [ 0.0010077200000000, 0.0003689200000000, 0.0023325300000000 ] - [ 0.0002136300000000, 0.0000153200000000, 0.0000422000000000 ] - [ 0.0002012100000000, 0.0002710800000000, 0.0002039500000000 ] - [ 0.0001544000000000, -0.0002869800000000, 0.0001944300000000 ] - [ -0.0017735800000000, 0.0023280100000000, 0.0016617400000000 ] - [ -0.0016685300000000, -0.0020976000000000, 0.0016535200000000 ] - [ 0.0020913300000000, -0.0000413000000000, -0.0008344100000000 ] - [ 0.0000294500000000, -0.0000040000000000, 0.0003025300000000 ] - [ 0.0119451400000000, 0.0002842900000000, -0.0112755100000000 ] - [ -0.0001481300000000, 0.0001350400000000, 0.0000113600000000 ] - [ -0.0007068200000000, -0.0008941600000000, -0.0009845600000000 ] - [ -0.0006931200000000, 0.0009033900000000, -0.0010416400000000 ] - [ 0.0009928200000000, -0.0006586900000000, -0.0005958200000000 ] - [ 0.0010734500000000, 0.0006498700000000, -0.0007018500000000 ] - [ -0.0090736500000000, 0.0002738400000000, -0.0103836900000000 ] - [ 0.0001598100000000, 0.0001335700000000, -0.0000734200000000 ] - [ 0.0077957100000000, 0.0000925800000000, -0.0537248100000000 ] - [ 0.0000201400000000, -0.0000062600000000, -0.0003049900000000 ] - [ 0.0003346000000000, 0.0003024100000000, -0.0005591400000000 ] - [ 0.0004089300000000, -0.0003422800000000, -0.0005245400000000 ] - [ 0.0014768100000000, -0.0030188200000000, 0.0134260300000000 ] - [ -0.0002861200000000, 0.0000844300000000, 0.0003746500000000 ] - [ 0.0004933900000000, 0.0000207500000000, -0.0010725900000000 ] - [ 0.0004889100000000, -0.0000200400000000, -0.0010189000000000 ] - [ -0.0186893400000000, -0.0017763100000000, -0.0357456800000000 ] - [ 0.0001749200000000, -0.0000126900000000, -0.0000528900000000 ] - [ 0.0502010100000000, 0.0538778600000000, -0.0310868700000000 ] - [ 0.0000650100000000, 0.0001098100000000, -0.0001307000000000 ] - [ 0.0297912300000000, -0.0295893700000000, -0.0230267800000000 ] - [ 0.0001942600000000, -0.0000967400000000, -0.0000968000000000 ] - [ -0.0036270100000000, 0.0034397500000000, -0.0006287200000000 ] - [ -0.0000492900000000, -0.0005193300000000, -0.0001561000000000 ] - [ -0.0032281900000000, -0.0033032400000000, -0.0004551400000000 ] - [ -0.0000914600000000, 0.0004888800000000, -0.0000468800000000 ] - [ 0.0011732100000000, 0.0024879800000000, 0.0005255400000000 ] - [ 0.0000730400000000, -0.0007655200000000, 0.0000983900000000 ] - [ 0.0013225800000000, -0.0026496200000000, 0.0008348600000000 ] - [ 0.0000945200000000, 0.0007098000000000, 0.0001058600000000 ] - [ -0.0019530400000000, -0.0000597700000000, -0.0010637400000000 ] - [ 0.0000342500000000, -0.0000479300000000, -0.0000898400000000 ] - [ -0.0004931100000000, 0.0000283200000000, 0.0001487400000000 ] - [ -0.0005195300000000, -0.0000167900000000, 0.0001162200000000 ] - [ -0.0018443200000000, -0.0001887200000000, 0.0065473500000000 ] - [ -0.0000411500000000, -0.0002555000000000, 0.0001037700000000 ] - [ -0.0019745000000000, 0.0003845200000000, 0.0060059700000000 ] - [ -0.0000416600000000, 0.0001111100000000, 0.0000557700000000 ] - [ -0.0022488600000000, 0.0008005400000000, 0.0030721800000000 ] - [ -0.0000430400000000, -0.0000109200000000, 0.0000889200000000 ] - [ -0.0022711500000000, -0.0007181100000000, 0.0030527300000000 ] - [ -0.0000564200000000, 0.0000653000000000, 0.0000038500000000 ] - [ -0.0012492300000000, -0.0004288000000000, 0.0013617600000000 ] - [ -0.0000872400000000, 0.0002191400000000, 0.0002330800000000 ] - [ -0.0013546800000000, 0.0005486600000000, 0.0013582300000000 ] - [ -0.0001656000000000, -0.0002529800000000, 0.0002204000000000 ] - [ 0.0042309500000000, -0.0001104600000000, 0.0014104700000000 ] - [ -0.0002776000000000, -0.0000156200000000, -0.0000627500000000 ] - [ -0.0005603000000000, 0.0000523100000000, 0.0000840700000000 ] - [ -0.0005179100000000, -0.0000533700000000, 0.0000755000000000 ] - [ 0.0010233100000000, 0.0001753100000000, 0.0002308800000000 ] - [ 0.0010693700000000, -0.0002165100000000, 0.0002325200000000 ] - [ -0.0134405200000000, -0.0001418800000000, 0.0120069400000000 ] - [ 0.0002354000000000, -0.0000152900000000, 0.0000911400000000 ] - [ 0.0009253700000000, -0.0021043600000000, 0.0015087100000000 ] - [ 0.0000501700000000, 0.0002935700000000, 0.0001462300000000 ] - [ 0.0009571100000000, 0.0019684400000000, 0.0015202200000000 ] - [ 0.0001222800000000, -0.0003360700000000, 0.0001550300000000 ] - [ 0.0028407100000000, -0.0089004800000000, 0.0135913600000000 ] - [ 0.0000176800000000, 0.0000266200000000, -0.0000350800000000 ] - [ 0.0028711400000000, 0.0089475900000000, 0.0137317200000000 ] - [ 0.0000299600000000, 0.0000316000000000, 0.0000538300000000 ] - [ 0.0017853900000000, 0.0004757800000000, 0.0024578500000000 ] - [ 0.0000445500000000, -0.0002181300000000, -0.0000111200000000 ] - [ 0.0018896800000000, -0.0007697400000000, 0.0025784000000000 ] - [ 0.0000488200000000, 0.0000874200000000, 0.0000216900000000 ] - [ -0.0001809800000000, -0.0007495200000000, 0.0005731100000000 ] - [ -0.0001736700000000, 0.0006187500000000, 0.0005348700000000 ] - [ 0.0623110300000000, 0.0014747600000000, -0.1528690800000000 ] - [ -0.0000279400000000, -0.0000470500000000, 0.0000421100000000 ] - [ 0.0003908500000000, -0.0004536900000000, 0.0006825900000000 ] - [ 0.0000209300000000, 0.0001935400000000, -0.0000647200000000 ] - [ 0.0003592800000000, 0.0005029100000000, 0.0005745400000000 ] - [ 0.0000452900000000, -0.0001650100000000, -0.0000249500000000 ] - [ 0.0020112400000000, 0.0009439100000000, -0.0046869600000000 ] - [ 0.0002987800000000, 0.0002902500000000, -0.0001481000000000 ] - [ 0.0016648300000000, 0.0003483900000000, -0.0033214500000000 ] - [ 0.0002900800000000, -0.0001640900000000, -0.0001138100000000 ] - [ -0.0000102600000000, -0.0011480300000000, -0.0047345300000000 ] - [ -0.0000778500000000, -0.0000353100000000, -0.0000481600000000 ] - [ 0.0013339500000000, 0.0010541600000000, -0.0039844900000000 ] - [ 0.0000201700000000, 0.0000451900000000, 0.0000317500000000 ] - [ -0.0021330100000000, -0.0001597000000000, 0.0019287400000000 ] - [ -0.0001572800000000, -0.0000074400000000, 0.0000652500000000 ] - [ -0.0004406200000000, -0.0000661100000000, -0.0000871300000000 ] - [ -0.0004691600000000, 0.0001551800000000, -0.0000609800000000 ]- atom: 11 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0010225700000000, 0.0007575500000000, 0.0007532600000000 ] - [ -0.0008840900000000, 0.0009133100000000, -0.0007184300000000 ] - [ -0.0138249000000000, -0.0070826100000000, -0.0003253600000000 ] - [ -0.0000675000000000, -0.0000136600000000, 0.0000066900000000 ] - [ -0.0009892300000000, -0.0006944300000000, 0.0006262100000000 ] - [ -0.0008624000000000, -0.0008569300000000, -0.0008491500000000 ] - [ -0.0137979900000000, 0.0070145600000000, -0.0005036200000000 ] - [ -0.0000473500000000, -0.0000537900000000, -0.0000120600000000 ] - [ 0.0087966400000000, 0.0176529700000000, 0.0049849700000000 ] - [ -0.0002919600000000, -0.0000878000000000, 0.0001064100000000 ] - [ -0.2167948700000000, -0.0001114600000000, -0.0140366700000000 ] - [ -0.0000884400000000, 0.0001532300000000, 0.0000218300000000 ] - [ 0.0102393300000000, 0.0172919000000000, -0.0029179600000000 ] - [ -0.0001446600000000, -0.0002188100000000, -0.0000736400000000 ] - [ 0.0002903500000000, -0.0001264900000000, -0.0012511300000000 ] - [ 0.0005046200000000, -0.0001212400000000, -0.0009204100000000 ] - [ 0.0024790500000000, -0.0001563100000000, -0.0055181100000000 ] - [ 0.0000207600000000, -0.0001700800000000, -0.0001053500000000 ] - [ 0.0004009600000000, 0.0001117200000000, 0.0010629200000000 ] - [ 0.0001273500000000, 0.0001149000000000, 0.0008128900000000 ] - [ 0.0024671300000000, -0.0001392500000000, 0.0053794900000000 ] - [ 0.0000162300000000, -0.0001289500000000, 0.0000983500000000 ] - [ 0.0104738200000000, -0.0171823000000000, -0.0028153500000000 ] - [ 0.0000430500000000, 0.0002249400000000, -0.0000606600000000 ] - [ 0.0090920700000000, -0.0176989300000000, 0.0051551000000000 ] - [ 0.0000736900000000, 0.0001265200000000, 0.0001716600000000 ] - [ 0.0001232100000000, -0.0000259500000000, 0.0000003600000000 ] - [ 0.0031316100000000, -0.0000244400000000, -0.0003026700000000 ] - [ 0.0003918000000000, -0.0032664600000000, 0.0053107900000000 ] - [ 0.0001942400000000, 0.0003294700000000, 0.0002963300000000 ] - [ 0.0009629900000000, -0.0028956300000000, -0.0079229700000000 ] - [ 0.0001955100000000, 0.0003283700000000, 0.0002593800000000 ] - [ 0.0033848500000000, 0.0008571600000000, 0.0034841600000000 ] - [ -0.0000909600000000, 0.0001838100000000, 0.0000862100000000 ] - [ 0.0025491700000000, -0.0006182600000000, -0.0037798100000000 ] - [ 0.0000340900000000, -0.0000319000000000, -0.0001757500000000 ] - [ 0.0027592900000000, 0.0006489000000000, -0.0035915800000000 ] - [ 0.0002260500000000, 0.0000579200000000, 0.0000094700000000 ] - [ 0.0038529800000000, -0.0005898900000000, 0.0033356700000000 ] - [ 0.0003598700000000, 0.0000802700000000, -0.0000467500000000 ] - [ 0.0009123400000000, 0.0028803800000000, -0.0085910600000000 ] - [ 0.0001431000000000, -0.0003306300000000, -0.0004786000000000 ] - [ 0.0003228700000000, 0.0032865200000000, 0.0049265800000000 ] - [ 0.0001351200000000, -0.0003299200000000, -0.0001245000000000 ] - [ -0.0045094700000000, 0.0000499200000000, -0.0037464000000000 ] - [ -0.0046634500000000, 0.0000370500000000, 0.0041662900000000 ] - [ -0.0036266900000000, 0.0031728100000000, -0.0027723900000000 ] - [ -0.0001798800000000, -0.0000824700000000, -0.0000044200000000 ] - [ -0.0036848500000000, -0.0012794000000000, -0.0035802500000000 ] - [ 0.0001087300000000, 0.0000423900000000, -0.0001018200000000 ] - [ 0.0537636600000000, 0.0384173100000000, 0.0430661300000000 ] - [ 0.0000699800000000, 0.0000558700000000, -0.0000980600000000 ] - [ 0.0023071400000000, -0.0051640100000000, 0.0010137300000000 ] - [ 0.0011770800000000, -0.0002740100000000, -0.0006116000000000 ] - [ 0.0009511700000000, -0.0001130700000000, 0.0005470100000000 ] - [ 0.0019446000000000, -0.0057889100000000, -0.0014510200000000 ] - [ 0.0559157900000000, 0.0394155400000000, -0.0387541100000000 ] - [ -0.0000180500000000, 0.0000132700000000, -0.0000013100000000 ] - [ -0.0002043800000000, -0.0003830000000000, -0.0001746000000000 ] - [ 0.0006878400000000, 0.0009287000000000, -0.0008389700000000 ] - [ -0.0000375300000000, 0.0018571700000000, -0.0031125600000000 ] - [ -0.0000178200000000, -0.0000040700000000, 0.0000718700000000 ] - [ -0.0026619700000000, 0.0051708600000000, 0.0049713900000000 ] - [ 0.0000620400000000, -0.0001953200000000, -0.0001528700000000 ] - [ -0.0000716400000000, 0.0000875400000000, -0.0002369100000000 ] - [ -0.0039138800000000, -0.0012483000000000, 0.0025755000000000 ] - [ -0.0005579100000000, -0.0002788800000000, -0.0012004900000000 ] - [ 0.0000894400000000, -0.0001445800000000, -0.0000774000000000 ] - [ -0.0007111100000000, -0.0002665700000000, -0.0030449400000000 ] - [ 0.0000096700000000, 0.0000538300000000, -0.0000252300000000 ] - [ 0.0007943900000000, 0.0013788200000000, 0.0018124100000000 ] - [ -0.0001854300000000, -0.0003317400000000, 0.0003028200000000 ] - [ 0.0004617200000000, 0.0015653800000000, 0.0034930800000000 ] - [ -0.0000247300000000, -0.0000019000000000, -0.0000036000000000 ] - [ 0.0001073200000000, 0.0001232100000000, 0.0001777900000000 ] - [ -0.0004473600000000, -0.0001398600000000, 0.0012073500000000 ] - [ -0.0006317000000000, -0.0003333800000000, 0.0031031900000000 ] - [ -0.0000564400000000, -0.0000388500000000, -0.0000091800000000 ] - [ -0.0028767900000000, 0.0002735000000000, 0.0013261500000000 ] - [ -0.0004442900000000, -0.0000437200000000, 0.0000064800000000 ] - [ -0.0001104900000000, 0.0000167100000000, -0.0001588000000000 ] - [ -0.0018482400000000, -0.0003465200000000, -0.0010117100000000 ] - [ -0.0001579900000000, -0.0000490700000000, 0.0000497500000000 ] - [ -0.0018856100000000, 0.0003109900000000, -0.0007942400000000 ] - [ -0.0022531100000000, -0.0002974000000000, 0.0014245900000000 ] - [ 0.0001611300000000, 0.0000201500000000, 0.0001158000000000 ] - [ 0.0000250400000000, -0.0000982000000000, 0.0002302300000000 ] - [ -0.0005264500000000, 0.0001595600000000, 0.0012681100000000 ] - [ -0.0005458900000000, 0.0002624300000000, 0.0032043700000000 ] - [ 0.0000315600000000, -0.0000240600000000, 0.0000775000000000 ] - [ 0.0008093500000000, -0.0014427800000000, 0.0017597400000000 ] - [ -0.0001661200000000, 0.0002636900000000, 0.0002602800000000 ] - [ 0.0005063500000000, -0.0013756900000000, 0.0036097700000000 ] - [ 0.0000350700000000, 0.0002018200000000, 0.0001317500000000 ] - [ -0.0006046500000000, -0.0000934800000000, -0.0012569100000000 ] - [ 0.0000458000000000, -0.0002277200000000, -0.0001380900000000 ] - [ -0.0007537200000000, 0.0003987100000000, -0.0030214300000000 ] - [ -0.0000339300000000, 0.0000780600000000, -0.0000199900000000 ] - [ -0.0000512600000000, -0.0000569100000000, 0.0003827200000000 ] - [ -0.0039170000000000, 0.0012775200000000, 0.0031845200000000 ] - [ -0.0027741400000000, -0.0052112600000000, 0.0051732300000000 ] - [ -0.0000558000000000, 0.0001002400000000, 0.0000679300000000 ] - [ 0.0000223900000000, -0.0016641400000000, -0.0033801700000000 ] - [ 0.0000300600000000, 0.0001965100000000, -0.0001796400000000 ] - [ -0.0001189900000000, 0.0002095500000000, -0.0003761100000000 ] - [ 0.0007805100000000, -0.0011071300000000, -0.0010471100000000 ] - [ 0.0011476900000000, 0.0001286200000000, 0.0005638500000000 ] - [ 0.0021402600000000, 0.0058326800000000, -0.0014430900000000 ] - [ 0.0555147000000000, -0.0380727900000000, -0.0372796900000000 ] - [ 0.0001234300000000, -0.0000550500000000, 0.0000030900000000 ] - [ 0.0020649900000000, 0.0050848600000000, 0.0010504800000000 ] - [ 0.0009384200000000, 0.0002267200000000, -0.0005588700000000 ] - [ 0.0540170100000000, -0.0394935400000000, 0.0446368400000000 ] - [ 0.0000457300000000, 0.0000333700000000, 0.0000613200000000 ] - [ -0.0039348800000000, 0.0012638800000000, -0.0034990800000000 ] - [ -0.0001624000000000, -0.0000560400000000, -0.0000121600000000 ] - [ -0.0033542900000000, -0.0031344400000000, -0.0027310700000000 ] - [ 0.0000930600000000, 0.0001507400000000, 0.0000420900000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004350400000000, 0.0023527300000000, 0.0017820700000000 ] - [ -0.0006457600000000, 0.0023873900000000, -0.0017939800000000 ] - [ -0.0062378100000000, -0.0204413200000000, -0.0006534600000000 ] - [ -0.0000314700000000, 0.0022615000000000, 0.0000223200000000 ] - [ 0.0004350400000000, 0.0023527300000000, -0.0017820700000000 ] - [ 0.0006457600000000, 0.0023873900000000, 0.0017939800000000 ] - [ 0.0062378100000000, -0.0204413200000000, 0.0006534600000000 ] - [ 0.0000314700000000, 0.0022615000000000, -0.0000223200000000 ] - [ 0.0148303700000000, 0.0156047100000000, 0.0062480000000000 ] - [ -0.0006855400000000, 0.0035657500000000, -0.0002443500000000 ] - [ 0.0000000000000000, -0.2867617200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0034474800000000, 0.0000000000000000 ] - [ 0.0154641500000000, 0.0154532200000000, -0.0041312500000000 ] - [ -0.0005439000000000, 0.0034109100000000, 0.0001383400000000 ] - [ 0.0000000000000000, 0.0020828000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022599600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0102372000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033089600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024871700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022188900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100286100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033780100000000, 0.0000000000000000 ] - [ -0.0154641500000000, 0.0154532200000000, 0.0041312500000000 ] - [ 0.0005439000000000, 0.0034109100000000, -0.0001383400000000 ] - [ -0.0148303700000000, 0.0156047100000000, -0.0062480000000000 ] - [ 0.0006855400000000, 0.0035657500000000, 0.0002443500000000 ] - [ 0.0000000000000000, 0.0002594400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003609500000000, 0.0000000000000000 ] - [ -0.0002592000000000, -0.0030533400000000, -0.0062453000000000 ] - [ 0.0001273600000000, 0.0035032000000000, 0.0004359900000000 ] - [ -0.0013712500000000, -0.0034764300000000, 0.0095584900000000 ] - [ 0.0002122700000000, 0.0036449400000000, 0.0000549800000000 ] - [ -0.0020362600000000, -0.0021182000000000, -0.0026026700000000 ] - [ -0.0002886000000000, 0.0033247200000000, 0.0003656900000000 ] - [ 0.0018421200000000, -0.0020709000000000, -0.0031816200000000 ] - [ -0.0000556700000000, 0.0031638200000000, 0.0001732600000000 ] - [ -0.0018421200000000, -0.0020709000000000, 0.0031816200000000 ] - [ 0.0000556700000000, 0.0031638200000000, -0.0001732600000000 ] - [ 0.0020362600000000, -0.0021182000000000, 0.0026026700000000 ] - [ 0.0002886000000000, 0.0033247200000000, -0.0003656900000000 ] - [ 0.0013712500000000, -0.0034764300000000, -0.0095584900000000 ] - [ -0.0002122700000000, 0.0036449400000000, -0.0000549800000000 ] - [ 0.0002592000000000, -0.0030533400000000, 0.0062453000000000 ] - [ -0.0001273600000000, 0.0035032000000000, -0.0004359900000000 ] - [ 0.0000000000000000, 0.0073267100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0077890000000000, 0.0000000000000000 ] - [ 0.0036312600000000, -0.0008750100000000, 0.0037670500000000 ] - [ -0.0002732500000000, -0.0010385300000000, -0.0001366100000000 ] - [ -0.0037672200000000, -0.0011289300000000, -0.0032701000000000 ] - [ 0.0003315600000000, -0.0013116100000000, 0.0002115500000000 ] - [ 0.0387865700000000, 0.0691537900000000, 0.0508168300000000 ] - [ -0.0005508800000000, -0.0023771600000000, -0.0000951800000000 ] - [ 0.0004791600000000, -0.0051490400000000, -0.0006312000000000 ] - [ 0.0015508500000000, -0.0032849000000000, 0.0009212800000000 ] - [ 0.0012914800000000, -0.0031702200000000, -0.0007835600000000 ] - [ 0.0002359500000000, -0.0057357500000000, 0.0005301800000000 ] - [ 0.0405761000000000, 0.0680321800000000, -0.0455181200000000 ] - [ -0.0006811300000000, -0.0024220700000000, 0.0000001700000000 ] - [ -0.0006305600000000, -0.0022241600000000, 0.0001749400000000 ] - [ 0.0003255000000000, -0.0002780300000000, 0.0014130500000000 ] - [ 0.0000387600000000, 0.0076140200000000, 0.0023398000000000 ] - [ 0.0003755400000000, -0.0022178300000000, -0.0004975200000000 ] - [ 0.0052287300000000, -0.0021390000000000, -0.0060195200000000 ] - [ -0.0000963300000000, -0.0015261800000000, 0.0000798000000000 ] - [ 0.0001339700000000, -0.0011218000000000, -0.0005364800000000 ] - [ -0.0040033700000000, -0.0012901700000000, 0.0028233500000000 ] - [ 0.0001528900000000, -0.0007937900000000, 0.0002154800000000 ] - [ -0.0001129000000000, -0.0019935700000000, 0.0006329900000000 ] - [ -0.0002956800000000, 0.0042815200000000, -0.0006479900000000 ] - [ 0.0003641900000000, -0.0022522400000000, -0.0006349900000000 ] - [ 0.0002035300000000, -0.0005002200000000, -0.0017085200000000 ] - [ -0.0005954600000000, -0.0022487900000000, -0.0000544300000000 ] - [ 0.0002920800000000, 0.0078388200000000, -0.0025450800000000 ] - [ 0.0003805800000000, -0.0022857700000000, 0.0005655700000000 ] - [ -0.0001750800000000, -0.0018733100000000, -0.0006186300000000 ] - [ 0.0001849500000000, -0.0005404700000000, -0.0001198900000000 ] - [ -0.0002879900000000, 0.0042168900000000, 0.0005499200000000 ] - [ 0.0003220000000000, -0.0023390600000000, 0.0005757400000000 ] - [ -0.0003724900000000, 0.0011560900000000, -0.0016383500000000 ] - [ -0.0004735700000000, -0.0011959000000000, 0.0000366900000000 ] - [ 0.0001351200000000, -0.0011668800000000, -0.0000134200000000 ] - [ 0.0009154900000000, 0.0010894100000000, -0.0014747300000000 ] - [ -0.0001351200000000, -0.0011668800000000, 0.0000134200000000 ] - [ -0.0009154900000000, 0.0010894100000000, 0.0014747300000000 ] - [ 0.0003724900000000, 0.0011560900000000, 0.0016383500000000 ] - [ 0.0004735700000000, -0.0011959000000000, -0.0000366900000000 ] - [ 0.0001750800000000, -0.0018733100000000, 0.0006186300000000 ] - [ -0.0001849500000000, -0.0005404700000000, 0.0001198900000000 ] - [ 0.0002879900000000, 0.0042168900000000, -0.0005499200000000 ] - [ -0.0003220000000000, -0.0023390600000000, -0.0005757400000000 ] - [ -0.0002035300000000, -0.0005002200000000, 0.0017085200000000 ] - [ 0.0005954600000000, -0.0022487900000000, 0.0000544300000000 ] - [ -0.0002920800000000, 0.0078388200000000, 0.0025450800000000 ] - [ -0.0003805800000000, -0.0022857700000000, -0.0005655700000000 ] - [ -0.0001528900000000, -0.0007937900000000, -0.0002154800000000 ] - [ 0.0001129000000000, -0.0019935700000000, -0.0006329900000000 ] - [ 0.0002956800000000, 0.0042815200000000, 0.0006479900000000 ] - [ -0.0003641900000000, -0.0022522400000000, 0.0006349900000000 ] - [ -0.0001339700000000, -0.0011218000000000, 0.0005364800000000 ] - [ 0.0040033700000000, -0.0012901700000000, -0.0028233500000000 ] - [ -0.0052287300000000, -0.0021390000000000, 0.0060195200000000 ] - [ 0.0000963300000000, -0.0015261800000000, -0.0000798000000000 ] - [ -0.0000387600000000, 0.0076140200000000, -0.0023398000000000 ] - [ -0.0003755400000000, -0.0022178300000000, 0.0004975200000000 ] - [ 0.0006305600000000, -0.0022241600000000, -0.0001749400000000 ] - [ -0.0003255000000000, -0.0002780300000000, -0.0014130500000000 ] - [ -0.0012914800000000, -0.0031702200000000, 0.0007835600000000 ] - [ -0.0002359500000000, -0.0057357500000000, -0.0005301800000000 ] - [ -0.0405761000000000, 0.0680321800000000, 0.0455181200000000 ] - [ 0.0006811300000000, -0.0024220700000000, -0.0000001700000000 ] - [ -0.0004791600000000, -0.0051490400000000, 0.0006312000000000 ] - [ -0.0015508500000000, -0.0032849000000000, -0.0009212800000000 ] - [ -0.0387865700000000, 0.0691537900000000, -0.0508168300000000 ] - [ 0.0005508800000000, -0.0023771600000000, 0.0000951800000000 ] - [ 0.0037672200000000, -0.0011289300000000, 0.0032701000000000 ] - [ -0.0003315600000000, -0.0013116100000000, -0.0002115500000000 ] - [ -0.0036312600000000, -0.0008750100000000, -0.0037670500000000 ] - [ 0.0002732500000000, -0.0010385300000000, 0.0001366100000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004040300000000, -0.0023058500000000, -0.0016730300000000 ] - [ 0.0006155800000000, -0.0023443600000000, 0.0019050100000000 ] - [ 0.0062114000000000, 0.0203918600000000, 0.0008331300000000 ] - [ 0.0000106300000000, -0.0023083800000000, 0.0000039200000000 ] - [ -0.0004040300000000, -0.0023058500000000, 0.0016730300000000 ] - [ -0.0006155800000000, -0.0023443600000000, -0.0019050100000000 ] - [ -0.0062114000000000, 0.0203918600000000, -0.0008331300000000 ] - [ -0.0000106300000000, -0.0023083800000000, -0.0000039200000000 ] - [ -0.0153411200000000, -0.0155868700000000, -0.0064721700000000 ] - [ 0.0003193200000000, -0.0035313200000000, 0.0001607400000000 ] - [ 0.0000000000000000, 0.2866361600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0031116800000000, 0.0000000000000000 ] - [ -0.0155006600000000, -0.0154127000000000, 0.0040069500000000 ] - [ 0.0003709200000000, -0.0033983200000000, -0.0001574000000000 ] - [ 0.0000000000000000, -0.0023678000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025597400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0099621600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036097800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022923300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020425600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0097979900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0035991300000000, 0.0000000000000000 ] - [ 0.0155006600000000, -0.0154127000000000, -0.0040069500000000 ] - [ -0.0003709200000000, -0.0033983200000000, 0.0001574000000000 ] - [ 0.0153411200000000, -0.0155868700000000, 0.0064721700000000 ] - [ -0.0003193200000000, -0.0035313200000000, -0.0001607400000000 ] - [ 0.0000000000000000, -0.0003108100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003052600000000, 0.0000000000000000 ] - [ 0.0002988500000000, 0.0030543900000000, 0.0066289300000000 ] - [ -0.0000800600000000, -0.0034877600000000, -0.0000368300000000 ] - [ 0.0014215300000000, 0.0034836800000000, -0.0089265700000000 ] - [ -0.0001739700000000, -0.0036628000000000, 0.0006350000000000 ] - [ 0.0015624500000000, 0.0023886400000000, 0.0027781800000000 ] - [ -0.0001675500000000, -0.0030778800000000, -0.0001894700000000 ] - [ -0.0020355600000000, 0.0021013900000000, 0.0029932500000000 ] - [ -0.0001270100000000, -0.0031211200000000, -0.0003679800000000 ] - [ 0.0020355600000000, 0.0021013900000000, -0.0029932500000000 ] - [ 0.0001270100000000, -0.0031211200000000, 0.0003679800000000 ] - [ -0.0015624500000000, 0.0023886400000000, -0.0027781800000000 ] - [ 0.0001675500000000, -0.0030778800000000, 0.0001894700000000 ] - [ -0.0014215300000000, 0.0034836800000000, 0.0089265700000000 ] - [ 0.0001739700000000, -0.0036628000000000, -0.0006350000000000 ] - [ -0.0002988500000000, 0.0030543900000000, -0.0066289300000000 ] - [ 0.0000800600000000, -0.0034877600000000, 0.0000368300000000 ] - [ 0.0000000000000000, -0.0073131500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077158500000000, 0.0000000000000000 ] - [ -0.0038982200000000, 0.0009535300000000, -0.0037785300000000 ] - [ -0.0000109200000000, 0.0011126900000000, 0.0001265200000000 ] - [ 0.0040248300000000, 0.0011000000000000, 0.0032368200000000 ] - [ -0.0000514600000000, 0.0013089300000000, -0.0002462100000000 ] - [ -0.0402949800000000, -0.0701535200000000, -0.0532043000000000 ] - [ 0.0005704300000000, 0.0024412200000000, -0.0000718200000000 ] - [ -0.0002159900000000, 0.0051094900000000, 0.0006030700000000 ] - [ -0.0012923600000000, 0.0032295700000000, -0.0009604000000000 ] - [ -0.0015039300000000, 0.0031921700000000, 0.0007642200000000 ] - [ -0.0004553400000000, 0.0057427900000000, -0.0005400000000000 ] - [ -0.0390283500000000, -0.0668025700000000, 0.0433926800000000 ] - [ 0.0005360400000000, 0.0023710900000000, -0.0000099300000000 ] - [ 0.0005592300000000, 0.0020516100000000, 0.0000218000000000 ] - [ -0.0003946000000000, 0.0001146000000000, -0.0012173300000000 ] - [ -0.0000859600000000, -0.0074063100000000, -0.0020995100000000 ] - [ -0.0004223900000000, 0.0024141500000000, 0.0007345200000000 ] - [ -0.0051307200000000, 0.0020574800000000, 0.0058588800000000 ] - [ 0.0002388700000000, 0.0014395800000000, -0.0002626500000000 ] - [ -0.0001672900000000, 0.0011515300000000, -0.0000963500000000 ] - [ 0.0039963500000000, 0.0013398400000000, -0.0034571700000000 ] - [ -0.0001020500000000, 0.0004174400000000, -0.0001486900000000 ] - [ 0.0001616400000000, 0.0016321100000000, -0.0005717600000000 ] - [ 0.0003407900000000, -0.0041667800000000, 0.0006236900000000 ] - [ -0.0003238700000000, 0.0023767600000000, 0.0006263400000000 ] - [ -0.0002321300000000, 0.0004336300000000, 0.0017662800000000 ] - [ 0.0005660900000000, 0.0021883500000000, 0.0001088800000000 ] - [ -0.0003394500000000, -0.0076743200000000, 0.0024176500000000 ] - [ -0.0004312700000000, 0.0024722400000000, -0.0007045800000000 ] - [ 0.0002531300000000, 0.0019002300000000, 0.0005753900000000 ] - [ -0.0001081400000000, 0.0005771000000000, 0.0000807000000000 ] - [ 0.0002063500000000, -0.0042802100000000, -0.0006461700000000 ] - [ -0.0004019100000000, 0.0022761900000000, -0.0006621600000000 ] - [ -0.0002553300000000, -0.0011870200000000, 0.0015328300000000 ] - [ -0.0001381100000000, 0.0011738100000000, -0.0001518800000000 ] - [ -0.0000918000000000, 0.0011362100000000, -0.0001843500000000 ] - [ -0.0008794500000000, -0.0011155600000000, 0.0012754400000000 ] - [ 0.0000918000000000, 0.0011362100000000, 0.0001843500000000 ] - [ 0.0008794500000000, -0.0011155600000000, -0.0012754400000000 ] - [ 0.0002553300000000, -0.0011870200000000, -0.0015328300000000 ] - [ 0.0001381100000000, 0.0011738100000000, 0.0001518800000000 ] - [ -0.0002531300000000, 0.0019002300000000, -0.0005753900000000 ] - [ 0.0001081400000000, 0.0005771000000000, -0.0000807000000000 ] - [ -0.0002063500000000, -0.0042802100000000, 0.0006461700000000 ] - [ 0.0004019100000000, 0.0022761900000000, 0.0006621600000000 ] - [ 0.0002321300000000, 0.0004336300000000, -0.0017662800000000 ] - [ -0.0005660900000000, 0.0021883500000000, -0.0001088800000000 ] - [ 0.0003394500000000, -0.0076743200000000, -0.0024176500000000 ] - [ 0.0004312700000000, 0.0024722400000000, 0.0007045800000000 ] - [ 0.0001020500000000, 0.0004174400000000, 0.0001486900000000 ] - [ -0.0001616400000000, 0.0016321100000000, 0.0005717600000000 ] - [ -0.0003407900000000, -0.0041667800000000, -0.0006236900000000 ] - [ 0.0003238700000000, 0.0023767600000000, -0.0006263400000000 ] - [ 0.0001672900000000, 0.0011515300000000, 0.0000963500000000 ] - [ -0.0039963500000000, 0.0013398400000000, 0.0034571700000000 ] - [ 0.0051307200000000, 0.0020574800000000, -0.0058588800000000 ] - [ -0.0002388700000000, 0.0014395800000000, 0.0002626500000000 ] - [ 0.0000859600000000, -0.0074063100000000, 0.0020995100000000 ] - [ 0.0004223900000000, 0.0024141500000000, -0.0007345200000000 ] - [ -0.0005592300000000, 0.0020516100000000, -0.0000218000000000 ] - [ 0.0003946000000000, 0.0001146000000000, 0.0012173300000000 ] - [ 0.0015039300000000, 0.0031921700000000, -0.0007642200000000 ] - [ 0.0004553400000000, 0.0057427900000000, 0.0005400000000000 ] - [ 0.0390283500000000, -0.0668025700000000, -0.0433926800000000 ] - [ -0.0005360400000000, 0.0023710900000000, 0.0000099300000000 ] - [ 0.0002159900000000, 0.0051094900000000, -0.0006030700000000 ] - [ 0.0012923600000000, 0.0032295700000000, 0.0009604000000000 ] - [ 0.0402949800000000, -0.0701535200000000, 0.0532043000000000 ] - [ -0.0005704300000000, 0.0024412200000000, 0.0000718200000000 ] - [ -0.0040248300000000, 0.0011000000000000, -0.0032368200000000 ] - [ 0.0000514600000000, 0.0013089300000000, 0.0002462100000000 ] - [ 0.0038982200000000, 0.0009535300000000, 0.0037785300000000 ] - [ 0.0000109200000000, 0.0011126900000000, -0.0001265200000000 ]- atom: 11 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0002080700000000, 0.0009329000000000, 0.0006000100000000 ] - [ 0.0007072100000000, -0.0016037900000000, 0.0012798700000000 ] - [ 0.0064463400000000, 0.0029460300000000, 0.0378203700000000 ] - [ 0.0000174500000000, -0.0000346000000000, 0.0000345400000000 ] - [ 0.0002475700000000, -0.0008860500000000, 0.0004720900000000 ] - [ 0.0007372900000000, 0.0016492100000000, 0.0011519800000000 ] - [ 0.0066281100000000, -0.0029548600000000, 0.0383346900000000 ] - [ 0.0000386900000000, -0.0000139800000000, 0.0000086200000000 ] - [ 0.0047719500000000, 0.0043329200000000, -0.0083269900000000 ] - [ -0.0000284600000000, -0.0000006100000000, -0.0003061400000000 ] - [ 0.0954594400000000, -0.0036884500000000, -0.3302544800000000 ] - [ 0.0000624900000000, 0.0001735200000000, -0.0000896500000000 ] - [ -0.0132322600000000, -0.0191427300000000, -0.0029486000000000 ] - [ -0.0001329600000000, 0.0001861600000000, -0.0001183600000000 ] - [ -0.0005335600000000, -0.0001571100000000, 0.0019228900000000 ] - [ -0.0007241800000000, -0.0001489900000000, 0.0013451700000000 ] - [ -0.0054587200000000, -0.0001124600000000, 0.0103661200000000 ] - [ -0.0000388000000000, -0.0001458700000000, 0.0001444000000000 ] - [ 0.0001791100000000, 0.0000861700000000, 0.0005693400000000 ] - [ 0.0003088800000000, 0.0000860900000000, 0.0008141200000000 ] - [ 0.0030690700000000, -0.0001006700000000, 0.0051655000000000 ] - [ 0.0000161300000000, -0.0001072200000000, 0.0000410900000000 ] - [ -0.0130581500000000, 0.0192200300000000, -0.0029094300000000 ] - [ 0.0000403100000000, -0.0001687200000000, -0.0001019600000000 ] - [ 0.0050595300000000, -0.0042417300000000, -0.0082076500000000 ] - [ 0.0003263000000000, 0.0000219700000000, -0.0002212400000000 ] - [ -0.0000238700000000, -0.0000260900000000, -0.0000481500000000 ] - [ -0.0023928100000000, -0.0000255700000000, -0.0006954300000000 ] - [ 0.0042103400000000, -0.0030726500000000, -0.0045504700000000 ] - [ 0.0001229600000000, 0.0001929900000000, 0.0001306500000000 ] - [ -0.0045485300000000, 0.0062923700000000, 0.0028413300000000 ] - [ -0.0002258300000000, -0.0005054800000000, 0.0004242100000000 ] - [ -0.0005340600000000, 0.0013654400000000, 0.0035338700000000 ] - [ -0.0003394400000000, 0.0000500400000000, 0.0002214200000000 ] - [ -0.0024356900000000, 0.0017989900000000, 0.0064926900000000 ] - [ -0.0001175000000000, 0.0000038700000000, 0.0000827500000000 ] - [ -0.0022547600000000, -0.0017239700000000, 0.0066661900000000 ] - [ 0.0000635100000000, 0.0000351900000000, 0.0002765200000000 ] - [ -0.0000409600000000, -0.0011205600000000, 0.0033507300000000 ] - [ 0.0001208600000000, 0.0001939900000000, 0.0000343300000000 ] - [ -0.0046163100000000, -0.0063820000000000, 0.0021599700000000 ] - [ -0.0002566200000000, 0.0004822500000000, -0.0002605200000000 ] - [ 0.0041499600000000, 0.0030882600000000, -0.0049673800000000 ] - [ 0.0000767200000000, -0.0001756400000000, -0.0002722700000000 ] - [ -0.0011038900000000, 0.0000213100000000, -0.0031589600000000 ] - [ 0.0062528000000000, 0.0000133500000000, -0.0067177600000000 ] - [ 0.0029699600000000, -0.0019846600000000, 0.0058217700000000 ] - [ -0.0001384100000000, 0.0000274300000000, 0.0000922700000000 ] - [ -0.0025417200000000, -0.0014138800000000, -0.0016635600000000 ] - [ 0.0001140100000000, 0.0000070500000000, -0.0000380300000000 ] - [ 0.0095857400000000, 0.0239079600000000, 0.0547618500000000 ] - [ -0.0000333000000000, 0.0000585100000000, -0.0000274100000000 ] - [ 0.0002170600000000, -0.0031305000000000, 0.0015591800000000 ] - [ -0.0012519300000000, 0.0004716000000000, 0.0010296100000000 ] - [ 0.0001542900000000, -0.0002889000000000, 0.0005699400000000 ] - [ -0.0026158700000000, 0.0087479200000000, 0.0025283000000000 ] - [ -0.0582769800000000, -0.0543660100000000, 0.0812623200000000 ] - [ -0.0001001600000000, -0.0000685500000000, 0.0000311000000000 ] - [ -0.0001646800000000, -0.0002423900000000, -0.0000507800000000 ] - [ -0.0010459400000000, 0.0006593400000000, 0.0002421400000000 ] - [ -0.0046193300000000, 0.0016629800000000, -0.0023002800000000 ] - [ -0.0000358200000000, 0.0000523700000000, 0.0001052000000000 ] - [ 0.0008498300000000, -0.0025922000000000, 0.0037055900000000 ] - [ 0.0000529500000000, 0.0001404300000000, 0.0000290300000000 ] - [ 0.0000543400000000, -0.0000579800000000, -0.0003773000000000 ] - [ 0.0062449600000000, 0.0024036100000000, -0.0044907000000000 ] - [ -0.0000551700000000, -0.0001668900000000, -0.0010744400000000 ] - [ -0.0000607200000000, -0.0000780900000000, -0.0001759400000000 ] - [ -0.0010195600000000, -0.0010346800000000, -0.0028486300000000 ] - [ 0.0000287600000000, 0.0000689300000000, -0.0000363200000000 ] - [ 0.0001600800000000, -0.0019390800000000, -0.0011900100000000 ] - [ 0.0002715900000000, 0.0004039200000000, -0.0003864800000000 ] - [ 0.0043233400000000, -0.0029050000000000, -0.0058793900000000 ] - [ -0.0000254000000000, 0.0002389600000000, -0.0001497300000000 ] - [ 0.0000568200000000, -0.0001698300000000, -0.0004005900000000 ] - [ 0.0005733000000000, 0.0002316200000000, -0.0021195300000000 ] - [ 0.0016274300000000, 0.0012799300000000, -0.0056477800000000 ] - [ -0.0000354400000000, -0.0000301600000000, -0.0001024100000000 ] - [ 0.0017105400000000, -0.0004681700000000, -0.0013998300000000 ] - [ -0.0001183100000000, 0.0000340200000000, -0.0001620300000000 ] - [ -0.0000305400000000, 0.0000020400000000, -0.0001400400000000 ] - [ 0.0000506400000000, -0.0002137500000000, -0.0002355500000000 ] - [ -0.0000729500000000, -0.0000315700000000, 0.0000600600000000 ] - [ 0.0000049600000000, 0.0001778100000000, -0.0000397000000000 ] - [ 0.0023551500000000, 0.0004511800000000, -0.0012789500000000 ] - [ 0.0004954800000000, -0.0000585300000000, -0.0000394900000000 ] - [ -0.0000271300000000, 0.0002059100000000, -0.0003560600000000 ] - [ 0.0004931200000000, -0.0002089400000000, -0.0020701300000000 ] - [ 0.0016951900000000, -0.0013804300000000, -0.0055742900000000 ] - [ 0.0000411600000000, -0.0000333700000000, -0.0000147400000000 ] - [ 0.0001785900000000, 0.0018946400000000, -0.0012416200000000 ] - [ 0.0002942600000000, -0.0004662200000000, -0.0004353200000000 ] - [ 0.0044007400000000, 0.0031124600000000, -0.0057775400000000 ] - [ 0.0000223900000000, -0.0000505400000000, -0.0000097200000000 ] - [ -0.0001086300000000, -0.0001985600000000, -0.0011320400000000 ] - [ -0.0001084100000000, -0.0002866300000000, -0.0002329300000000 ] - [ -0.0010720700000000, 0.0011554300000000, -0.0028354900000000 ] - [ -0.0000088300000000, 0.0000566400000000, -0.0000231400000000 ] - [ 0.0000827700000000, 0.0000893200000000, 0.0002512500000000 ] - [ 0.0062496700000000, -0.0023784300000000, -0.0038453700000000 ] - [ 0.0007379700000000, 0.0025284100000000, 0.0039533700000000 ] - [ -0.0000624800000000, -0.0002314700000000, 0.0002437900000000 ] - [ -0.0045781400000000, -0.0014693500000000, -0.0025233100000000 ] - [ 0.0000152500000000, 0.0001472600000000, -0.0001289600000000 ] - [ -0.0000860300000000, 0.0000700300000000, -0.0002409200000000 ] - [ -0.0009660600000000, -0.0008303900000000, 0.0000516500000000 ] - [ 0.0003622000000000, 0.0003044600000000, 0.0005891300000000 ] - [ -0.0024043200000000, -0.0087248000000000, 0.0025395800000000 ] - [ -0.0610800400000000, 0.0584051300000000, 0.0848549800000000 ] - [ 0.0000519600000000, 0.0000249100000000, 0.0000262500000000 ] - [ -0.0000377200000000, 0.0030537400000000, 0.0015956400000000 ] - [ -0.0015036800000000, -0.0005232000000000, 0.0010715200000000 ] - [ 0.0101391500000000, -0.0241878800000000, 0.0550535000000000 ] - [ -0.0000594700000000, 0.0000258800000000, 0.0001244700000000 ] - [ -0.0027901300000000, 0.0013899200000000, -0.0015722000000000 ] - [ -0.0001645600000000, -0.0000151700000000, 0.0000440500000000 ] - [ 0.0032613700000000, 0.0020545500000000, 0.0058304800000000 ] - [ 0.0001492100000000, 0.0000466500000000, 0.0001106800000000 ]- atom: 13 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0000086300000000, 0.0000981300000000, 0.0003409400000000 ] - [ 0.0035281100000000, -0.0052951700000000, 0.0098694900000000 ] - [ 0.0041319400000000, 0.0055720400000000, 0.0088546500000000 ] - [ -0.0000687900000000, -0.0001293900000000, 0.0003585000000000 ] - [ 0.0000155500000000, -0.0000214400000000, -0.0003634300000000 ] - [ -0.0004038500000000, 0.0020577500000000, -0.0057230800000000 ] - [ -0.0006414200000000, -0.0017304900000000, -0.0051984100000000 ] - [ 0.0000418300000000, -0.0000352400000000, -0.0003662800000000 ] - [ 0.0020537300000000, 0.0019071800000000, -0.0001366900000000 ] - [ 0.0026211300000000, -0.0025662900000000, 0.0000729100000000 ] - [ 0.0103889000000000, 0.0156028500000000, -0.0092479600000000 ] - [ -0.0000510600000000, -0.0002731500000000, -0.0000826000000000 ] - [ -0.3092293800000000, -0.0302812700000000, 0.0229830400000000 ] - [ -0.0002435700000000, -0.0000118100000000, -0.0000022200000000 ] - [ -0.0000915300000000, -0.0002794900000000, 0.0000829800000000 ] - [ -0.0052812900000000, 0.0055573100000000, -0.0018903800000000 ] - [ -0.0053717300000000, -0.0053721200000000, -0.0010565800000000 ] - [ -0.0000785800000000, -0.0000229400000000, 0.0000321500000000 ] - [ 0.0001158600000000, -0.0002233100000000, 0.0000284700000000 ] - [ 0.0021323200000000, 0.0026815000000000, 0.0024190500000000 ] - [ 0.0021304800000000, -0.0026507100000000, 0.0024445900000000 ] - [ 0.0001166900000000, 0.0001706900000000, 0.0000224300000000 ] - [ 0.0120881500000000, 0.0003771200000000, -0.0012593800000000 ] - [ 0.0002231600000000, -0.0000201600000000, -0.0000122700000000 ] - [ -0.0018444500000000, 0.0011207700000000, -0.0003911200000000 ] - [ -0.0025733100000000, -0.0017940900000000, -0.0003880700000000 ] - [ 0.0000025400000000, -0.0000300900000000, 0.0000016300000000 ] - [ 0.0149678400000000, -0.0000427900000000, 0.0076229800000000 ] - [ 0.0122128700000000, 0.0000077200000000, 0.0009701000000000 ] - [ 0.0000783500000000, -0.0000302400000000, 0.0002821100000000 ] - [ -0.0018556200000000, 0.0002435600000000, 0.0006578200000000 ] - [ -0.0017945300000000, 0.0001268100000000, 0.0009864700000000 ] - [ -0.0001451600000000, -0.0006910600000000, 0.0002957000000000 ] - [ -0.0001616100000000, 0.0008830400000000, 0.0002903500000000 ] - [ 0.0189212300000000, -0.0004877100000000, -0.0271419000000000 ] - [ -0.0001131300000000, 0.0000131500000000, -0.0000107000000000 ] - [ 0.0034668200000000, -0.0002271600000000, 0.0046265100000000 ] - [ 0.0001073800000000, 0.0000127700000000, 0.0000503800000000 ] - [ 0.0005774400000000, -0.0017655400000000, 0.0005618700000000 ] - [ 0.0007713200000000, 0.0019412700000000, 0.0005855100000000 ] - [ 0.0003632000000000, -0.0005989900000000, -0.0010599300000000 ] - [ 0.0004079000000000, 0.0005958200000000, -0.0013517900000000 ] - [ -0.0044375600000000, 0.0002000300000000, 0.0176444500000000 ] - [ -0.0000270400000000, -0.0000328700000000, -0.0002821500000000 ] - [ -0.0000704800000000, 0.0003719900000000, -0.0001393100000000 ] - [ 0.0157152600000000, -0.0197922200000000, -0.0139605500000000 ] - [ -0.0080418900000000, 0.0000000200000000, -0.0006187400000000 ] - [ -0.0001950900000000, 0.0000497500000000, -0.0000560000000000 ] - [ -0.0009621900000000, 0.0001448300000000, -0.0007656200000000 ] - [ -0.0011461900000000, -0.0001619700000000, -0.0009004200000000 ] - [ -0.0044324700000000, -0.0044093600000000, -0.0007809300000000 ] - [ -0.0000819700000000, 0.0009393900000000, -0.0001866600000000 ] - [ 0.0000849000000000, -0.0006888000000000, 0.0000002300000000 ] - [ -0.0060290300000000, 0.0058959100000000, -0.0009221400000000 ] - [ 0.0000097200000000, -0.0001040600000000, -0.0000697500000000 ] - [ 0.0510374100000000, -0.0497879300000000, 0.0055206700000000 ] - [ 0.0768340900000000, 0.0756834700000000, 0.0148268300000000 ] - [ 0.0000533200000000, 0.0001221600000000, -0.0000723800000000 ] - [ -0.0000924100000000, -0.0000164600000000, -0.0000056200000000 ] - [ -0.0047301500000000, -0.0011207400000000, -0.0017853700000000 ] - [ -0.0046831900000000, 0.0010279100000000, -0.0016557600000000 ] - [ -0.0000937100000000, 0.0000825400000000, 0.0000117000000000 ] - [ 0.0011649600000000, -0.0003460400000000, -0.0003431600000000 ] - [ 0.0013502300000000, 0.0002715100000000, -0.0006273600000000 ] - [ 0.0000511000000000, 0.0000203700000000, -0.0003806300000000 ] - [ 0.1004887700000000, 0.0062613500000000, -0.0793154100000000 ] - [ -0.0000208600000000, 0.0000748800000000, -0.0001458300000000 ] - [ -0.0006115600000000, -0.0008331900000000, -0.0008874400000000 ] - [ -0.0006710400000000, 0.0007508000000000, -0.0008997500000000 ] - [ -0.0000125900000000, -0.0001855600000000, -0.0001762100000000 ] - [ 0.0001794700000000, -0.0001270500000000, -0.0000709800000000 ] - [ 0.0028822900000000, 0.0001061000000000, -0.0021361700000000 ] - [ 0.0028185100000000, -0.0007830900000000, -0.0023198700000000 ] - [ 0.0001780600000000, 0.0000781400000000, -0.0001833900000000 ] - [ 0.0000392400000000, 0.0000556300000000, -0.0000469100000000 ] - [ 0.0020227400000000, -0.0011067900000000, -0.0031827900000000 ] - [ 0.0015632700000000, 0.0013171200000000, -0.0034673300000000 ] - [ -0.0000365600000000, -0.0000671900000000, -0.0000639000000000 ] - [ 0.0005188400000000, 0.0005536900000000, -0.0001937700000000 ] - [ 0.0003976200000000, -0.0006762100000000, -0.0002056300000000 ] - [ 0.0000192000000000, -0.0000066000000000, -0.0000836600000000 ] - [ -0.0044690200000000, -0.0000818600000000, -0.0056190500000000 ] - [ -0.0000519500000000, -0.0000059000000000, 0.0000662700000000 ] - [ -0.0105891800000000, -0.0000100900000000, 0.0015825300000000 ] - [ 0.0001421100000000, 0.0002942800000000, 0.0000337700000000 ] - [ 0.0001342700000000, -0.0003278400000000, 0.0000916000000000 ] - [ -0.0000163700000000, 0.0000911700000000, 0.0000089700000000 ] - [ -0.0012603500000000, -0.0064375200000000, 0.0101383100000000 ] - [ -0.0008698400000000, 0.0068901300000000, 0.0097540400000000 ] - [ 0.0000623100000000, -0.0000918800000000, 0.0000436900000000 ] - [ -0.0000379100000000, 0.0001811200000000, 0.0000689400000000 ] - [ 0.0002568800000000, -0.0014858300000000, 0.0015452700000000 ] - [ 0.0003624600000000, 0.0013693000000000, 0.0014410900000000 ] - [ -0.0000260600000000, -0.0000988200000000, 0.0002288400000000 ] - [ -0.0001119300000000, 0.0003501800000000, 0.0000563200000000 ] - [ -0.0003253400000000, -0.0022293800000000, -0.0002873600000000 ] - [ -0.0003376400000000, 0.0020845300000000, -0.0003164700000000 ] - [ -0.0001437800000000, -0.0004687200000000, 0.0000927900000000 ] - [ -0.0000333600000000, 0.0000239200000000, 0.0003633500000000 ] - [ -0.0037850100000000, 0.0000610800000000, -0.0009167500000000 ] - [ -0.0008001800000000, -0.0002100400000000, 0.0009210900000000 ] - [ -0.0009516900000000, 0.0002334300000000, 0.0011147200000000 ] - [ 0.0023303000000000, 0.0041478500000000, -0.0047083900000000 ] - [ 0.0000475800000000, 0.0000563500000000, -0.0000123000000000 ] - [ 0.0000441200000000, 0.0000139600000000, 0.0000070900000000 ] - [ 0.0024174800000000, -0.0042682100000000, -0.0045174200000000 ] - [ 0.0000195200000000, -0.0000806400000000, 0.0001296100000000 ] - [ -0.0060992000000000, 0.0005279600000000, 0.0062623800000000 ] - [ -0.0054560100000000, -0.0012212600000000, 0.0061099400000000 ] - [ -0.0000254800000000, 0.0001039200000000, 0.0001090800000000 ] - [ -0.0000443100000000, -0.0004398100000000, 0.0001073500000000 ] - [ 0.0010634900000000, 0.0046191100000000, 0.0060544900000000 ] - [ 0.0011131300000000, -0.0028606800000000, 0.0041473700000000 ] - [ 0.0001251800000000, 0.0007443800000000, 0.0002289100000000 ] - [ 0.0004198400000000, 0.0002931500000000, 0.0002355600000000 ] - [ 0.0005369100000000, -0.0003733000000000, 0.0003032700000000 ] - [ 0.0436295100000000, 0.0004071700000000, 0.0352331700000000 ] - [ 0.0001894100000000, 0.0000485100000000, 0.0000677900000000 ]- atom: 13 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0000155700000000, -0.0000586100000000, -0.0002255600000000 ] - [ -0.0035339400000000, 0.0053624800000000, -0.0097477300000000 ] - [ -0.0041395900000000, -0.0056392600000000, -0.0088201500000000 ] - [ 0.0000414700000000, 0.0000913600000000, -0.0003295600000000 ] - [ 0.0000179900000000, 0.0000566600000000, 0.0002341700000000 ] - [ 0.0004489300000000, -0.0020152900000000, 0.0056023800000000 ] - [ 0.0006759200000000, 0.0016835600000000, 0.0051944600000000 ] - [ -0.0000224900000000, 0.0000005100000000, 0.0003508900000000 ] - [ -0.0024105500000000, -0.0018840800000000, 0.0000411800000000 ] - [ -0.0029764800000000, 0.0025882400000000, -0.0001680900000000 ] - [ -0.0103460900000000, -0.0153473200000000, 0.0092210400000000 ] - [ 0.0000512400000000, 0.0006447100000000, 0.0000824500000000 ] - [ 0.3069986000000000, 0.0309109400000000, -0.0190166800000000 ] - [ 0.0000886100000000, 0.0000388800000000, -0.0000232700000000 ] - [ 0.0000908000000000, -0.0000514600000000, -0.0000810700000000 ] - [ 0.0052757600000000, -0.0058898900000000, 0.0019125900000000 ] - [ 0.0053615500000000, 0.0051211400000000, 0.0010820700000000 ] - [ 0.0000780600000000, -0.0002291100000000, -0.0000303400000000 ] - [ -0.0001154200000000, 0.0003637100000000, -0.0000284100000000 ] - [ -0.0021346500000000, -0.0025326800000000, -0.0024334700000000 ] - [ -0.0021317300000000, 0.0024641300000000, -0.0024581100000000 ] - [ -0.0001158300000000, -0.0003492800000000, -0.0000224700000000 ] - [ -0.0119562800000000, -0.0003403800000000, 0.0013186000000000 ] - [ -0.0000668000000000, 0.0000468500000000, 0.0000379500000000 ] - [ 0.0022055500000000, -0.0010915800000000, 0.0004786900000000 ] - [ 0.0029330800000000, 0.0018128700000000, 0.0004767100000000 ] - [ -0.0000034300000000, -0.0000214200000000, -0.0000002000000000 ] - [ -0.0148952200000000, -0.0000083700000000, -0.0075366900000000 ] - [ -0.0121799200000000, 0.0000243000000000, -0.0006303500000000 ] - [ -0.0000427500000000, 0.0000622600000000, 0.0001168200000000 ] - [ 0.0018737900000000, -0.0002652100000000, 0.0000141100000000 ] - [ 0.0018130700000000, -0.0001665100000000, -0.0003144800000000 ] - [ -0.0003252600000000, 0.0009272600000000, -0.0000963700000000 ] - [ -0.0003088000000000, -0.0006427900000000, -0.0000915500000000 ] - [ -0.0190233800000000, 0.0005626200000000, 0.0268218600000000 ] - [ -0.0000650200000000, 0.0000446100000000, -0.0001760900000000 ] - [ -0.0033136100000000, 0.0002840100000000, -0.0043954000000000 ] - [ 0.0000702900000000, 0.0000453400000000, 0.0001375500000000 ] - [ -0.0001119300000000, 0.0019992400000000, -0.0007605300000000 ] - [ -0.0003052500000000, -0.0017000400000000, -0.0007842700000000 ] - [ -0.0003906400000000, 0.0005602200000000, 0.0003915800000000 ] - [ -0.0004342300000000, -0.0006220600000000, 0.0006831000000000 ] - [ 0.0044139200000000, -0.0001662200000000, -0.0180989200000000 ] - [ -0.0000075700000000, 0.0000646900000000, -0.0001179500000000 ] - [ 0.0000707500000000, -0.0003740500000000, 0.0001385300000000 ] - [ -0.0156717700000000, 0.0199304500000000, 0.0139170000000000 ] - [ 0.0077583100000000, 0.0000695800000000, 0.0006092400000000 ] - [ -0.0000747300000000, 0.0000208300000000, 0.0000337900000000 ] - [ 0.0012369500000000, -0.0001440800000000, 0.0007157000000000 ] - [ 0.0014202300000000, 0.0001604300000000, 0.0008497600000000 ] - [ 0.0044098100000000, 0.0044534600000000, 0.0006431700000000 ] - [ 0.0000982200000000, -0.0008742200000000, 0.0000425200000000 ] - [ 0.0001528100000000, 0.0006649000000000, -0.0000564200000000 ] - [ 0.0062124400000000, -0.0058856100000000, 0.0008693700000000 ] - [ -0.0002125100000000, 0.0001215600000000, 0.0000410900000000 ] - [ -0.0523336700000000, 0.0522117400000000, -0.0057909800000000 ] - [ -0.0785823900000000, -0.0791392300000000, -0.0155329900000000 ] - [ -0.0002037600000000, -0.0001870800000000, 0.0000760100000000 ] - [ 0.0000226800000000, -0.0001419200000000, 0.0002014000000000 ] - [ 0.0046629800000000, 0.0009490700000000, 0.0019995600000000 ] - [ 0.0046511300000000, -0.0008467300000000, 0.0019158200000000 ] - [ 0.0000597200000000, 0.0000866200000000, 0.0002306600000000 ] - [ -0.0010256000000000, 0.0002577300000000, 0.0001519700000000 ] - [ -0.0012110900000000, -0.0003520600000000, 0.0004352600000000 ] - [ -0.0000902400000000, 0.0000025200000000, -0.0002462400000000 ] - [ -0.0965047700000000, -0.0059120600000000, 0.0741618100000000 ] - [ 0.0000701000000000, -0.0004244200000000, 0.0002059200000000 ] - [ 0.0006583700000000, 0.0004791500000000, 0.0009494400000000 ] - [ 0.0007134500000000, -0.0006325900000000, 0.0008950400000000 ] - [ 0.0000571000000000, 0.0002996600000000, 0.0001698400000000 ] - [ -0.0002063900000000, 0.0000777500000000, 0.0001327900000000 ] - [ -0.0029058000000000, -0.0001450600000000, 0.0021932800000000 ] - [ -0.0028740800000000, 0.0009538900000000, 0.0021905600000000 ] - [ -0.0002388900000000, 0.0001041300000000, 0.0000613200000000 ] - [ 0.0000418300000000, -0.0000142300000000, 0.0000085100000000 ] - [ -0.0019457700000000, 0.0011445400000000, 0.0031294300000000 ] - [ -0.0016424400000000, -0.0014057400000000, 0.0033782000000000 ] - [ -0.0000401500000000, -0.0000250500000000, -0.0000091700000000 ] - [ -0.0011176300000000, -0.0005741200000000, 0.0001014600000000 ] - [ -0.0009973400000000, 0.0006553500000000, 0.0001135200000000 ] - [ 0.0000201700000000, -0.0000302700000000, -0.0001130700000000 ] - [ 0.0045431000000000, 0.0000456800000000, 0.0054538200000000 ] - [ 0.0000124200000000, -0.0000305200000000, 0.0001302900000000 ] - [ 0.0105903300000000, -0.0000288600000000, -0.0013713500000000 ] - [ 0.0004632000000000, -0.0003129000000000, 0.0000561100000000 ] - [ 0.0004702700000000, 0.0003063800000000, -0.0000013200000000 ] - [ -0.0000654200000000, -0.0000494500000000, 0.0000288600000000 ] - [ 0.0011793100000000, 0.0064839200000000, -0.0101181000000000 ] - [ 0.0009489800000000, -0.0069864800000000, -0.0096918200000000 ] - [ 0.0000155100000000, -0.0000003800000000, 0.0000280000000000 ] - [ 0.0000656300000000, -0.0002248500000000, -0.0001344300000000 ] - [ -0.0002273600000000, 0.0014363700000000, -0.0016150500000000 ] - [ -0.0002994800000000, -0.0011829300000000, -0.0013252600000000 ] - [ 0.0000861000000000, 0.0002774800000000, -0.0001073600000000 ] - [ 0.0000623200000000, -0.0006994700000000, -0.0001157600000000 ] - [ 0.0002762600000000, 0.0018770300000000, 0.0002300500000000 ] - [ 0.0002939900000000, -0.0019662300000000, 0.0003230600000000 ] - [ 0.0000999800000000, 0.0005834500000000, -0.0000879300000000 ] - [ 0.0000728500000000, -0.0000013900000000, 0.0002626700000000 ] - [ 0.0038258800000000, -0.0000399300000000, 0.0015014200000000 ] - [ 0.0006611800000000, 0.0001282200000000, -0.0007262100000000 ] - [ 0.0008127400000000, -0.0003195500000000, -0.0009190900000000 ] - [ -0.0023037200000000, -0.0039841500000000, 0.0044755500000000 ] - [ -0.0000131700000000, 0.0001122700000000, -0.0002314200000000 ] - [ 0.0000242600000000, -0.0001718000000000, -0.0002020700000000 ] - [ -0.0023551000000000, 0.0041141000000000, 0.0043344100000000 ] - [ 0.0001819000000000, 0.0000983500000000, -0.0001019500000000 ] - [ 0.0062921100000000, -0.0005519600000000, -0.0062382100000000 ] - [ 0.0056157000000000, 0.0011935800000000, -0.0061345000000000 ] - [ 0.0001769100000000, -0.0001692500000000, -0.0001128600000000 ] - [ -0.0001946700000000, 0.0004159400000000, -0.0000495900000000 ] - [ -0.0013141100000000, -0.0046451500000000, -0.0059839600000000 ] - [ -0.0011436200000000, 0.0029266400000000, -0.0039913700000000 ] - [ -0.0001424300000000, -0.0006797300000000, -0.0000843000000000 ] - [ -0.0006948500000000, -0.0002930700000000, -0.0001848100000000 ] - [ -0.0008117000000000, 0.0003728300000000, -0.0002522100000000 ] - [ -0.0427902500000000, -0.0003293500000000, -0.0336217200000000 ] - [ 0.0000807100000000, 0.0000212800000000, -0.0000452300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002975300000000, 0.0022667600000000, 0.0003455200000000 ] - [ -0.0066203500000000, 0.0036620900000000, -0.0115801300000000 ] - [ 0.0065569900000000, 0.0052256800000000, 0.0103518800000000 ] - [ -0.0002313800000000, 0.0022386700000000, -0.0003445700000000 ] - [ 0.0000199900000000, 0.0020799600000000, -0.0003649400000000 ] - [ -0.0001638000000000, -0.0019071300000000, 0.0038015500000000 ] - [ 0.0003285900000000, -0.0017418600000000, -0.0031080100000000 ] - [ -0.0000731300000000, 0.0020666300000000, 0.0003591200000000 ] - [ 0.0018316700000000, 0.0038230500000000, -0.0002696100000000 ] - [ -0.0029123900000000, 0.0044040100000000, -0.0000548600000000 ] - [ 0.0171684500000000, 0.0155673700000000, -0.0122643200000000 ] - [ -0.0002246800000000, 0.0035589300000000, 0.0000767600000000 ] - [ -0.0255221200000000, -0.2751083300000000, -0.0085647500000000 ] - [ -0.0001173300000000, 0.0031033100000000, 0.0000166400000000 ] - [ -0.0001467900000000, 0.0032427400000000, 0.0005278000000000 ] - [ 0.0018700900000000, -0.0031940600000000, -0.0044062500000000 ] - [ -0.0023377100000000, -0.0025607000000000, 0.0047390400000000 ] - [ 0.0001426700000000, 0.0031649200000000, -0.0005133400000000 ] - [ 0.0000297700000000, 0.0031580700000000, -0.0000464600000000 ] - [ -0.0004287000000000, -0.0024645800000000, -0.0002925300000000 ] - [ 0.0005935900000000, -0.0021836300000000, 0.0004992000000000 ] - [ -0.0000247300000000, 0.0028364000000000, 0.0000392200000000 ] - [ -0.0002687800000000, -0.0123476200000000, -0.0001988600000000 ] - [ 0.0001256300000000, 0.0028825600000000, -0.0000138700000000 ] - [ -0.0008451200000000, 0.0050318600000000, -0.0018084400000000 ] - [ 0.0018599500000000, 0.0054800200000000, 0.0020690600000000 ] - [ -0.0000021700000000, 0.0002511000000000, -0.0000011000000000 ] - [ 0.0000452600000000, -0.0017303800000000, 0.0002901700000000 ] - [ 0.0009156300000000, -0.0092807700000000, 0.0003917900000000 ] - [ -0.0000021900000000, 0.0032424100000000, 0.0002222200000000 ] - [ -0.0018436300000000, 0.0059500300000000, 0.0021300400000000 ] - [ 0.0019410300000000, 0.0057546900000000, -0.0017053600000000 ] - [ -0.0004275900000000, 0.0017507000000000, -0.0007175900000000 ] - [ 0.0000197800000000, 0.0015792100000000, 0.0010246800000000 ] - [ -0.0000767600000000, -0.0052054000000000, -0.0001336900000000 ] - [ -0.0001065200000000, 0.0033247600000000, -0.0000872900000000 ] - [ -0.0000614900000000, -0.0101627000000000, 0.0002747300000000 ] - [ 0.0001019300000000, 0.0033284500000000, 0.0001039800000000 ] - [ -0.0008060000000000, 0.0013168200000000, 0.0012223100000000 ] - [ 0.0012158300000000, 0.0012082100000000, -0.0014856800000000 ] - [ 0.0000898200000000, 0.0017786900000000, -0.0009370100000000 ] - [ -0.0002215400000000, 0.0017232100000000, 0.0004799800000000 ] - [ 0.0002574100000000, -0.0071757300000000, -0.0009233900000000 ] - [ -0.0000009000000000, 0.0032715100000000, -0.0002239700000000 ] - [ 0.0002730000000000, 0.0040075200000000, -0.0000666500000000 ] - [ -0.0231101800000000, 0.0204241300000000, 0.0181499400000000 ] - [ -0.0003719300000000, 0.0029281400000000, 0.0001383400000000 ] - [ -0.0001210500000000, -0.0009162400000000, -0.0000330800000000 ] - [ -0.0004387800000000, -0.0009298900000000, -0.0007251400000000 ] - [ 0.0008642900000000, -0.0007838000000000, 0.0008130700000000 ] - [ -0.0052205700000000, -0.0061564000000000, -0.0005507400000000 ] - [ -0.0001946600000000, -0.0027477000000000, -0.0000312900000000 ] - [ 0.0005261800000000, -0.0026176700000000, 0.0002061400000000 ] - [ 0.0076076200000000, -0.0084790100000000, 0.0005999500000000 ] - [ 0.0006307500000000, -0.0023823700000000, -0.0002234500000000 ] - [ -0.0528629700000000, 0.0975644300000000, -0.0065318300000000 ] - [ 0.0735276500000000, 0.1193095100000000, 0.0178289400000000 ] - [ -0.0006766500000000, -0.0023749700000000, 0.0000666300000000 ] - [ -0.0004713800000000, -0.0021906000000000, 0.0005660100000000 ] - [ 0.0028423900000000, 0.0038635200000000, 0.0006599600000000 ] - [ -0.0036083800000000, 0.0035462000000000, -0.0007597700000000 ] - [ 0.0004185200000000, -0.0020188000000000, -0.0003186300000000 ] - [ 0.0005107700000000, -0.0028713700000000, -0.0003397000000000 ] - [ -0.0005851600000000, -0.0029584600000000, 0.0003370500000000 ] - [ -0.0000008400000000, -0.0011620000000000, -0.0003053400000000 ] - [ 0.0062848900000000, 0.0167599600000000, -0.0057092700000000 ] - [ -0.0002464000000000, -0.0019305000000000, 0.0005315500000000 ] - [ 0.0006811600000000, 0.0001221800000000, 0.0007303600000000 ] - [ -0.0005711400000000, 0.0000504000000000, -0.0007627400000000 ] - [ 0.0002845800000000, -0.0016245000000000, -0.0004933000000000 ] - [ -0.0003717400000000, -0.0030090700000000, -0.0011112800000000 ] - [ -0.0017444500000000, -0.0031271800000000, 0.0035313900000000 ] - [ 0.0016581000000000, -0.0034443700000000, -0.0032397100000000 ] - [ 0.0003119500000000, -0.0028210300000000, 0.0011107500000000 ] - [ -0.0003267400000000, -0.0023056200000000, -0.0007352600000000 ] - [ 0.0005781700000000, 0.0050599900000000, 0.0047336100000000 ] - [ -0.0002892900000000, 0.0046723100000000, -0.0051835500000000 ] - [ 0.0003391900000000, -0.0023519100000000, 0.0006540200000000 ] - [ 0.0013612300000000, -0.0010524500000000, -0.0008777500000000 ] - [ -0.0019791400000000, -0.0009658400000000, 0.0008164600000000 ] - [ 0.0000095100000000, -0.0011675500000000, -0.0001143700000000 ] - [ 0.0000859300000000, 0.0020595400000000, 0.0000777200000000 ] - [ -0.0000094900000000, -0.0011564200000000, 0.0001119300000000 ] - [ -0.0005366600000000, 0.0020082900000000, 0.0001742700000000 ] - [ 0.0002536700000000, -0.0006123600000000, 0.0000651800000000 ] - [ 0.0004201500000000, -0.0005410800000000, -0.0000217500000000 ] - [ 0.0003190500000000, -0.0021968400000000, 0.0005516500000000 ] - [ -0.0010591100000000, 0.0039858500000000, -0.0019134600000000 ] - [ 0.0011644200000000, 0.0043998700000000, 0.0022254300000000 ] - [ -0.0003386700000000, -0.0022631300000000, -0.0004831400000000 ] - [ 0.0002904100000000, -0.0017248100000000, 0.0004010000000000 ] - [ 0.0002449500000000, 0.0000996600000000, -0.0002424700000000 ] - [ -0.0000612800000000, 0.0001076900000000, 0.0000250100000000 ] - [ -0.0002344500000000, -0.0015818100000000, -0.0003970200000000 ] - [ 0.0003576700000000, -0.0018749800000000, -0.0005886200000000 ] - [ -0.0002939500000000, 0.0005186900000000, -0.0002053400000000 ] - [ 0.0001423200000000, 0.0005359700000000, 0.0001571400000000 ] - [ -0.0004114600000000, -0.0015810000000000, 0.0005458800000000 ] - [ 0.0000056200000000, -0.0010918600000000, 0.0003009200000000 ] - [ 0.0001965400000000, 0.0034037900000000, 0.0002696600000000 ] - [ -0.0006589800000000, -0.0010563900000000, 0.0009339100000000 ] - [ 0.0007164100000000, -0.0011381200000000, -0.0009356500000000 ] - [ 0.0014667500000000, 0.0036684100000000, -0.0004425400000000 ] - [ -0.0004033400000000, -0.0020385800000000, 0.0003118400000000 ] - [ 0.0004535200000000, -0.0022093400000000, -0.0005527900000000 ] - [ -0.0017613100000000, 0.0038236600000000, 0.0002326700000000 ] - [ -0.0007614100000000, -0.0022832100000000, 0.0002958900000000 ] - [ 0.0087456000000000, 0.0055001900000000, -0.0081622700000000 ] - [ -0.0063772900000000, 0.0049127200000000, 0.0063719000000000 ] - [ 0.0007800400000000, -0.0022478700000000, -0.0001286200000000 ] - [ -0.0009484500000000, -0.0027368400000000, 0.0000549600000000 ] - [ 0.0008637700000000, -0.0055204200000000, -0.0063831800000000 ] - [ -0.0010010600000000, -0.0040921600000000, 0.0048637100000000 ] - [ 0.0006475600000000, -0.0028275600000000, -0.0002718000000000 ] - [ 0.0006665900000000, -0.0010652900000000, 0.0011321500000000 ] - [ -0.0011141200000000, -0.0009508700000000, -0.0012569600000000 ] - [ 0.0005644900000000, 0.0195977600000000, 0.0005691600000000 ] - [ 0.0001212600000000, -0.0009600300000000, 0.0000326200000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003232900000000, -0.0022042700000000, -0.0002298900000000 ] - [ 0.0065488100000000, -0.0036038800000000, 0.0116780300000000 ] - [ -0.0066357900000000, -0.0052847200000000, -0.0103331200000000 ] - [ 0.0002038600000000, -0.0023052800000000, 0.0003678900000000 ] - [ 0.0000103500000000, -0.0020238800000000, 0.0002391500000000 ] - [ 0.0001933400000000, 0.0019447500000000, -0.0039161900000000 ] - [ -0.0003163500000000, 0.0017005500000000, 0.0031116400000000 ] - [ 0.0000879100000000, -0.0021309700000000, -0.0003671700000000 ] - [ -0.0021989400000000, -0.0037714700000000, 0.0002006600000000 ] - [ 0.0025445800000000, -0.0043734600000000, -0.0000132600000000 ] - [ -0.0173472400000000, -0.0152993900000000, 0.0122496600000000 ] - [ 0.0002198000000000, -0.0032494000000000, -0.0000785400000000 ] - [ 0.0356306000000000, 0.2755910100000000, 0.0101636500000000 ] - [ -0.0000674400000000, -0.0030951000000000, -0.0000294500000000 ] - [ 0.0001484400000000, -0.0034884900000000, -0.0005320900000000 ] - [ -0.0018592100000000, 0.0029115100000000, 0.0043812400000000 ] - [ 0.0023483800000000, 0.0022585500000000, -0.0047670600000000 ] - [ -0.0001414900000000, -0.0035006600000000, 0.0005083600000000 ] - [ -0.0000301800000000, -0.0029331700000000, 0.0000471900000000 ] - [ 0.0004280300000000, 0.0026641300000000, 0.0002948300000000 ] - [ -0.0005931400000000, 0.0019534900000000, -0.0004947600000000 ] - [ 0.0000238700000000, -0.0030940800000000, -0.0000379300000000 ] - [ 0.0004493000000000, 0.0123492900000000, 0.0002018100000000 ] - [ 0.0000597200000000, -0.0028752200000000, 0.0000274600000000 ] - [ 0.0012154700000000, -0.0050111300000000, 0.0018912000000000 ] - [ -0.0014905200000000, -0.0054199100000000, -0.0019851500000000 ] - [ 0.0000017100000000, -0.0003035800000000, 0.0000018200000000 ] - [ -0.0001174100000000, 0.0016769900000000, -0.0003124400000000 ] - [ -0.0008585800000000, 0.0092757000000000, 0.0000301600000000 ] - [ 0.0000599200000000, -0.0032427700000000, 0.0001980200000000 ] - [ 0.0019072000000000, -0.0059759500000000, -0.0014138300000000 ] - [ -0.0018763000000000, -0.0057292100000000, 0.0024228700000000 ] - [ -0.0000219000000000, -0.0014757000000000, 0.0008616000000000 ] - [ -0.0004691100000000, -0.0013258900000000, -0.0008818200000000 ] - [ -0.0001400100000000, 0.0052353500000000, -0.0000180700000000 ] - [ -0.0000844300000000, -0.0032946800000000, -0.0000992300000000 ] - [ 0.0002444700000000, 0.0101937200000000, -0.0000977900000000 ] - [ 0.0000911100000000, -0.0032990300000000, 0.0000813000000000 ] - [ 0.0012711700000000, -0.0010430800000000, -0.0013608500000000 ] - [ -0.0007511000000000, -0.0009544400000000, 0.0013466700000000 ] - [ -0.0001435300000000, -0.0017713600000000, 0.0001975600000000 ] - [ 0.0001678300000000, -0.0017294000000000, -0.0012200100000000 ] - [ -0.0003204300000000, 0.0071749800000000, 0.0004519000000000 ] - [ -0.0000564300000000, -0.0032712500000000, -0.0001962200000000 ] - [ -0.0002792500000000, -0.0039183000000000, 0.0000629400000000 ] - [ 0.0229083800000000, -0.0202465500000000, -0.0181767300000000 ] - [ 0.0000997500000000, -0.0028593000000000, -0.0001782500000000 ] - [ -0.0001506000000000, 0.0009838500000000, -0.0000131300000000 ] - [ 0.0007032600000000, 0.0009123700000000, 0.0006356000000000 ] - [ -0.0005996300000000, 0.0007767200000000, -0.0008997200000000 ] - [ 0.0052248500000000, 0.0061882600000000, 0.0003990300000000 ] - [ 0.0002215000000000, 0.0028396800000000, -0.0001265000000000 ] - [ -0.0002772500000000, 0.0025567800000000, -0.0002519600000000 ] - [ -0.0074050800000000, 0.0084899700000000, -0.0006466100000000 ] - [ -0.0008295100000000, 0.0024007900000000, 0.0002100700000000 ] - [ 0.0487744900000000, -0.0930974300000000, 0.0060748100000000 ] - [ -0.0785463800000000, -0.1241917100000000, -0.0190598400000000 ] - [ 0.0005371600000000, 0.0023296200000000, -0.0000697600000000 ] - [ 0.0003845800000000, 0.0020160700000000, -0.0003626700000000 ] - [ -0.0029266500000000, -0.0040218000000000, -0.0004597900000000 ] - [ 0.0035593400000000, -0.0033707600000000, 0.0010042400000000 ] - [ -0.0004659100000000, 0.0022102100000000, 0.0005702500000000 ] - [ -0.0003899900000000, 0.0027933200000000, 0.0001242700000000 ] - [ 0.0007073400000000, 0.0028454500000000, -0.0005519100000000 ] - [ -0.0000191100000000, 0.0011910900000000, -0.0003142700000000 ] - [ -0.0070761600000000, -0.0168607600000000, 0.0057651700000000 ] - [ 0.0002903100000000, 0.0015565900000000, -0.0004711800000000 ] - [ -0.0006321300000000, -0.0004800700000000, -0.0006727500000000 ] - [ 0.0006195600000000, 0.0000675400000000, 0.0007522600000000 ] - [ -0.0002408100000000, 0.0017578800000000, 0.0004866000000000 ] - [ 0.0003511100000000, 0.0029451400000000, 0.0011602900000000 ] - [ 0.0017252100000000, 0.0030464200000000, -0.0034592800000000 ] - [ -0.0017161800000000, 0.0036540700000000, 0.0031343600000000 ] - [ -0.0003721500000000, 0.0030124700000000, -0.0012380200000000 ] - [ 0.0004083200000000, 0.0023263500000000, 0.0006820700000000 ] - [ -0.0004934800000000, -0.0050144700000000, -0.0047822900000000 ] - [ 0.0002071100000000, -0.0047614300000000, 0.0051038500000000 ] - [ -0.0004260000000000, 0.0022851300000000, -0.0007393900000000 ] - [ -0.0019815200000000, 0.0010287500000000, 0.0007769900000000 ] - [ 0.0013589700000000, 0.0009412200000000, -0.0009162700000000 ] - [ 0.0000363900000000, 0.0011339300000000, -0.0000952100000000 ] - [ -0.0000142400000000, -0.0020930900000000, -0.0002511100000000 ] - [ -0.0000377600000000, 0.0011231500000000, 0.0000975100000000 ] - [ 0.0005296500000000, -0.0020422400000000, 0.0000215000000000 ] - [ 0.0003524800000000, 0.0005855300000000, 0.0000433800000000 ] - [ 0.0001852500000000, 0.0005207100000000, 0.0001293700000000 ] - [ -0.0004001500000000, 0.0022173700000000, -0.0004971000000000 ] - [ 0.0009810900000000, -0.0039336500000000, 0.0019391000000000 ] - [ -0.0010737200000000, -0.0045009800000000, -0.0021662900000000 ] - [ 0.0004265200000000, 0.0021977200000000, 0.0005694800000000 ] - [ -0.0002672000000000, 0.0016508300000000, -0.0004431400000000 ] - [ -0.0002268300000000, -0.0001564300000000, 0.0001960000000000 ] - [ 0.0001201900000000, 0.0000792800000000, 0.0001090300000000 ] - [ 0.0002955400000000, 0.0017848900000000, 0.0005331600000000 ] - [ -0.0004043700000000, 0.0015003600000000, 0.0005261500000000 ] - [ 0.0002455600000000, -0.0008741900000000, 0.0001469500000000 ] - [ -0.0001906300000000, -0.0004191700000000, -0.0001515400000000 ] - [ 0.0003658400000000, 0.0017164100000000, -0.0005426900000000 ] - [ 0.0000141200000000, 0.0011201000000000, 0.0003195800000000 ] - [ -0.0001645600000000, -0.0033750700000000, 0.0003552800000000 ] - [ 0.0005393000000000, 0.0009565500000000, -0.0007106100000000 ] - [ -0.0008390800000000, 0.0010475300000000, 0.0011561500000000 ] - [ -0.0014297500000000, -0.0035056300000000, 0.0002032100000000 ] - [ 0.0004505400000000, 0.0022293100000000, -0.0005654600000000 ] - [ -0.0003692600000000, 0.0020364400000000, 0.0003499600000000 ] - [ 0.0018378800000000, -0.0039712700000000, -0.0004210500000000 ] - [ 0.0009628000000000, 0.0023017400000000, -0.0002822700000000 ] - [ -0.0085230700000000, -0.0054643300000000, 0.0081678400000000 ] - [ 0.0065333200000000, -0.0049783400000000, -0.0063641300000000 ] - [ -0.0006370600000000, 0.0022026700000000, 0.0001328900000000 ] - [ 0.0007093200000000, 0.0026890300000000, -0.0000073900000000 ] - [ -0.0010796000000000, 0.0054575500000000, 0.0064165300000000 ] - [ 0.0010031200000000, 0.0041901200000000, -0.0047257500000000 ] - [ -0.0006672700000000, 0.0029094700000000, 0.0004276000000000 ] - [ -0.0009425500000000, 0.0010526300000000, -0.0010554800000000 ] - [ 0.0008387600000000, 0.0009385000000000, 0.0013328500000000 ] - [ -0.0005780000000000, -0.0195370200000000, -0.0010299900000000 ] - [ 0.0001509400000000, 0.0010272600000000, 0.0000134200000000 ]- atom: 13 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0001461500000000, 0.0000717600000000, -0.0000623700000000 ] - [ 0.0017094900000000, -0.0008901900000000, -0.0047469900000000 ] - [ 0.0013203200000000, 0.0005742800000000, -0.0033073500000000 ] - [ 0.0001861800000000, -0.0000133500000000, -0.0001475400000000 ] - [ -0.0001019800000000, 0.0000118900000000, 0.0001800600000000 ] - [ -0.0030870600000000, -0.0001588200000000, 0.0052519200000000 ] - [ -0.0028644900000000, -0.0000143400000000, 0.0051709000000000 ] - [ -0.0001349200000000, 0.0000303300000000, 0.0002732200000000 ] - [ -0.0011163400000000, -0.0007556800000000, -0.0002439400000000 ] - [ -0.0015777400000000, 0.0013723100000000, -0.0002829800000000 ] - [ -0.0075926100000000, -0.0110566300000000, 0.0001669400000000 ] - [ -0.0000335800000000, 0.0005208300000000, -0.0001031700000000 ] - [ 0.1657205400000000, 0.0065219100000000, -0.2003806100000000 ] - [ 0.0000024700000000, 0.0000409600000000, -0.0000781800000000 ] - [ 0.0000381500000000, 0.0001332300000000, 0.0001538900000000 ] - [ 0.0032694500000000, -0.0078346800000000, 0.0049994600000000 ] - [ 0.0035922400000000, 0.0070069300000000, 0.0044225200000000 ] - [ 0.0000347200000000, -0.0003953700000000, 0.0001691800000000 ] - [ -0.0001193000000000, 0.0001724400000000, 0.0000956000000000 ] - [ -0.0005481100000000, 0.0009751900000000, 0.0032579900000000 ] - [ -0.0005132400000000, -0.0010767900000000, 0.0032356700000000 ] - [ -0.0001272700000000, -0.0001318000000000, 0.0000891300000000 ] - [ -0.0069942100000000, 0.0000168900000000, 0.0001204300000000 ] - [ -0.0000041700000000, 0.0000422500000000, 0.0000371000000000 ] - [ 0.0012732500000000, -0.0018332000000000, -0.0004843000000000 ] - [ 0.0015553700000000, 0.0022817000000000, -0.0003575300000000 ] - [ -0.0000005300000000, -0.0000229300000000, -0.0000111500000000 ] - [ -0.0001510300000000, 0.0003784600000000, -0.0132556600000000 ] - [ -0.0095221800000000, -0.0000047100000000, -0.0025529100000000 ] - [ -0.0000412800000000, 0.0000567800000000, 0.0001608300000000 ] - [ 0.0002077200000000, 0.0018999300000000, -0.0010331300000000 ] - [ 0.0002327400000000, -0.0020975200000000, -0.0013431400000000 ] - [ 0.0004583700000000, 0.0000619600000000, 0.0005248600000000 ] - [ 0.0005755900000000, 0.0001835000000000, 0.0006336500000000 ] - [ -0.0274411800000000, 0.0005209300000000, 0.0360099300000000 ] - [ -0.0001398800000000, 0.0000435800000000, -0.0001749700000000 ] - [ 0.0067829400000000, 0.0004269200000000, 0.0074408500000000 ] - [ 0.0001519500000000, 0.0000464700000000, 0.0001917400000000 ] - [ -0.0006412700000000, 0.0009979000000000, 0.0000373100000000 ] - [ -0.0008157700000000, -0.0007196900000000, 0.0000351200000000 ] - [ 0.0001845900000000, 0.0006905700000000, 0.0006204000000000 ] - [ 0.0002171800000000, -0.0007873900000000, 0.0008549900000000 ] - [ 0.0036671300000000, -0.0000463100000000, 0.0268277300000000 ] - [ 0.0000313100000000, 0.0000538500000000, -0.0001787300000000 ] - [ -0.0000788300000000, -0.0002488000000000, -0.0001647500000000 ] - [ -0.0108363000000000, 0.0145321800000000, 0.0035013700000000 ] - [ 0.0051783000000000, 0.0000003200000000, 0.0020250900000000 ] - [ -0.0001049500000000, 0.0000230700000000, 0.0000179700000000 ] - [ 0.0006974700000000, -0.0000818300000000, 0.0002731700000000 ] - [ 0.0008904400000000, 0.0000525800000000, 0.0003901000000000 ] - [ 0.0012797500000000, 0.0013607800000000, 0.0005482300000000 ] - [ 0.0000348400000000, -0.0004319900000000, 0.0000488600000000 ] - [ 0.0001604100000000, 0.0002088500000000, 0.0000645100000000 ] - [ 0.0028391600000000, -0.0028126800000000, 0.0007828900000000 ] - [ -0.0001651200000000, 0.0000540400000000, 0.0001037800000000 ] - [ -0.0202351900000000, 0.0186736200000000, 0.0153840600000000 ] - [ -0.0242932300000000, -0.0209711700000000, 0.0151736000000000 ] - [ -0.0001611700000000, -0.0001147300000000, 0.0001036800000000 ] - [ -0.0000080000000000, -0.0001114100000000, 0.0001245500000000 ] - [ 0.0024475100000000, 0.0012299000000000, -0.0000766100000000 ] - [ 0.0023971500000000, -0.0011232900000000, -0.0002451700000000 ] - [ 0.0000234900000000, 0.0000596800000000, 0.0001443000000000 ] - [ -0.0004516300000000, 0.0000021300000000, 0.0011311400000000 ] - [ -0.0005840400000000, -0.0001657700000000, 0.0013243400000000 ] - [ -0.0000432900000000, 0.0000000500000000, -0.0002513900000000 ] - [ -0.1037946300000000, -0.0067953100000000, 0.1028328600000000 ] - [ -0.0000488400000000, -0.0001557600000000, -0.0000683200000000 ] - [ -0.0005075700000000, -0.0001249600000000, -0.0002536000000000 ] - [ -0.0004511300000000, 0.0000903200000000, -0.0003232100000000 ] - [ -0.0000636500000000, 0.0000050600000000, -0.0001156600000000 ] - [ -0.0001405900000000, -0.0005640600000000, 0.0000687600000000 ] - [ -0.0018713500000000, 0.0021964000000000, 0.0015654800000000 ] - [ -0.0017438200000000, -0.0015873400000000, 0.0012953200000000 ] - [ -0.0001620700000000, 0.0006761800000000, 0.0000070400000000 ] - [ -0.0000252000000000, -0.0000836900000000, -0.0000695200000000 ] - [ -0.0035294200000000, 0.0008424600000000, -0.0035562700000000 ] - [ -0.0033420300000000, -0.0007915000000000, -0.0026762800000000 ] - [ -0.0001045000000000, 0.0000303700000000, -0.0000798700000000 ] - [ -0.0000486400000000, -0.0006572200000000, -0.0000603000000000 ] - [ 0.0000283700000000, 0.0007157700000000, -0.0000458100000000 ] - [ -0.0000432800000000, -0.0000274500000000, -0.0001287600000000 ] - [ -0.0059038000000000, -0.0001002000000000, -0.0058613100000000 ] - [ 0.0000461400000000, -0.0000281800000000, 0.0001253900000000 ] - [ 0.0144773600000000, -0.0000795800000000, -0.0024347400000000 ] - [ -0.0001247400000000, -0.0002076700000000, -0.0000964900000000 ] - [ -0.0001606000000000, 0.0002155400000000, -0.0001530800000000 ] - [ -0.0000010200000000, -0.0000807000000000, 0.0000124400000000 ] - [ 0.0026639500000000, 0.0065136600000000, -0.0115224800000000 ] - [ 0.0025394800000000, -0.0070953300000000, -0.0112456400000000 ] - [ 0.0000791700000000, 0.0000323300000000, 0.0000184100000000 ] - [ 0.0000356800000000, -0.0002762700000000, -0.0001807800000000 ] - [ -0.0000359800000000, 0.0018216300000000, -0.0020651900000000 ] - [ -0.0000717300000000, -0.0015705900000000, -0.0019057400000000 ] - [ 0.0000405000000000, 0.0003350200000000, -0.0001316100000000 ] - [ 0.0001522900000000, -0.0004360300000000, -0.0002159700000000 ] - [ 0.0011668700000000, -0.0000274600000000, -0.0009615700000000 ] - [ 0.0011333300000000, -0.0001562400000000, -0.0008526900000000 ] - [ 0.0001840200000000, 0.0002905400000000, -0.0001668000000000 ] - [ 0.0000422800000000, 0.0000012000000000, 0.0002566500000000 ] - [ -0.0000682600000000, -0.0001670700000000, -0.0024430400000000 ] - [ 0.0002181600000000, 0.0000693200000000, -0.0004546400000000 ] - [ 0.0003322100000000, -0.0002394800000000, -0.0006738900000000 ] - [ 0.0012121800000000, 0.0027863800000000, -0.0058451800000000 ] - [ 0.0000113500000000, 0.0000622200000000, -0.0001886200000000 ] - [ 0.0000416600000000, -0.0001102400000000, -0.0001694300000000 ] - [ 0.0011518900000000, -0.0026815900000000, -0.0059422800000000 ] - [ 0.0001970300000000, 0.0000772500000000, -0.0000387900000000 ] - [ 0.0038745900000000, -0.0014595400000000, -0.0017367500000000 ] - [ 0.0044193900000000, 0.0019167500000000, -0.0018485200000000 ] - [ 0.0001762000000000, -0.0001445800000000, -0.0000598100000000 ] - [ -0.0000765900000000, 0.0005117100000000, 0.0001128400000000 ] - [ -0.0000350300000000, -0.0029269700000000, -0.0013603300000000 ] - [ 0.0001544000000000, 0.0025721800000000, -0.0007105500000000 ] - [ 0.0000258900000000, -0.0006478400000000, 0.0000796200000000 ] - [ -0.0006242700000000, 0.0003684800000000, -0.0003735900000000 ] - [ -0.0007254900000000, -0.0004561200000000, -0.0004848500000000 ] - [ 0.0024117600000000, 0.0000947900000000, 0.0484971200000000 ] - [ 0.0001116100000000, 0.0000235300000000, 0.0000095100000000 ]- atom: 13 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0001729100000000, -0.0000259200000000, 0.0001797800000000 ] - [ -0.0017386700000000, 0.0009206900000000, 0.0049155100000000 ] - [ -0.0013526000000000, -0.0006044100000000, 0.0033796100000000 ] - [ -0.0002140800000000, -0.0000320600000000, 0.0001799500000000 ] - [ 0.0001346300000000, 0.0000266800000000, -0.0003083100000000 ] - [ 0.0031327600000000, 0.0002232500000000, -0.0053793200000000 ] - [ 0.0028983700000000, -0.0000530200000000, -0.0051773000000000 ] - [ 0.0001534300000000, -0.0000718600000000, -0.0002934900000000 ] - [ 0.0007596200000000, 0.0007900400000000, 0.0001516100000000 ] - [ 0.0012248600000000, -0.0013545600000000, 0.0001919500000000 ] - [ 0.0076237900000000, 0.0113327600000000, -0.0002643000000000 ] - [ 0.0000330800000000, -0.0001707900000000, 0.0001022400000000 ] - [ -0.1758776700000000, -0.0074079200000000, 0.2059858600000000 ] - [ -0.0001688500000000, -0.0000197200000000, 0.0000566200000000 ] - [ -0.0000387500000000, -0.0004419700000000, -0.0001522300000000 ] - [ -0.0032745200000000, 0.0075749000000000, -0.0050119700000000 ] - [ -0.0036056700000000, -0.0073278400000000, -0.0044295700000000 ] - [ -0.0000353300000000, 0.0001178200000000, -0.0001679800000000 ] - [ 0.0001196700000000, -0.0000102300000000, -0.0000955400000000 ] - [ 0.0005546500000000, -0.0008093800000000, -0.0032424300000000 ] - [ 0.0005210200000000, 0.0008773900000000, -0.0032201000000000 ] - [ 0.0001276700000000, -0.0000700600000000, -0.0000889900000000 ] - [ 0.0071102600000000, 0.0000278700000000, -0.0001278200000000 ] - [ 0.0001716800000000, -0.0000217500000000, -0.0000155600000000 ] - [ -0.0009050200000000, 0.0018649500000000, 0.0005640000000000 ] - [ -0.0011918400000000, -0.0022598300000000, 0.0004379400000000 ] - [ -0.0000001000000000, -0.0000293300000000, 0.0000123000000000 ] - [ 0.0000984200000000, -0.0004294900000000, 0.0132649300000000 ] - [ 0.0095843500000000, 0.0000309500000000, 0.0029456200000000 ] - [ 0.0000828900000000, -0.0000349700000000, 0.0002390900000000 ] - [ -0.0001760600000000, -0.0019234500000000, 0.0017283000000000 ] - [ -0.0002005700000000, 0.0020764000000000, 0.0020413300000000 ] - [ -0.0009243300000000, 0.0001817800000000, -0.0003393500000000 ] - [ -0.0010419200000000, 0.0000627500000000, -0.0004500000000000 ] - [ 0.0276025500000000, -0.0004408300000000, -0.0363670300000000 ] - [ -0.0000404600000000, 0.0000050400000000, -0.0000138800000000 ] - [ -0.0066590800000000, -0.0003777500000000, -0.0072749000000000 ] - [ 0.0000285600000000, 0.0000021100000000, -0.0000016500000000 ] - [ 0.0011039900000000, -0.0007583300000000, -0.0002185800000000 ] - [ 0.0012796400000000, 0.0009686600000000, -0.0002150200000000 ] - [ -0.0002234900000000, -0.0007276900000000, -0.0013073800000000 ] - [ -0.0002539500000000, 0.0007755600000000, -0.0015442800000000 ] - [ -0.0035452700000000, 0.0000733900000000, -0.0271851300000000 ] - [ -0.0000724700000000, -0.0000320200000000, -0.0002222400000000 ] - [ 0.0000784200000000, 0.0002727600000000, 0.0001626800000000 ] - [ 0.0109028000000000, -0.0144432500000000, -0.0036538600000000 ] - [ -0.0054291600000000, 0.0000693600000000, -0.0020326300000000 ] - [ -0.0001786600000000, 0.0000501500000000, -0.0000340700000000 ] - [ -0.0004220000000000, 0.0000796900000000, -0.0003152300000000 ] - [ -0.0006167800000000, -0.0000525600000000, -0.0004339800000000 ] - [ -0.0012897400000000, -0.0013212700000000, -0.0006951400000000 ] - [ -0.0000166600000000, 0.0005006100000000, -0.0002055600000000 ] - [ 0.0000873500000000, -0.0002502000000000, -0.0001123600000000 ] - [ -0.0026424600000000, 0.0028186600000000, -0.0008231100000000 ] - [ -0.0000418300000000, -0.0000370700000000, -0.0001273100000000 ] - [ 0.0202986900000000, -0.0188166900000000, -0.0156394000000000 ] - [ 0.0247320800000000, 0.0214237600000000, -0.0154023800000000 ] - [ 0.0000144300000000, 0.0000568400000000, -0.0001083000000000 ] - [ -0.0000646000000000, -0.0000534300000000, 0.0000691400000000 ] - [ -0.0025296100000000, -0.0013910500000000, 0.0002610700000000 ] - [ -0.0024474200000000, 0.0012981800000000, 0.0004738600000000 ] - [ -0.0000650800000000, 0.0001249400000000, 0.0000939600000000 ] - [ 0.0005935300000000, -0.0000925800000000, -0.0013197600000000 ] - [ 0.0007277800000000, 0.0000868000000000, -0.0015149200000000 ] - [ 0.0000097100000000, 0.0000267600000000, -0.0003817300000000 ] - [ 0.1114666000000000, 0.0073336900000000, -0.1094472400000000 ] - [ 0.0000975600000000, -0.0002011800000000, 0.0001282500000000 ] - [ 0.0005571800000000, -0.0002346200000000, 0.0003105400000000 ] - [ 0.0004948300000000, 0.0000290600000000, 0.0003118800000000 ] - [ 0.0001067000000000, 0.0001137700000000, 0.0001075200000000 ] - [ 0.0001151500000000, 0.0005103100000000, -0.0000155100000000 ] - [ 0.0018535100000000, -0.0022625100000000, -0.0015272600000000 ] - [ 0.0016973300000000, 0.0017753900000000, -0.0014432000000000 ] - [ 0.0001062700000000, -0.0004947300000000, -0.0001395000000000 ] - [ 0.0001051500000000, 0.0001183400000000, 0.0000278000000000 ] - [ 0.0036366000000000, -0.0008224900000000, 0.0035350300000000 ] - [ 0.0032901300000000, 0.0007231300000000, 0.0026088800000000 ] - [ 0.0000269000000000, -0.0001068300000000, -0.0000009500000000 ] - [ -0.0005582900000000, 0.0006366100000000, -0.0000462200000000 ] - [ -0.0006358600000000, -0.0007399400000000, -0.0000609100000000 ] - [ 0.0000850100000000, -0.0000055300000000, -0.0000688900000000 ] - [ 0.0059907700000000, 0.0000669100000000, 0.0057243000000000 ] - [ -0.0000884900000000, -0.0000043800000000, 0.0000723300000000 ] - [ -0.0144854500000000, 0.0000409900000000, 0.0026056700000000 ] - [ 0.0007374500000000, 0.0001882500000000, 0.0001999000000000 ] - [ 0.0007717800000000, -0.0002395000000000, 0.0002572800000000 ] - [ -0.0000796300000000, 0.0001156500000000, 0.0000290600000000 ] - [ -0.0027686200000000, -0.0064933100000000, 0.0115728200000000 ] - [ -0.0024855500000000, 0.0070299500000000, 0.0113424800000000 ] - [ -0.0000001700000000, -0.0001089300000000, 0.0000609200000000 ] - [ -0.0000093400000000, 0.0002264400000000, 0.0001235500000000 ] - [ 0.0000664400000000, -0.0018902600000000, 0.0020106600000000 ] - [ 0.0001320100000000, 0.0017696700000000, 0.0020368500000000 ] - [ 0.0000140800000000, -0.0001549600000000, 0.0002633500000000 ] - [ -0.0002016200000000, 0.0000797900000000, 0.0001560400000000 ] - [ -0.0012195500000000, -0.0003359600000000, 0.0008978600000000 ] - [ -0.0011801700000000, 0.0002805200000000, 0.0008552300000000 ] - [ -0.0002261100000000, -0.0001720100000000, 0.0001735300000000 ] - [ -0.0000083500000000, 0.0000251700000000, 0.0003755900000000 ] - [ 0.0001170900000000, 0.0001899100000000, 0.0030706400000000 ] - [ -0.0003605500000000, -0.0001522100000000, 0.0006476700000000 ] - [ -0.0004761000000000, 0.0001533200000000, 0.0008686300000000 ] - [ -0.0011981600000000, -0.0026045600000000, 0.0056030300000000 ] - [ 0.0000306500000000, 0.0001220800000000, -0.0000509600000000 ] - [ 0.0000301900000000, -0.0000546700000000, -0.0000232000000000 ] - [ -0.0011070200000000, 0.0025133900000000, 0.0057453400000000 ] - [ 0.0000089900000000, -0.0000599800000000, 0.0000620600000000 ] - [ -0.0036638900000000, 0.0014305300000000, 0.0018012600000000 ] - [ -0.0042291200000000, -0.0019398600000000, 0.0018743900000000 ] - [ -0.0000282900000000, 0.0000861900000000, 0.0000639300000000 ] - [ -0.0001720300000000, -0.0005500200000000, -0.0000627200000000 ] - [ -0.0002257500000000, 0.0028903800000000, 0.0014449500000000 ] - [ -0.0001870900000000, -0.0024992800000000, 0.0008875800000000 ] - [ -0.0000449900000000, 0.0007131700000000, 0.0000781600000000 ] - [ 0.0003460000000000, -0.0003700400000000, 0.0004145700000000 ] - [ 0.0004486500000000, 0.0004550700000000, 0.0005271900000000 ] - [ -0.0011980000000000, -0.0000170000000000, -0.0475204800000000 ] - [ 0.0001721200000000, 0.0000489300000000, 0.0000070600000000 ]- atom: 15 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0227056200000000, -0.0029676000000000, -0.0214234300000000 ] - [ -0.0000075800000000, 0.0000379100000000, 0.0000069200000000 ] - [ 0.0003608000000000, -0.0008445900000000, -0.0005328000000000 ] - [ 0.0008996300000000, 0.0015603300000000, -0.0016123500000000 ] - [ 0.0229529400000000, 0.0029801000000000, -0.0218520400000000 ] - [ 0.0000197700000000, 0.0000133800000000, -0.0001141700000000 ] - [ 0.0003710400000000, 0.0008037600000000, -0.0005641000000000 ] - [ 0.0009158200000000, -0.0015990300000000, -0.0016349800000000 ] - [ 0.0022402200000000, -0.0006680000000000, -0.0010321500000000 ] - [ -0.0000406100000000, 0.0000645300000000, 0.0000006600000000 ] - [ 0.0002887300000000, 0.0001755100000000, -0.0004460000000000 ] - [ 0.0005042900000000, 0.0001774000000000, -0.0005434000000000 ] - [ -0.0001756600000000, -0.0001351900000000, -0.0000176900000000 ] - [ -0.0053690900000000, 0.0018724300000000, 0.0007545700000000 ] - [ -0.3029318000000000, 0.0039952300000000, 0.0954297400000000 ] - [ -0.0001544700000000, -0.0001460200000000, -0.0000102400000000 ] - [ -0.0020798100000000, -0.0001471400000000, 0.0015205700000000 ] - [ -0.0074468700000000, -0.0001383700000000, -0.0010557900000000 ] - [ 0.0122785000000000, 0.0000492700000000, -0.0000666200000000 ] - [ 0.0001840100000000, 0.0000901000000000, -0.0000490500000000 ] - [ 0.0021020700000000, -0.0000951400000000, -0.0004370000000000 ] - [ 0.0020227700000000, -0.0001049100000000, -0.0004706600000000 ] - [ -0.0000060400000000, 0.0001579900000000, 0.0000034700000000 ] - [ -0.0051965800000000, -0.0018422300000000, 0.0007898500000000 ] - [ 0.0025856300000000, 0.0006956300000000, -0.0009787900000000 ] - [ 0.0003155300000000, -0.0000339900000000, 0.0000853600000000 ] - [ 0.0010162200000000, -0.0000261300000000, 0.0025237800000000 ] - [ -0.0000155400000000, -0.0000258000000000, 0.0000393100000000 ] - [ 0.0002084000000000, 0.0000270900000000, 0.0001988200000000 ] - [ 0.0079381800000000, 0.0014117700000000, 0.0018426800000000 ] - [ -0.0145466000000000, -0.0067632700000000, 0.0010191600000000 ] - [ -0.0004568300000000, 0.0000494400000000, 0.0003675800000000 ] - [ 0.0051514600000000, -0.0067419400000000, 0.0028512500000000 ] - [ -0.0000990800000000, 0.0007681500000000, 0.0003284400000000 ] - [ -0.0001772900000000, 0.0003268500000000, 0.0000901500000000 ] - [ 0.0073152900000000, -0.0302143900000000, 0.0181028300000000 ] - [ 0.0000114900000000, -0.0002759200000000, 0.0002801600000000 ] - [ 0.0074836900000000, 0.0301939400000000, 0.0183555300000000 ] - [ 0.0056308800000000, 0.0070712000000000, 0.0027007600000000 ] - [ 0.0003591500000000, -0.0005156000000000, 0.0001409000000000 ] - [ -0.0144458700000000, 0.0066190700000000, 0.0003877100000000 ] - [ -0.0004871900000000, -0.0000612500000000, -0.0003138500000000 ] - [ 0.0001643300000000, 0.0000004300000000, -0.0002068300000000 ] - [ 0.0079062000000000, -0.0014196600000000, 0.0014284200000000 ] - [ 0.0031746500000000, 0.0000087300000000, -0.0060137100000000 ] - [ 0.0000322700000000, 0.0000198300000000, -0.0000467900000000 ] - [ -0.0001566800000000, 0.0000152400000000, -0.0000007000000000 ] - [ -0.0007787300000000, 0.0000183800000000, -0.0019895500000000 ] - [ -0.0020896800000000, -0.0006290000000000, -0.0013821300000000 ] - [ -0.0000280100000000, 0.0000838700000000, -0.0001752800000000 ] - [ -0.0007275100000000, 0.0000881900000000, 0.0004800200000000 ] - [ -0.0001302800000000, -0.0000081100000000, 0.0001302800000000 ] - [ -0.0013298000000000, 0.0004095500000000, 0.0025922100000000 ] - [ 0.0001020100000000, -0.0000355900000000, -0.0000079400000000 ] - [ -0.0005114000000000, -0.0005491400000000, 0.0050997100000000 ] - [ -0.0001154300000000, 0.0000507100000000, 0.0000086500000000 ] - [ -0.0001718200000000, 0.0001333100000000, 0.0002331300000000 ] - [ 0.0006854200000000, -0.0005023200000000, 0.0007210800000000 ] - [ -0.0056736200000000, -0.0015938700000000, 0.0011653300000000 ] - [ -0.0001074800000000, -0.0001000300000000, 0.0001221100000000 ] - [ -0.0003897000000000, 0.0002344300000000, 0.0002678100000000 ] - [ -0.0025415400000000, 0.0002993800000000, 0.0004489800000000 ] - [ 0.0013599800000000, 0.0021386800000000, 0.0030609700000000 ] - [ 0.0001202400000000, -0.0000684100000000, -0.0000800500000000 ] - [ 0.0055254900000000, 0.0043622000000000, -0.0096883900000000 ] - [ 0.0000986600000000, 0.0000010000000000, -0.0004320300000000 ] - [ -0.0080887800000000, 0.0028985300000000, -0.0008301800000000 ] - [ -0.0000491600000000, -0.0003630900000000, 0.0000730500000000 ] - [ -0.0012738000000000, 0.0021273100000000, 0.0005181100000000 ] - [ -0.0006425000000000, -0.0005458300000000, -0.0000381000000000 ] - [ 0.0368294700000000, -0.0212985300000000, -0.0330997700000000 ] - [ 0.0000831900000000, -0.0000628200000000, 0.0000411100000000 ] - [ 0.0017952200000000, 0.0036016900000000, -0.0004947500000000 ] - [ 0.0011589600000000, -0.0005115500000000, 0.0004814500000000 ] - [ 0.0949914200000000, 0.0553903800000000, -0.0036964700000000 ] - [ 0.0000874800000000, 0.0000967500000000, -0.0000238700000000 ] - [ 0.0001662100000000, 0.0004047200000000, -0.0003729900000000 ] - [ 0.0025093200000000, -0.0109210600000000, 0.0003941300000000 ] - [ 0.0049472800000000, -0.0037152100000000, -0.0043002700000000 ] - [ -0.0000430100000000, 0.0001672800000000, -0.0001609600000000 ] - [ -0.0098843100000000, -0.0035700100000000, -0.0048787000000000 ] - [ -0.0000920300000000, 0.0000637400000000, -0.0001529000000000 ] - [ -0.0098878900000000, 0.0035437700000000, -0.0046527100000000 ] - [ -0.0001318700000000, -0.0000971800000000, 0.0000486600000000 ] - [ 0.0055049400000000, 0.0036410400000000, -0.0041381000000000 ] - [ 0.0005701800000000, -0.0001958800000000, -0.0000375000000000 ] - [ 0.0991309800000000, -0.0595202800000000, -0.0037346800000000 ] - [ 0.0000078500000000, -0.0000724500000000, 0.0000258300000000 ] - [ 0.0002476600000000, -0.0004717000000000, -0.0002837800000000 ] - [ 0.0025775700000000, 0.0108367900000000, 0.0004850300000000 ] - [ 0.0365854300000000, 0.0214576500000000, -0.0335255500000000 ] - [ 0.0001067800000000, -0.0000056600000000, -0.0000070300000000 ] - [ 0.0018353200000000, -0.0033833900000000, -0.0003510300000000 ] - [ 0.0012062400000000, 0.0006900500000000, 0.0006172300000000 ] - [ -0.0081938200000000, -0.0032912300000000, -0.0008912500000000 ] - [ -0.0000949700000000, -0.0000074400000000, 0.0000146700000000 ] - [ -0.0013123200000000, -0.0020264200000000, 0.0005374800000000 ] - [ -0.0006788200000000, 0.0006660800000000, -0.0000234000000000 ] - [ 0.0055250900000000, -0.0043306000000000, -0.0090538900000000 ] - [ 0.0001258600000000, 0.0000252100000000, 0.0002039400000000 ] - [ 0.0012239200000000, -0.0022060800000000, 0.0032345300000000 ] - [ 0.0000039100000000, -0.0000265200000000, 0.0001323000000000 ] - [ -0.0003375300000000, -0.0000437500000000, 0.0000392100000000 ] - [ -0.0024905500000000, -0.0000957000000000, 0.0002160500000000 ] - [ -0.0055999700000000, 0.0014531700000000, 0.0009933400000000 ] - [ -0.0000281600000000, -0.0000780500000000, -0.0000708900000000 ] - [ -0.0002864000000000, 0.0005676600000000, 0.0051132400000000 ] - [ 0.0000950200000000, -0.0000367200000000, 0.0000237300000000 ] - [ -0.0000173900000000, -0.0001792700000000, 0.0002273300000000 ] - [ 0.0008398500000000, 0.0004537600000000, 0.0007133800000000 ] - [ -0.0015762700000000, -0.0004635900000000, 0.0026452200000000 ] - [ -0.0001535400000000, -0.0000259400000000, 0.0000304200000000 ] - [ -0.0007491600000000, -0.0000076700000000, 0.0006370800000000 ] - [ -0.0001548000000000, 0.0000870700000000, 0.0002824000000000 ] - [ -0.0023555900000000, 0.0006084300000000, -0.0012723900000000 ] - [ -0.0003069800000000, -0.0000955800000000, -0.0000935400000000 ] - [ 0.0001271600000000, 0.0000564400000000, 0.0000203000000000 ] - [ -0.0004955100000000, 0.0000592600000000, -0.0019649100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026542500000000, -0.0199125100000000, -0.0051025500000000 ] - [ 0.0000604500000000, 0.0026093300000000, 0.0000438300000000 ] - [ -0.0019376200000000, 0.0027086000000000, 0.0005237700000000 ] - [ 0.0011366800000000, 0.0027719900000000, -0.0015003300000000 ] - [ 0.0026542500000000, -0.0199125100000000, 0.0051025500000000 ] - [ -0.0000604500000000, 0.0026093300000000, -0.0000438300000000 ] - [ 0.0019376200000000, 0.0027086000000000, -0.0005237700000000 ] - [ -0.0011366800000000, 0.0027719900000000, 0.0015003300000000 ] - [ 0.0016920800000000, -0.0027484700000000, -0.0030103700000000 ] - [ -0.0003922600000000, 0.0031655000000000, 0.0000259800000000 ] - [ 0.0000000000000000, 0.0023751600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025669100000000, 0.0000000000000000 ] - [ -0.0002068400000000, 0.0033708800000000, 0.0002447300000000 ] - [ 0.0056292200000000, -0.0030385100000000, -0.0056164300000000 ] - [ 0.0000000000000000, -0.2947606000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041667200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075633900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0071653600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0115597400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041914300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026865800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029253400000000, 0.0000000000000000 ] - [ 0.0002068400000000, 0.0033708800000000, -0.0002447300000000 ] - [ -0.0056292200000000, -0.0030385100000000, 0.0056164300000000 ] - [ -0.0016920800000000, -0.0027484700000000, 0.0030103700000000 ] - [ 0.0003922600000000, 0.0031655000000000, -0.0000259800000000 ] - [ 0.0000000000000000, -0.0003978300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003048400000000, 0.0000000000000000 ] - [ 0.0002869800000000, 0.0035796600000000, 0.0001158800000000 ] - [ -0.0048518600000000, -0.0027412100000000, -0.0008127200000000 ] - [ 0.0022722200000000, 0.0215965700000000, 0.0217855500000000 ] - [ -0.0001356800000000, 0.0047391900000000, -0.0001363200000000 ] - [ -0.0126837200000000, -0.0036534900000000, 0.0036527600000000 ] - [ 0.0001014800000000, 0.0044063400000000, 0.0001581700000000 ] - [ 0.0003002000000000, 0.0047346200000000, 0.0002250700000000 ] - [ -0.0176347000000000, 0.0238649000000000, -0.0124700300000000 ] - [ -0.0003002000000000, 0.0047346200000000, -0.0002250700000000 ] - [ 0.0176347000000000, 0.0238649000000000, 0.0124700300000000 ] - [ 0.0126837200000000, -0.0036534900000000, -0.0036527600000000 ] - [ -0.0001014800000000, 0.0044063400000000, -0.0001581700000000 ] - [ -0.0022722200000000, 0.0215965700000000, -0.0217855500000000 ] - [ 0.0001356800000000, 0.0047391900000000, 0.0001363200000000 ] - [ -0.0002869800000000, 0.0035796600000000, -0.0001158800000000 ] - [ 0.0048518600000000, -0.0027412100000000, 0.0008127200000000 ] - [ 0.0000000000000000, -0.0113956700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041831900000000, 0.0000000000000000 ] - [ -0.0002067300000000, -0.0010214900000000, 0.0000865200000000 ] - [ 0.0021254500000000, 0.0010737400000000, -0.0007447100000000 ] - [ -0.0021331500000000, 0.0017021100000000, 0.0003315700000000 ] - [ 0.0002821700000000, -0.0015184300000000, 0.0000530000000000 ] - [ 0.0000397800000000, -0.0005401700000000, -0.0000115900000000 ] - [ -0.0005619500000000, -0.0019972500000000, 0.0000117900000000 ] - [ -0.0003309900000000, 0.0052727500000000, -0.0010603400000000 ] - [ 0.0008888400000000, -0.0024743600000000, 0.0002172300000000 ] - [ -0.0023646600000000, 0.0077145600000000, 0.0015806400000000 ] - [ 0.0007487900000000, -0.0025495500000000, -0.0002144400000000 ] - [ -0.0003315900000000, -0.0023440700000000, -0.0004558800000000 ] - [ -0.0013464100000000, -0.0006967600000000, 0.0013093500000000 ] - [ -0.0000726800000000, 0.0049302000000000, -0.0003394200000000 ] - [ -0.0005203800000000, -0.0026510800000000, 0.0007883400000000 ] - [ 0.0004299500000000, -0.0020651600000000, -0.0004611000000000 ] - [ 0.0006370700000000, -0.0006506300000000, 0.0002226800000000 ] - [ 0.0006276700000000, -0.0016325700000000, -0.0073482700000000 ] - [ -0.0000005500000000, -0.0015790400000000, 0.0002164300000000 ] - [ -0.0001639900000000, -0.0035454000000000, 0.0088135100000000 ] - [ -0.0000043000000000, -0.0014959200000000, -0.0005052900000000 ] - [ 0.0029807700000000, 0.0084136700000000, -0.0014962900000000 ] - [ -0.0003680100000000, -0.0029734100000000, 0.0007747900000000 ] - [ 0.0021503000000000, -0.0008335500000000, -0.0008551200000000 ] - [ -0.0001411600000000, -0.0026629500000000, -0.0006609900000000 ] - [ -0.0237920900000000, 0.0661353500000000, 0.0614129700000000 ] - [ -0.0005058200000000, -0.0029743600000000, -0.0006706700000000 ] - [ 0.0013277300000000, -0.0060235300000000, -0.0007591200000000 ] - [ 0.0003373700000000, -0.0035096900000000, 0.0014029600000000 ] - [ 0.0592579700000000, 0.0676988800000000, 0.0020767500000000 ] - [ -0.0003297800000000, -0.0029858900000000, -0.0007696700000000 ] - [ 0.0010698400000000, -0.0037485300000000, 0.0008740200000000 ] - [ -0.0009665800000000, -0.0066693500000000, 0.0006968700000000 ] - [ -0.0105478400000000, -0.0042392100000000, -0.0022594400000000 ] - [ -0.0000819700000000, -0.0016460000000000, -0.0000141700000000 ] - [ -0.0077812500000000, -0.0019324200000000, -0.0030625000000000 ] - [ 0.0003822500000000, -0.0014414200000000, -0.0000314200000000 ] - [ 0.0077812500000000, -0.0019324200000000, 0.0030625000000000 ] - [ -0.0003822500000000, -0.0014414200000000, 0.0000314200000000 ] - [ 0.0105478400000000, -0.0042392100000000, 0.0022594400000000 ] - [ 0.0000819700000000, -0.0016460000000000, 0.0000141700000000 ] - [ -0.0592579700000000, 0.0676988800000000, -0.0020767500000000 ] - [ 0.0003297800000000, -0.0029858900000000, 0.0007696700000000 ] - [ -0.0010698400000000, -0.0037485300000000, -0.0008740200000000 ] - [ 0.0009665800000000, -0.0066693500000000, -0.0006968700000000 ] - [ 0.0237920900000000, 0.0661353500000000, -0.0614129700000000 ] - [ 0.0005058200000000, -0.0029743600000000, 0.0006706700000000 ] - [ -0.0013277300000000, -0.0060235300000000, 0.0007591200000000 ] - [ -0.0003373700000000, -0.0035096900000000, -0.0014029600000000 ] - [ -0.0029807700000000, 0.0084136700000000, 0.0014962900000000 ] - [ 0.0003680100000000, -0.0029734100000000, -0.0007747900000000 ] - [ -0.0021503000000000, -0.0008335500000000, 0.0008551200000000 ] - [ 0.0001411600000000, -0.0026629500000000, 0.0006609900000000 ] - [ 0.0001639900000000, -0.0035454000000000, -0.0088135100000000 ] - [ 0.0000043000000000, -0.0014959200000000, 0.0005052900000000 ] - [ -0.0006276700000000, -0.0016325700000000, 0.0073482700000000 ] - [ 0.0000005500000000, -0.0015790400000000, -0.0002164300000000 ] - [ -0.0004299500000000, -0.0020651600000000, 0.0004611000000000 ] - [ -0.0006370700000000, -0.0006506300000000, -0.0002226800000000 ] - [ 0.0000726800000000, 0.0049302000000000, 0.0003394200000000 ] - [ 0.0005203800000000, -0.0026510800000000, -0.0007883400000000 ] - [ 0.0023646600000000, 0.0077145600000000, -0.0015806400000000 ] - [ -0.0007487900000000, -0.0025495500000000, 0.0002144400000000 ] - [ 0.0003315900000000, -0.0023440700000000, 0.0004558800000000 ] - [ 0.0013464100000000, -0.0006967600000000, -0.0013093500000000 ] - [ 0.0003309900000000, 0.0052727500000000, 0.0010603400000000 ] - [ -0.0008888400000000, -0.0024743600000000, -0.0002172300000000 ] - [ -0.0000397800000000, -0.0005401700000000, 0.0000115900000000 ] - [ 0.0005619500000000, -0.0019972500000000, -0.0000117900000000 ] - [ 0.0021331500000000, 0.0017021100000000, -0.0003315700000000 ] - [ -0.0002821700000000, -0.0015184300000000, -0.0000530000000000 ] - [ 0.0002067300000000, -0.0010214900000000, -0.0000865200000000 ] - [ -0.0021254500000000, 0.0010737400000000, 0.0007447100000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027404700000000, 0.0199676900000000, 0.0051591100000000 ] - [ -0.0000910600000000, -0.0025550400000000, 0.0000788500000000 ] - [ 0.0019083600000000, -0.0027627900000000, -0.0004984400000000 ] - [ -0.0011634200000000, -0.0028236200000000, 0.0015266000000000 ] - [ -0.0027404700000000, 0.0199676900000000, -0.0051591100000000 ] - [ 0.0000910600000000, -0.0025550400000000, -0.0000788500000000 ] - [ -0.0019083600000000, -0.0027627900000000, 0.0004984400000000 ] - [ 0.0011634200000000, -0.0028236200000000, -0.0015266000000000 ] - [ -0.0020494000000000, 0.0027719100000000, 0.0029505400000000 ] - [ 0.0000285900000000, -0.0031262100000000, -0.0001022500000000 ] - [ 0.0000000000000000, -0.0020617000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022394100000000, 0.0000000000000000 ] - [ 0.0000275600000000, -0.0033564300000000, -0.0002602800000000 ] - [ -0.0058345400000000, 0.0030715100000000, 0.0056228400000000 ] - [ 0.0000000000000000, 0.2955886800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044331500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0078496800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074971700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117459500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0039885800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029200200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0031482300000000, 0.0000000000000000 ] - [ -0.0000275600000000, -0.0033564300000000, 0.0002602800000000 ] - [ 0.0058345400000000, 0.0030715100000000, -0.0056228400000000 ] - [ 0.0020494000000000, 0.0027719100000000, -0.0029505400000000 ] - [ -0.0000285900000000, -0.0031262100000000, 0.0001022500000000 ] - [ 0.0000000000000000, 0.0003501800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003568100000000, 0.0000000000000000 ] - [ -0.0002336400000000, -0.0035709400000000, 0.0002958800000000 ] - [ 0.0048991100000000, 0.0027628000000000, 0.0012071100000000 ] - [ -0.0023362300000000, -0.0216293800000000, -0.0208303900000000 ] - [ 0.0001812000000000, -0.0047476300000000, 0.0008501700000000 ] - [ 0.0121527900000000, 0.0038825500000000, -0.0034735700000000 ] - [ -0.0005575300000000, -0.0041470300000000, -0.0000006800000000 ] - [ -0.0004880100000000, -0.0046924200000000, -0.0004106700000000 ] - [ 0.0176836200000000, -0.0238543600000000, 0.0122914500000000 ] - [ 0.0004880100000000, -0.0046924200000000, 0.0004106700000000 ] - [ -0.0176836200000000, -0.0238543600000000, -0.0122914500000000 ] - [ -0.0121527900000000, 0.0038825500000000, 0.0034735700000000 ] - [ 0.0005575300000000, -0.0041470300000000, 0.0000006800000000 ] - [ 0.0023362300000000, -0.0216293800000000, 0.0208303900000000 ] - [ -0.0001812000000000, -0.0047476300000000, -0.0008501700000000 ] - [ 0.0002336400000000, -0.0035709400000000, -0.0002958800000000 ] - [ -0.0048991100000000, 0.0027628000000000, -0.0012071100000000 ] - [ 0.0000000000000000, 0.0114747500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041154800000000, 0.0000000000000000 ] - [ -0.0000754400000000, 0.0010921100000000, -0.0001153800000000 ] - [ -0.0024087700000000, -0.0010072300000000, 0.0007305400000000 ] - [ 0.0023894200000000, -0.0017038000000000, -0.0004130300000000 ] - [ -0.0000079400000000, 0.0015077600000000, -0.0001250300000000 ] - [ -0.0000140600000000, 0.0006273300000000, -0.0001508400000000 ] - [ 0.0005849500000000, 0.0020726200000000, -0.0001704300000000 ] - [ 0.0005695000000000, -0.0053229300000000, 0.0010204000000000 ] - [ -0.0006371200000000, 0.0024178100000000, -0.0002592100000000 ] - [ 0.0021660600000000, -0.0077138900000000, -0.0015947500000000 ] - [ -0.0009549800000000, 0.0025663300000000, 0.0001992100000000 ] - [ 0.0001877300000000, 0.0022969100000000, 0.0004488400000000 ] - [ 0.0012053500000000, 0.0006431700000000, -0.0013172500000000 ] - [ -0.0000163600000000, -0.0051045400000000, 0.0005427700000000 ] - [ 0.0004393600000000, 0.0024773700000000, -0.0005912100000000 ] - [ -0.0004796800000000, 0.0022594400000000, 0.0007021000000000 ] - [ -0.0006798700000000, 0.0008340900000000, 0.0000207400000000 ] - [ -0.0004772600000000, 0.0015757500000000, 0.0071663500000000 ] - [ 0.0001249500000000, 0.0014857200000000, -0.0004268700000000 ] - [ 0.0001097000000000, 0.0035847000000000, -0.0094753900000000 ] - [ -0.0000200100000000, 0.0015233900000000, -0.0001275400000000 ] - [ -0.0029306400000000, -0.0087614600000000, 0.0015463600000000 ] - [ 0.0004138900000000, 0.0026032300000000, -0.0007144200000000 ] - [ -0.0021001100000000, 0.0009617500000000, 0.0008425200000000 ] - [ 0.0001857300000000, 0.0027865600000000, 0.0006520200000000 ] - [ 0.0226855800000000, -0.0651130700000000, -0.0589004600000000 ] - [ 0.0004825900000000, 0.0029061900000000, 0.0007163300000000 ] - [ -0.0013690900000000, 0.0062199500000000, 0.0005970100000000 ] - [ -0.0003906100000000, 0.0037029700000000, -0.0015414300000000 ] - [ -0.0621029100000000, -0.0692616800000000, -0.0021043000000000 ] - [ 0.0004099100000000, 0.0030076700000000, 0.0007190000000000 ] - [ -0.0011496500000000, 0.0036792300000000, -0.0009608600000000 ] - [ 0.0009041000000000, 0.0065966800000000, -0.0007845100000000 ] - [ 0.0098881000000000, 0.0041925700000000, 0.0020913400000000 ] - [ -0.0005296500000000, 0.0016211000000000, -0.0001006000000000 ] - [ 0.0078020700000000, 0.0018722400000000, 0.0028241100000000 ] - [ -0.0003365600000000, 0.0014087000000000, -0.0001723000000000 ] - [ -0.0078020700000000, 0.0018722400000000, -0.0028241100000000 ] - [ 0.0003365600000000, 0.0014087000000000, 0.0001723000000000 ] - [ -0.0098881000000000, 0.0041925700000000, -0.0020913400000000 ] - [ 0.0005296500000000, 0.0016211000000000, 0.0001006000000000 ] - [ 0.0621029100000000, -0.0692616800000000, 0.0021043000000000 ] - [ -0.0004099100000000, 0.0030076700000000, -0.0007190000000000 ] - [ 0.0011496500000000, 0.0036792300000000, 0.0009608600000000 ] - [ -0.0009041000000000, 0.0065966800000000, 0.0007845100000000 ] - [ -0.0226855800000000, -0.0651130700000000, 0.0589004600000000 ] - [ -0.0004825900000000, 0.0029061900000000, -0.0007163300000000 ] - [ 0.0013690900000000, 0.0062199500000000, -0.0005970100000000 ] - [ 0.0003906100000000, 0.0037029700000000, 0.0015414300000000 ] - [ 0.0029306400000000, -0.0087614600000000, -0.0015463600000000 ] - [ -0.0004138900000000, 0.0026032300000000, 0.0007144200000000 ] - [ 0.0021001100000000, 0.0009617500000000, -0.0008425200000000 ] - [ -0.0001857300000000, 0.0027865600000000, -0.0006520200000000 ] - [ -0.0001097000000000, 0.0035847000000000, 0.0094753900000000 ] - [ 0.0000200100000000, 0.0015233900000000, 0.0001275400000000 ] - [ 0.0004772600000000, 0.0015757500000000, -0.0071663500000000 ] - [ -0.0001249500000000, 0.0014857200000000, 0.0004268700000000 ] - [ 0.0004796800000000, 0.0022594400000000, -0.0007021000000000 ] - [ 0.0006798700000000, 0.0008340900000000, -0.0000207400000000 ] - [ 0.0000163600000000, -0.0051045400000000, -0.0005427700000000 ] - [ -0.0004393600000000, 0.0024773700000000, 0.0005912100000000 ] - [ -0.0021660600000000, -0.0077138900000000, 0.0015947500000000 ] - [ 0.0009549800000000, 0.0025663300000000, -0.0001992100000000 ] - [ -0.0001877300000000, 0.0022969100000000, -0.0004488400000000 ] - [ -0.0012053500000000, 0.0006431700000000, 0.0013172500000000 ] - [ -0.0005695000000000, -0.0053229300000000, -0.0010204000000000 ] - [ 0.0006371200000000, 0.0024178100000000, 0.0002592100000000 ] - [ 0.0000140600000000, 0.0006273300000000, 0.0001508400000000 ] - [ -0.0005849500000000, 0.0020726200000000, 0.0001704300000000 ] - [ -0.0023894200000000, -0.0017038000000000, 0.0004130300000000 ] - [ 0.0000079400000000, 0.0015077600000000, 0.0001250300000000 ] - [ 0.0000754400000000, 0.0010921100000000, 0.0001153800000000 ] - [ 0.0024087700000000, -0.0010072300000000, -0.0007305400000000 ]- atom: 15 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0304229900000000, -0.0035156000000000, 0.0124107400000000 ] - [ -0.0000455300000000, 0.0000368200000000, 0.0000481300000000 ] - [ -0.0019369100000000, 0.0015782500000000, -0.0000091400000000 ] - [ -0.0006279400000000, -0.0008854400000000, 0.0003493100000000 ] - [ -0.0300023500000000, 0.0035718600000000, 0.0121921100000000 ] - [ -0.0000175900000000, 0.0000100300000000, -0.0000725400000000 ] - [ -0.0019190900000000, -0.0016242100000000, -0.0000315000000000 ] - [ -0.0006077300000000, 0.0008411400000000, 0.0003349400000000 ] - [ -0.0035944300000000, 0.0009564800000000, 0.0059173100000000 ] - [ -0.0002754400000000, 0.0000089400000000, 0.0000373000000000 ] - [ -0.0012339300000000, 0.0001755200000000, 0.0015249900000000 ] - [ -0.0010523200000000, 0.0001689400000000, 0.0011585100000000 ] - [ 0.0000322500000000, 0.0005430000000000, 0.0001871200000000 ] - [ 0.0008704600000000, -0.0047571800000000, 0.0036858300000000 ] - [ 0.2330462000000000, -0.0041661000000000, -0.2687626800000000 ] - [ 0.0000668900000000, -0.0001494400000000, -0.0001001600000000 ] - [ 0.0023838000000000, -0.0001478600000000, -0.0076108400000000 ] - [ 0.0029160300000000, -0.0001396600000000, -0.0004531500000000 ] - [ -0.0060803800000000, 0.0000878400000000, -0.0005856200000000 ] - [ -0.0000587900000000, 0.0000866300000000, 0.0000082800000000 ] - [ -0.0004989100000000, -0.0001062800000000, 0.0000697300000000 ] - [ -0.0007477100000000, -0.0001052400000000, 0.0001612400000000 ] - [ 0.0001996600000000, -0.0005244800000000, 0.0002073800000000 ] - [ 0.0010243400000000, 0.0047253300000000, 0.0036846000000000 ] - [ -0.0032227300000000, -0.0009067900000000, 0.0060010800000000 ] - [ 0.0000821000000000, 0.0000136300000000, 0.0001228200000000 ] - [ 0.0010347600000000, -0.0000253600000000, 0.0006311800000000 ] - [ 0.0001091100000000, -0.0000262600000000, 0.0000641200000000 ] - [ -0.0000660700000000, 0.0000743200000000, 0.0003443900000000 ] - [ -0.0034027800000000, -0.0011522900000000, 0.0007255400000000 ] - [ 0.0150346900000000, 0.0312923400000000, 0.0135786200000000 ] - [ 0.0002524400000000, -0.0002216000000000, 0.0003072500000000 ] - [ 0.0047730600000000, 0.0038859300000000, -0.0059547700000000 ] - [ -0.0002129700000000, -0.0001151200000000, -0.0000332900000000 ] - [ 0.0000711900000000, -0.0000367800000000, -0.0004716800000000 ] - [ 0.0033742900000000, 0.0088220000000000, -0.0135854900000000 ] - [ 0.0002583200000000, 0.0000787300000000, -0.0002814100000000 ] - [ 0.0035736900000000, -0.0086678100000000, -0.0132685700000000 ] - [ 0.0052045700000000, -0.0036413300000000, -0.0061393800000000 ] - [ 0.0002467200000000, 0.0003627300000000, -0.0002213500000000 ] - [ 0.0150453800000000, -0.0312402400000000, 0.0128773200000000 ] - [ 0.0002210400000000, 0.0002018700000000, -0.0003746700000000 ] - [ -0.0001106700000000, -0.0000574300000000, -0.0000599100000000 ] - [ -0.0034305300000000, 0.0011654800000000, 0.0003449800000000 ] - [ -0.0075263100000000, 0.0000544100000000, 0.0121001700000000 ] - [ -0.0001496900000000, 0.0000170300000000, 0.0001543700000000 ] - [ -0.0001895100000000, 0.0000958500000000, -0.0001532500000000 ] - [ -0.0002178900000000, -0.0001798600000000, -0.0007532400000000 ] - [ -0.0007178500000000, 0.0003584300000000, -0.0005034100000000 ] - [ 0.0001899800000000, -0.0000356100000000, -0.0000058500000000 ] - [ 0.0017020800000000, -0.0000621200000000, -0.0017977800000000 ] - [ 0.0003043000000000, 0.0001695300000000, -0.0002961400000000 ] - [ 0.0038175800000000, -0.0006631000000000, -0.0048551700000000 ] - [ 0.0001780500000000, -0.0000334500000000, -0.0000557700000000 ] - [ 0.0038257500000000, 0.0014519300000000, -0.0079807700000000 ] - [ -0.0000354100000000, -0.0001515900000000, -0.0000642900000000 ] - [ 0.0003501800000000, -0.0005963700000000, -0.0006789400000000 ] - [ 0.0005449300000000, 0.0013745900000000, -0.0007713500000000 ] - [ 0.0029746900000000, 0.0009512700000000, -0.0002894000000000 ] - [ -0.0000019800000000, -0.0000869400000000, 0.0000744700000000 ] - [ 0.0001558500000000, 0.0000625000000000, 0.0001261800000000 ] - [ 0.0011581100000000, 0.0000358400000000, -0.0001641400000000 ] - [ -0.0002806300000000, -0.0043998000000000, -0.0095469600000000 ] - [ 0.0000486100000000, 0.0000221500000000, -0.0001681100000000 ] - [ -0.0055912600000000, 0.0021759600000000, 0.0038246300000000 ] - [ -0.0002127300000000, -0.0001372600000000, -0.0001406700000000 ] - [ 0.0046653300000000, -0.0022754600000000, 0.0032683200000000 ] - [ 0.0000424800000000, -0.0001209500000000, 0.0000244500000000 ] - [ -0.0003760500000000, -0.0002235000000000, 0.0011729200000000 ] - [ 0.0002803100000000, 0.0002935300000000, 0.0000331800000000 ] - [ -0.0501603700000000, 0.0630218100000000, 0.1025392800000000 ] - [ -0.0000420600000000, 0.0000279600000000, 0.0000574600000000 ] - [ -0.0005979900000000, -0.0109942900000000, 0.0030162400000000 ] - [ -0.0004947400000000, 0.0004824500000000, -0.0001514400000000 ] - [ -0.0495005300000000, -0.0262282400000000, 0.0198876800000000 ] - [ 0.0000179600000000, -0.0000211700000000, 0.0000548300000000 ] - [ -0.0000910200000000, -0.0006382700000000, 0.0013154000000000 ] - [ -0.0011641100000000, 0.0045634600000000, 0.0010091000000000 ] - [ -0.0128447500000000, -0.0036605500000000, 0.0045986600000000 ] - [ -0.0004700800000000, -0.0000502500000000, 0.0000170900000000 ] - [ 0.0043877200000000, 0.0021666000000000, 0.0028179300000000 ] - [ 0.0000609000000000, -0.0000426600000000, -0.0000523400000000 ] - [ 0.0043826200000000, -0.0022165800000000, 0.0030526200000000 ] - [ 0.0000201500000000, 0.0000129300000000, 0.0001494300000000 ] - [ -0.0122088600000000, 0.0036380200000000, 0.0047036300000000 ] - [ 0.0001443400000000, 0.0000241500000000, 0.0001402000000000 ] - [ -0.0490090600000000, 0.0256805100000000, 0.0203201400000000 ] - [ -0.0000621000000000, 0.0000507100000000, 0.0001029000000000 ] - [ -0.0000112000000000, 0.0005764700000000, 0.0014040100000000 ] - [ -0.0010911500000000, -0.0046591400000000, 0.0011020200000000 ] - [ -0.0481145600000000, -0.0586531900000000, 0.0976834000000000 ] - [ -0.0000194300000000, -0.0000916900000000, 0.0000079700000000 ] - [ -0.0005546800000000, 0.0111857300000000, 0.0031623700000000 ] - [ -0.0004472400000000, -0.0002979600000000, -0.0000159100000000 ] - [ 0.0046168100000000, 0.0019028300000000, 0.0031924500000000 ] - [ -0.0000042900000000, -0.0002457600000000, -0.0000326000000000 ] - [ -0.0004106400000000, 0.0003481800000000, 0.0011864600000000 ] - [ 0.0002439800000000, -0.0001708800000000, 0.0000474200000000 ] - [ -0.0055246400000000, -0.0021161500000000, 0.0044199000000000 ] - [ -0.0001845200000000, 0.0001660000000000, 0.0004949800000000 ] - [ -0.0004064800000000, 0.0043036500000000, -0.0093684800000000 ] - [ -0.0000645800000000, -0.0001142400000000, 0.0000458100000000 ] - [ 0.0002079200000000, 0.0001377600000000, -0.0001082800000000 ] - [ 0.0012060000000000, 0.0001640100000000, -0.0004023000000000 ] - [ 0.0030461400000000, -0.0011235400000000, -0.0004906300000000 ] - [ 0.0000759000000000, -0.0000852900000000, -0.0001179500000000 ] - [ 0.0040186600000000, -0.0014284000000000, -0.0079236000000000 ] - [ 0.0001761300000000, 0.0001690400000000, -0.0000490900000000 ] - [ 0.0005037200000000, 0.0005515800000000, -0.0006852200000000 ] - [ 0.0006953200000000, -0.0014043300000000, -0.0007801900000000 ] - [ 0.0035445200000000, 0.0005737000000000, -0.0048208500000000 ] - [ -0.0000766800000000, -0.0000236800000000, -0.0000176200000000 ] - [ 0.0016766700000000, 0.0001386800000000, -0.0016475700000000 ] - [ 0.0002757800000000, -0.0000825100000000, -0.0001468600000000 ] - [ -0.0010054000000000, -0.0003726100000000, -0.0004215500000000 ] - [ -0.0000900100000000, 0.0000263100000000, 0.0000763800000000 ] - [ 0.0000938500000000, -0.0000219100000000, -0.0001338300000000 ] - [ 0.0000639200000000, 0.0002584300000000, -0.0007515900000000 ]- atom: 17 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0003883700000000, 0.0008612900000000, -0.0004887500000000 ] - [ 0.0009177300000000, -0.0015308000000000, -0.0016018900000000 ] - [ 0.0224228900000000, 0.0027432500000000, -0.0214786600000000 ] - [ -0.0000078800000000, -0.0000367600000000, -0.0000345500000000 ] - [ 0.0004076300000000, -0.0008152500000000, -0.0006172000000000 ] - [ 0.0009443700000000, 0.0015760200000000, -0.0017227400000000 ] - [ 0.0226576400000000, -0.0027562300000000, -0.0218065900000000 ] - [ 0.0000123800000000, -0.0000105600000000, -0.0000595700000000 ] - [ 0.0022452600000000, 0.0008860900000000, -0.0010736200000000 ] - [ -0.0000402300000000, -0.0000300500000000, 0.0000091000000000 ] - [ 0.0024777700000000, 0.0001802100000000, -0.0048504400000000 ] - [ 0.0000205200000000, 0.0001742400000000, -0.0000324000000000 ] - [ -0.0054545300000000, -0.0023291200000000, 0.0010793500000000 ] - [ -0.0001645300000000, 0.0001511900000000, -0.0000130400000000 ] - [ -0.0020798600000000, -0.0001448300000000, 0.0015455900000000 ] - [ -0.0074475000000000, -0.0001527100000000, -0.0008766700000000 ] - [ -0.3091047400000000, -0.0044061600000000, 0.0862461500000000 ] - [ -0.0001555600000000, -0.0001452700000000, -0.0000090900000000 ] - [ 0.0020367400000000, 0.0000771300000000, -0.0004194600000000 ] - [ 0.0021148700000000, 0.0000872400000000, -0.0005391700000000 ] - [ 0.0122016900000000, -0.0000680000000000, -0.0004438600000000 ] - [ 0.0001868100000000, -0.0001071500000000, -0.0000514600000000 ] - [ -0.0052856900000000, 0.0023405700000000, 0.0011154400000000 ] - [ 0.0000084800000000, -0.0001316300000000, 0.0000055600000000 ] - [ 0.0025929200000000, -0.0008607200000000, -0.0010198300000000 ] - [ 0.0003158700000000, 0.0000541800000000, 0.0000939200000000 ] - [ -0.0000185600000000, -0.0000259500000000, 0.0000382400000000 ] - [ 0.0009868600000000, -0.0000256700000000, 0.0025503400000000 ] - [ 0.0079377000000000, -0.0014278900000000, 0.0018633400000000 ] - [ 0.0002098500000000, -0.0000081000000000, 0.0001960000000000 ] - [ -0.0137742600000000, 0.0066058000000000, 0.0009289000000000 ] - [ -0.0004900900000000, -0.0000817800000000, 0.0003495900000000 ] - [ 0.0045734500000000, 0.0071146000000000, 0.0027687500000000 ] - [ -0.0000809400000000, -0.0005190000000000, 0.0003481700000000 ] - [ 0.0074401000000000, 0.0307281700000000, 0.0165485300000000 ] - [ -0.0001881500000000, -0.0002720100000000, 0.0001131300000000 ] - [ 0.0075988500000000, -0.0306191500000000, 0.0167902800000000 ] - [ -0.0000025600000000, 0.0003155900000000, 0.0003092500000000 ] - [ 0.0050474900000000, -0.0069523100000000, 0.0026175800000000 ] - [ 0.0003776700000000, 0.0007633300000000, 0.0001603600000000 ] - [ -0.0136794600000000, -0.0065033400000000, 0.0002971000000000 ] - [ -0.0005202000000000, 0.0000573000000000, -0.0003319700000000 ] - [ 0.0079066900000000, 0.0014764100000000, 0.0014491300000000 ] - [ 0.0001665100000000, 0.0000208700000000, -0.0002092900000000 ] - [ 0.0003527200000000, 0.0000162600000000, -0.0005171600000000 ] - [ 0.0005781000000000, 0.0000159000000000, -0.0006306100000000 ] - [ -0.0007088400000000, -0.0000435800000000, -0.0019043000000000 ] - [ -0.0001600200000000, 0.0000592200000000, -0.0000027500000000 ] - [ -0.0018826100000000, 0.0007234600000000, -0.0013042900000000 ] - [ -0.0000454800000000, -0.0000934500000000, -0.0001795600000000 ] - [ -0.0017907100000000, -0.0007251100000000, 0.0025197300000000 ] - [ -0.0000182200000000, 0.0000439800000000, -0.0000629500000000 ] - [ -0.0004772800000000, -0.0000716800000000, 0.0004341500000000 ] - [ 0.0000057400000000, -0.0000227300000000, 0.0001978100000000 ] - [ -0.0002342800000000, -0.0000876900000000, 0.0002441400000000 ] - [ 0.0004460000000000, 0.0004780800000000, 0.0004175700000000 ] - [ 0.0000974900000000, 0.0012544300000000, 0.0056464000000000 ] - [ -0.0000815700000000, -0.0000581400000000, 0.0000158800000000 ] - [ -0.0004013900000000, -0.0002328900000000, 0.0002627600000000 ] - [ -0.0026099100000000, -0.0003247100000000, 0.0004339700000000 ] - [ -0.0055069700000000, 0.0015470700000000, 0.0012197900000000 ] - [ -0.0000936500000000, 0.0001115900000000, 0.0001419000000000 ] - [ 0.0012204000000000, -0.0021656500000000, 0.0031072900000000 ] - [ 0.0001276500000000, -0.0000270800000000, -0.0000747200000000 ] - [ 0.0001115600000000, 0.0000139000000000, -0.0004312000000000 ] - [ 0.0051599000000000, -0.0046477200000000, -0.0094349900000000 ] - [ -0.0011745900000000, -0.0021799500000000, 0.0005365600000000 ] - [ -0.0006422000000000, 0.0004303100000000, 0.0000062500000000 ] - [ -0.0079610900000000, -0.0030386700000000, -0.0008432500000000 ] - [ -0.0000580300000000, 0.0002453100000000, 0.0000332800000000 ] - [ 0.0016854300000000, -0.0035269800000000, -0.0003877600000000 ] - [ 0.0012098100000000, 0.0006705700000000, 0.0006417000000000 ] - [ 0.0365927900000000, 0.0227086500000000, -0.0340066800000000 ] - [ 0.0000741000000000, 0.0001309300000000, -0.0000526000000000 ] - [ 0.0002167500000000, -0.0004497300000000, -0.0003673100000000 ] - [ 0.0025504300000000, 0.0110815900000000, 0.0008567900000000 ] - [ 0.0982372300000000, -0.0575236000000000, 0.0008282000000000 ] - [ 0.0000126500000000, -0.0001175000000000, -0.0000481200000000 ] - [ 0.0050812400000000, 0.0031778600000000, -0.0039963100000000 ] - [ -0.0000306800000000, -0.0002055800000000, -0.0001679800000000 ] - [ -0.0000940200000000, -0.0001004400000000, -0.0001589100000000 ] - [ -0.0098662200000000, 0.0037025100000000, -0.0046191200000000 ] - [ -0.0001326300000000, 0.0000717700000000, 0.0000414700000000 ] - [ -0.0098660400000000, -0.0037325600000000, -0.0043900400000000 ] - [ 0.0056383700000000, -0.0031612400000000, -0.0038379500000000 ] - [ 0.0005824500000000, 0.0001814100000000, -0.0000450700000000 ] - [ 0.0001405700000000, 0.0004773000000000, -0.0003191300000000 ] - [ 0.0024622800000000, -0.0110386500000000, 0.0009070800000000 ] - [ 0.1027065900000000, 0.0617381300000000, 0.0011223200000000 ] - [ 0.0000897600000000, 0.0000526600000000, 0.0000396600000000 ] - [ 0.0017011700000000, 0.0034288100000000, -0.0004312200000000 ] - [ 0.0012332200000000, -0.0007292600000000, 0.0005891000000000 ] - [ 0.0363465100000000, -0.0227393800000000, -0.0342300100000000 ] - [ 0.0001218500000000, 0.0000571800000000, 0.0000871600000000 ] - [ -0.0012213800000000, 0.0018345500000000, 0.0004837900000000 ] - [ -0.0006877900000000, -0.0007955400000000, -0.0000511500000000 ] - [ -0.0080562900000000, 0.0031887300000000, -0.0008357500000000 ] - [ -0.0000951400000000, -0.0001201700000000, 0.0000464400000000 ] - [ 0.0001386300000000, 0.0000157100000000, 0.0001965400000000 ] - [ 0.0051677400000000, 0.0046699500000000, -0.0087931600000000 ] - [ 0.0010857700000000, 0.0020483300000000, 0.0032791000000000 ] - [ 0.0000113100000000, -0.0000640300000000, 0.0001374500000000 ] - [ -0.0054619200000000, -0.0013818200000000, 0.0010047300000000 ] - [ -0.0000425200000000, 0.0000897200000000, -0.0000918400000000 ] - [ -0.0003221900000000, 0.0000667000000000, 0.0000762200000000 ] - [ -0.0025331700000000, 0.0001460200000000, 0.0002410900000000 ] - [ -0.0000211100000000, 0.0001043100000000, 0.0002584100000000 ] - [ 0.0006577100000000, -0.0004596500000000, 0.0004312800000000 ] - [ 0.0002672800000000, -0.0013011100000000, 0.0056428600000000 ] - [ 0.0000711100000000, 0.0000139000000000, 0.0000107200000000 ] - [ -0.0007289900000000, 0.0000144700000000, 0.0004786800000000 ] - [ -0.0002477700000000, -0.0000333400000000, 0.0002369200000000 ] - [ -0.0018081800000000, 0.0008042900000000, 0.0026861200000000 ] - [ -0.0000442100000000, 0.0000391100000000, 0.0000888300000000 ] - [ -0.0021495200000000, -0.0007210500000000, -0.0011969100000000 ] - [ -0.0003245400000000, 0.0000847900000000, -0.0000982500000000 ] - [ -0.0004299100000000, 0.0001126400000000, -0.0018808400000000 ] - [ 0.0001263500000000, 0.0000155600000000, 0.0000182100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019665100000000, 0.0027197000000000, -0.0004241200000000 ] - [ -0.0011935000000000, 0.0027543500000000, 0.0016267800000000 ] - [ 0.0024456500000000, -0.0199843100000000, 0.0052161900000000 ] - [ -0.0000297600000000, 0.0026094300000000, 0.0000349800000000 ] - [ -0.0019665100000000, 0.0027197000000000, 0.0004241200000000 ] - [ 0.0011935000000000, 0.0027543500000000, -0.0016267800000000 ] - [ -0.0024456500000000, -0.0199843100000000, -0.0052161900000000 ] - [ 0.0000297600000000, 0.0026094300000000, -0.0000349800000000 ] - [ -0.0020265000000000, -0.0023557500000000, 0.0030240500000000 ] - [ 0.0000180200000000, 0.0030938300000000, -0.0001405700000000 ] - [ 0.0000000000000000, -0.0099346400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036308600000000, 0.0000000000000000 ] - [ -0.0053528600000000, -0.0024090800000000, 0.0052760400000000 ] - [ 0.0000170400000000, 0.0033421500000000, -0.0002305400000000 ] - [ 0.0000000000000000, 0.0075564400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0072033000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.3022081300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041564500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028885400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031545100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0115663200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039615700000000, 0.0000000000000000 ] - [ 0.0053528600000000, -0.0024090800000000, -0.0052760400000000 ] - [ -0.0000170400000000, 0.0033421500000000, 0.0002305400000000 ] - [ 0.0020265000000000, -0.0023557500000000, -0.0030240500000000 ] - [ -0.0000180200000000, 0.0030938300000000, 0.0001405700000000 ] - [ 0.0000000000000000, 0.0003093300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004785400000000, 0.0000000000000000 ] - [ 0.0049657600000000, -0.0027978500000000, 0.0012692600000000 ] - [ -0.0002894200000000, 0.0035938900000000, 0.0003265400000000 ] - [ -0.0025819800000000, 0.0220008300000000, -0.0208740400000000 ] - [ 0.0001498400000000, 0.0047680200000000, 0.0008333800000000 ] - [ 0.0119256400000000, -0.0038513600000000, -0.0034076700000000 ] - [ -0.0005532700000000, 0.0043941400000000, 0.0000217700000000 ] - [ 0.0171818700000000, 0.0244789100000000, 0.0118908300000000 ] - [ -0.0005165600000000, 0.0047239900000000, -0.0004133500000000 ] - [ -0.0171818700000000, 0.0244789100000000, -0.0118908300000000 ] - [ 0.0005165600000000, 0.0047239900000000, 0.0004133500000000 ] - [ -0.0119256400000000, -0.0038513600000000, 0.0034076700000000 ] - [ 0.0005532700000000, 0.0043941400000000, -0.0000217700000000 ] - [ 0.0025819800000000, 0.0220008300000000, 0.0208740400000000 ] - [ -0.0001498400000000, 0.0047680200000000, -0.0008333800000000 ] - [ -0.0049657600000000, -0.0027978500000000, -0.0012692600000000 ] - [ 0.0002894200000000, 0.0035938900000000, -0.0003265400000000 ] - [ 0.0000000000000000, 0.0025797400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027872000000000, 0.0000000000000000 ] - [ -0.0022479900000000, 0.0010549800000000, 0.0006333600000000 ] - [ -0.0000358200000000, -0.0010174400000000, -0.0001419300000000 ] - [ 0.0023032900000000, 0.0013882400000000, -0.0004760000000000 ] - [ 0.0000003400000000, -0.0014917900000000, -0.0001540400000000 ] - [ -0.0001970300000000, 0.0051669000000000, 0.0006285600000000 ] - [ -0.0006243400000000, -0.0023747500000000, -0.0001402900000000 ] - [ 0.0003268100000000, -0.0007112000000000, -0.0000542100000000 ] - [ 0.0007387700000000, -0.0019914300000000, 0.0000065300000000 ] - [ 0.0002759800000000, -0.0022246100000000, 0.0003225100000000 ] - [ 0.0010772800000000, -0.0006901900000000, -0.0010189800000000 ] - [ 0.0019390200000000, 0.0075323700000000, -0.0022045900000000 ] - [ -0.0007749400000000, -0.0025071900000000, 0.0000441200000000 ] - [ -0.0005047800000000, -0.0022332400000000, 0.0006647400000000 ] - [ -0.0007183400000000, -0.0007874500000000, -0.0000431500000000 ] - [ -0.0000637100000000, 0.0050204500000000, 0.0005329100000000 ] - [ 0.0004511900000000, -0.0024767900000000, -0.0005791200000000 ] - [ -0.0004790800000000, -0.0018036300000000, 0.0071836600000000 ] - [ 0.0001276700000000, -0.0015728900000000, -0.0004415400000000 ] - [ 0.0000162200000000, -0.0015226100000000, -0.0000968600000000 ] - [ 0.0004447500000000, -0.0035935100000000, -0.0086466200000000 ] - [ -0.0020663200000000, -0.0010168700000000, 0.0008461000000000 ] - [ 0.0002333500000000, -0.0028573100000000, 0.0006748800000000 ] - [ -0.0028854100000000, 0.0087181800000000, 0.0015169600000000 ] - [ 0.0004395400000000, -0.0027716000000000, -0.0007451100000000 ] - [ -0.0013803700000000, -0.0061865100000000, 0.0006918200000000 ] - [ -0.0003998100000000, -0.0036999700000000, -0.0014569800000000 ] - [ 0.0237199100000000, 0.0668848600000000, -0.0612821600000000 ] - [ 0.0004715200000000, -0.0028785300000000, 0.0006323400000000 ] - [ -0.0010406300000000, -0.0036685600000000, -0.0009639500000000 ] - [ 0.0010256900000000, -0.0067141000000000, -0.0008859200000000 ] - [ -0.0638132500000000, 0.0693060600000000, -0.0053828300000000 ] - [ 0.0003598500000000, -0.0030680200000000, 0.0006901500000000 ] - [ 0.0097535700000000, -0.0041066800000000, 0.0018571100000000 ] - [ -0.0005230700000000, -0.0016578400000000, -0.0001162700000000 ] - [ -0.0003628800000000, -0.0014330500000000, -0.0001914100000000 ] - [ 0.0077023300000000, -0.0021153400000000, 0.0027115000000000 ] - [ 0.0003628800000000, -0.0014330500000000, 0.0001914100000000 ] - [ -0.0077023300000000, -0.0021153400000000, -0.0027115000000000 ] - [ -0.0097535700000000, -0.0041066800000000, -0.0018571100000000 ] - [ 0.0005230700000000, -0.0016578400000000, 0.0001162700000000 ] - [ 0.0010406300000000, -0.0036685600000000, 0.0009639500000000 ] - [ -0.0010256900000000, -0.0067141000000000, 0.0008859200000000 ] - [ 0.0638132500000000, 0.0693060600000000, 0.0053828300000000 ] - [ -0.0003598500000000, -0.0030680200000000, -0.0006901500000000 ] - [ 0.0013803700000000, -0.0061865100000000, -0.0006918200000000 ] - [ 0.0003998100000000, -0.0036999700000000, 0.0014569800000000 ] - [ -0.0237199100000000, 0.0668848600000000, 0.0612821600000000 ] - [ -0.0004715200000000, -0.0028785300000000, -0.0006323400000000 ] - [ 0.0020663200000000, -0.0010168700000000, -0.0008461000000000 ] - [ -0.0002333500000000, -0.0028573100000000, -0.0006748800000000 ] - [ 0.0028854100000000, 0.0087181800000000, -0.0015169600000000 ] - [ -0.0004395400000000, -0.0027716000000000, 0.0007451100000000 ] - [ -0.0000162200000000, -0.0015226100000000, 0.0000968600000000 ] - [ -0.0004447500000000, -0.0035935100000000, 0.0086466200000000 ] - [ 0.0004790800000000, -0.0018036300000000, -0.0071836600000000 ] - [ -0.0001276700000000, -0.0015728900000000, 0.0004415400000000 ] - [ 0.0000637100000000, 0.0050204500000000, -0.0005329100000000 ] - [ -0.0004511900000000, -0.0024767900000000, 0.0005791200000000 ] - [ 0.0005047800000000, -0.0022332400000000, -0.0006647400000000 ] - [ 0.0007183400000000, -0.0007874500000000, 0.0000431500000000 ] - [ -0.0002759800000000, -0.0022246100000000, -0.0003225100000000 ] - [ -0.0010772800000000, -0.0006901900000000, 0.0010189800000000 ] - [ -0.0019390200000000, 0.0075323700000000, 0.0022045900000000 ] - [ 0.0007749400000000, -0.0025071900000000, -0.0000441200000000 ] - [ -0.0003268100000000, -0.0007112000000000, 0.0000542100000000 ] - [ -0.0007387700000000, -0.0019914300000000, -0.0000065300000000 ] - [ 0.0001970300000000, 0.0051669000000000, -0.0006285600000000 ] - [ 0.0006243400000000, -0.0023747500000000, 0.0001402900000000 ] - [ -0.0023032900000000, 0.0013882400000000, 0.0004760000000000 ] - [ -0.0000003400000000, -0.0014917900000000, 0.0001540400000000 ] - [ 0.0022479900000000, 0.0010549800000000, -0.0006333600000000 ] - [ 0.0000358200000000, -0.0010174400000000, 0.0001419300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020039200000000, -0.0026732000000000, 0.0005529500000000 ] - [ 0.0011562400000000, -0.0027104300000000, -0.0015013200000000 ] - [ -0.0023578100000000, 0.0199327900000000, -0.0052531400000000 ] - [ 0.0000084200000000, -0.0026546800000000, -0.0000083900000000 ] - [ 0.0020039200000000, -0.0026732000000000, -0.0005529500000000 ] - [ -0.0011562400000000, -0.0027104300000000, 0.0015013200000000 ] - [ 0.0023578100000000, 0.0199327900000000, 0.0052531400000000 ] - [ -0.0000084200000000, -0.0026546800000000, 0.0000083900000000 ] - [ 0.0016721100000000, 0.0024014800000000, -0.0030925200000000 ] - [ -0.0003773700000000, -0.0030652900000000, 0.0000558700000000 ] - [ 0.0000000000000000, 0.0102637100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032890300000000, 0.0000000000000000 ] - [ 0.0051587700000000, 0.0024119800000000, -0.0052707500000000 ] - [ -0.0001928800000000, -0.0033232100000000, 0.0002129600000000 ] - [ 0.0000000000000000, -0.0078743300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074776700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.3010545800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044529400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027107100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029882500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0113681100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041789800000000, 0.0000000000000000 ] - [ -0.0051587700000000, 0.0024119800000000, 0.0052707500000000 ] - [ 0.0001928800000000, -0.0033232100000000, -0.0002129600000000 ] - [ -0.0016721100000000, 0.0024014800000000, 0.0030925200000000 ] - [ 0.0003773700000000, -0.0030652900000000, -0.0000558700000000 ] - [ 0.0000000000000000, -0.0003608200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004235000000000, 0.0000000000000000 ] - [ -0.0049273200000000, 0.0028042300000000, -0.0008822600000000 ] - [ 0.0003371600000000, -0.0035772300000000, 0.0000761600000000 ] - [ 0.0025124000000000, -0.0219962000000000, 0.0218057600000000 ] - [ -0.0001136800000000, -0.0047827700000000, -0.0001423500000000 ] - [ -0.0124578200000000, 0.0041280800000000, 0.0036070400000000 ] - [ 0.0000935300000000, -0.0041465000000000, 0.0001580000000000 ] - [ -0.0171344200000000, -0.0244130100000000, -0.0120647700000000 ] - [ 0.0003343000000000, -0.0046847700000000, 0.0002230000000000 ] - [ 0.0171344200000000, -0.0244130100000000, 0.0120647700000000 ] - [ -0.0003343000000000, -0.0046847700000000, -0.0002230000000000 ] - [ 0.0124578200000000, 0.0041280800000000, -0.0036070400000000 ] - [ -0.0000935300000000, -0.0041465000000000, -0.0001580000000000 ] - [ -0.0025124000000000, -0.0219962000000000, -0.0218057600000000 ] - [ 0.0001136800000000, -0.0047827700000000, 0.0001423500000000 ] - [ 0.0049273200000000, 0.0028042300000000, 0.0008822600000000 ] - [ -0.0003371600000000, -0.0035772300000000, -0.0000761600000000 ] - [ 0.0000000000000000, -0.0025234600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027463800000000, 0.0000000000000000 ] - [ 0.0019557100000000, -0.0009778900000000, -0.0006304000000000 ] - [ -0.0002496200000000, 0.0010902300000000, 0.0001293000000000 ] - [ -0.0020425500000000, -0.0014030500000000, 0.0004088300000000 ] - [ 0.0002787000000000, 0.0014860400000000, 0.0000950900000000 ] - [ 0.0002059900000000, -0.0050996300000000, -0.0007876300000000 ] - [ 0.0006465100000000, 0.0024473700000000, -0.0000221700000000 ] - [ -0.0000681300000000, 0.0006472700000000, 0.0000108300000000 ] - [ -0.0004825000000000, 0.0019381400000000, -0.0000453300000000 ] - [ -0.0004835300000000, 0.0022371700000000, -0.0003459100000000 ] - [ -0.0012847800000000, 0.0007090100000000, 0.0009971400000000 ] - [ -0.0020817400000000, -0.0075645000000000, 0.0021987800000000 ] - [ 0.0006266800000000, 0.0024595000000000, -0.0000487900000000 ] - [ 0.0004298100000000, 0.0020616100000000, -0.0004733700000000 ] - [ 0.0006502600000000, 0.0006251100000000, 0.0002364600000000 ] - [ 0.0000071400000000, -0.0048210600000000, -0.0002920700000000 ] - [ -0.0004999300000000, 0.0026744800000000, 0.0008144700000000 ] - [ 0.0006352300000000, 0.0016774900000000, -0.0073556100000000 ] - [ 0.0000019600000000, 0.0014830100000000, 0.0002409700000000 ] - [ -0.0000467200000000, 0.0015522900000000, -0.0005384800000000 ] - [ -0.0005006200000000, 0.0036156000000000, 0.0079849500000000 ] - [ 0.0021242500000000, 0.0006474200000000, -0.0007882300000000 ] - [ -0.0001813500000000, 0.0024930900000000, -0.0006144100000000 ] - [ 0.0029309200000000, -0.0086156100000000, -0.0015374300000000 ] - [ -0.0003998800000000, 0.0028963300000000, 0.0007343300000000 ] - [ 0.0013667900000000, 0.0061167100000000, -0.0006672400000000 ] - [ 0.0003734200000000, 0.0036323900000000, 0.0015050500000000 ] - [ -0.0248825400000000, -0.0678540200000000, 0.0637102900000000 ] - [ -0.0005197800000000, 0.0030642500000000, -0.0007726800000000 ] - [ 0.0011198400000000, 0.0037019200000000, 0.0009206200000000 ] - [ -0.0009281300000000, 0.0067477700000000, 0.0008414900000000 ] - [ 0.0607982800000000, -0.0678332100000000, 0.0051628300000000 ] - [ -0.0004385800000000, 0.0030049100000000, -0.0007769700000000 ] - [ -0.0104115900000000, 0.0041025800000000, -0.0020267000000000 ] - [ -0.0000910700000000, 0.0016333800000000, -0.0000035300000000 ] - [ 0.0004068000000000, 0.0014028500000000, -0.0000064400000000 ] - [ -0.0076871500000000, 0.0021160800000000, -0.0029437100000000 ] - [ -0.0004068000000000, 0.0014028500000000, 0.0000064400000000 ] - [ 0.0076871500000000, 0.0021160800000000, 0.0029437100000000 ] - [ 0.0104115900000000, 0.0041025800000000, 0.0020267000000000 ] - [ 0.0000910700000000, 0.0016333800000000, 0.0000035300000000 ] - [ -0.0011198400000000, 0.0037019200000000, -0.0009206200000000 ] - [ 0.0009281300000000, 0.0067477700000000, -0.0008414900000000 ] - [ -0.0607982800000000, -0.0678332100000000, -0.0051628300000000 ] - [ 0.0004385800000000, 0.0030049100000000, 0.0007769700000000 ] - [ -0.0013667900000000, 0.0061167100000000, 0.0006672400000000 ] - [ -0.0003734200000000, 0.0036323900000000, -0.0015050500000000 ] - [ 0.0248825400000000, -0.0678540200000000, -0.0637102900000000 ] - [ 0.0005197800000000, 0.0030642500000000, 0.0007726800000000 ] - [ -0.0021242500000000, 0.0006474200000000, 0.0007882300000000 ] - [ 0.0001813500000000, 0.0024930900000000, 0.0006144100000000 ] - [ -0.0029309200000000, -0.0086156100000000, 0.0015374300000000 ] - [ 0.0003998800000000, 0.0028963300000000, -0.0007343300000000 ] - [ 0.0000467200000000, 0.0015522900000000, 0.0005384800000000 ] - [ 0.0005006200000000, 0.0036156000000000, -0.0079849500000000 ] - [ -0.0006352300000000, 0.0016774900000000, 0.0073556100000000 ] - [ -0.0000019600000000, 0.0014830100000000, -0.0002409700000000 ] - [ -0.0000071400000000, -0.0048210600000000, 0.0002920700000000 ] - [ 0.0004999300000000, 0.0026744800000000, -0.0008144700000000 ] - [ -0.0004298100000000, 0.0020616100000000, 0.0004733700000000 ] - [ -0.0006502600000000, 0.0006251100000000, -0.0002364600000000 ] - [ 0.0004835300000000, 0.0022371700000000, 0.0003459100000000 ] - [ 0.0012847800000000, 0.0007090100000000, -0.0009971400000000 ] - [ 0.0020817400000000, -0.0075645000000000, -0.0021987800000000 ] - [ -0.0006266800000000, 0.0024595000000000, 0.0000487900000000 ] - [ 0.0000681300000000, 0.0006472700000000, -0.0000108300000000 ] - [ 0.0004825000000000, 0.0019381400000000, 0.0000453300000000 ] - [ -0.0002059900000000, -0.0050996300000000, 0.0007876300000000 ] - [ -0.0006465100000000, 0.0024473700000000, 0.0000221700000000 ] - [ 0.0020425500000000, -0.0014030500000000, -0.0004088300000000 ] - [ -0.0002787000000000, 0.0014860400000000, -0.0000950900000000 ] - [ -0.0019557100000000, -0.0009778900000000, 0.0006304000000000 ] - [ 0.0002496200000000, 0.0010902300000000, -0.0001293000000000 ]- atom: 17 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0019719500000000, -0.0016124700000000, 0.0000564100000000 ] - [ -0.0006009100000000, 0.0008535700000000, 0.0004045200000000 ] - [ -0.0303657200000000, 0.0037029400000000, 0.0120500300000000 ] - [ -0.0000478500000000, -0.0000322100000000, 0.0000053200000000 ] - [ -0.0019452600000000, 0.0016623800000000, -0.0000626600000000 ] - [ -0.0005712700000000, -0.0008043900000000, 0.0002944100000000 ] - [ -0.0299489800000000, -0.0037584100000000, 0.0119297500000000 ] - [ -0.0000270900000000, -0.0000098600000000, -0.0000188400000000 ] - [ -0.0036030500000000, -0.0011797200000000, 0.0059618700000000 ] - [ -0.0002709400000000, 0.0000188000000000, 0.0000280800000000 ] - [ -0.0060396100000000, 0.0001415300000000, 0.0100362800000000 ] - [ -0.0001021700000000, 0.0001777700000000, 0.0001086900000000 ] - [ 0.0016485000000000, 0.0053318100000000, 0.0033541700000000 ] - [ -0.0000197000000000, -0.0005025500000000, 0.0001770500000000 ] - [ 0.0023622000000000, -0.0001453900000000, -0.0076232000000000 ] - [ 0.0027606700000000, -0.0001541600000000, -0.0005407500000000 ] - [ 0.2281072000000000, 0.0041768900000000, -0.2683307700000000 ] - [ 0.0000691000000000, -0.0001409500000000, -0.0000988500000000 ] - [ -0.0005184300000000, 0.0000869700000000, 0.0000682400000000 ] - [ -0.0007533400000000, 0.0000867700000000, 0.0001650000000000 ] - [ -0.0056807800000000, -0.0001058000000000, -0.0004720000000000 ] - [ -0.0000573700000000, -0.0001030700000000, 0.0000125200000000 ] - [ 0.0017815600000000, -0.0052484500000000, 0.0033580500000000 ] - [ 0.0001506800000000, 0.0005258400000000, 0.0001952200000000 ] - [ -0.0032313700000000, 0.0011826800000000, 0.0060445400000000 ] - [ 0.0000868400000000, 0.0000136000000000, 0.0001145300000000 ] - [ 0.0001218500000000, -0.0000254300000000, 0.0000796500000000 ] - [ 0.0008556400000000, -0.0000264000000000, 0.0003207600000000 ] - [ -0.0033535800000000, 0.0011709700000000, 0.0006793700000000 ] - [ -0.0000535300000000, -0.0000469500000000, 0.0003489600000000 ] - [ 0.0145944500000000, -0.0313724400000000, 0.0137967400000000 ] - [ 0.0002532300000000, 0.0001994500000000, 0.0003135000000000 ] - [ 0.0048279100000000, -0.0035298900000000, -0.0057373800000000 ] - [ -0.0002147200000000, 0.0003507900000000, -0.0000336800000000 ] - [ 0.0027070500000000, -0.0082897600000000, -0.0108525800000000 ] - [ 0.0000953600000000, 0.0001082300000000, -0.0005744400000000 ] - [ 0.0029114700000000, 0.0082296100000000, -0.0105564200000000 ] - [ 0.0002791500000000, -0.0000559400000000, -0.0003777800000000 ] - [ 0.0052602700000000, 0.0037805500000000, -0.0059273500000000 ] - [ 0.0002443900000000, -0.0001023100000000, -0.0002255700000000 ] - [ 0.0146105500000000, 0.0312795400000000, 0.0131001500000000 ] - [ 0.0002228000000000, -0.0002173700000000, -0.0003642000000000 ] - [ -0.0033774900000000, -0.0011427800000000, 0.0003009900000000 ] - [ -0.0000971000000000, 0.0000700000000000, -0.0000541200000000 ] - [ -0.0014677800000000, 0.0000144900000000, 0.0017395900000000 ] - [ -0.0014441300000000, 0.0000261200000000, 0.0014940500000000 ] - [ -0.0003326200000000, 0.0003240900000000, -0.0007649300000000 ] - [ -0.0001862800000000, -0.0000236100000000, -0.0001486800000000 ] - [ -0.0007657500000000, -0.0002755800000000, -0.0005575300000000 ] - [ 0.0001900900000000, 0.0000257400000000, -0.0000067400000000 ] - [ 0.0043735000000000, 0.0010489000000000, -0.0048868600000000 ] - [ 0.0000607600000000, 0.0000470600000000, -0.0001078100000000 ] - [ 0.0015412500000000, -0.0000049800000000, -0.0015426500000000 ] - [ 0.0004563300000000, -0.0001339700000000, -0.0002872800000000 ] - [ 0.0004011500000000, 0.0003869400000000, -0.0007738000000000 ] - [ 0.0005202600000000, -0.0015349200000000, -0.0007302800000000 ] - [ 0.0036377900000000, -0.0030335600000000, -0.0083059300000000 ] - [ -0.0000114700000000, 0.0001106300000000, -0.0000344600000000 ] - [ 0.0001425500000000, -0.0000462900000000, 0.0000792500000000 ] - [ 0.0011236300000000, -0.0000347700000000, -0.0001540300000000 ] - [ 0.0028244300000000, -0.0008482100000000, -0.0001441700000000 ] - [ 0.0000104100000000, 0.0000958700000000, 0.0000907400000000 ] - [ -0.0001510900000000, 0.0042284100000000, -0.0095789900000000 ] - [ 0.0000472200000000, -0.0001132000000000, -0.0001664700000000 ] - [ -0.0002370100000000, 0.0002283800000000, -0.0001227900000000 ] - [ -0.0048132500000000, -0.0009566200000000, 0.0038137800000000 ] - [ -0.0002841100000000, 0.0001198100000000, 0.0012388800000000 ] - [ 0.0002743800000000, -0.0004103300000000, 0.0000675900000000 ] - [ 0.0041882100000000, 0.0020770100000000, 0.0030597700000000 ] - [ 0.0000384700000000, -0.0000008000000000, -0.0000104800000000 ] - [ -0.0004983700000000, 0.0110634100000000, 0.0029675300000000 ] - [ -0.0004625600000000, -0.0004468900000000, -0.0000775700000000 ] - [ -0.0505287300000000, -0.0660009400000000, 0.1047526900000000 ] - [ -0.0000564700000000, 0.0000303600000000, -0.0000351200000000 ] - [ 0.0000583500000000, 0.0007516400000000, 0.0013808600000000 ] - [ -0.0009139100000000, -0.0042359300000000, 0.0006896100000000 ] - [ -0.0475231700000000, 0.0249379900000000, 0.0171844600000000 ] - [ -0.0000654600000000, 0.0000160500000000, 0.0000438200000000 ] - [ -0.0127694500000000, 0.0038196200000000, 0.0044863600000000 ] - [ -0.0004696700000000, 0.0000238100000000, 0.0000169400000000 ] - [ 0.0000640400000000, 0.0000158500000000, -0.0000334300000000 ] - [ 0.0041558100000000, -0.0021259300000000, 0.0022712300000000 ] - [ 0.0000240600000000, -0.0000476200000000, 0.0001665700000000 ] - [ 0.0041545100000000, 0.0021176000000000, 0.0025048300000000 ] - [ -0.0121337900000000, -0.0038475300000000, 0.0045941700000000 ] - [ 0.0001451600000000, -0.0000505900000000, 0.0001410700000000 ] - [ -0.0000212400000000, -0.0007287100000000, 0.0014287700000000 ] - [ -0.0009980400000000, 0.0042956900000000, 0.0007399400000000 ] - [ -0.0470875300000000, -0.0246121700000000, 0.0176817400000000 ] - [ 0.0000096300000000, -0.0000851700000000, 0.0001305800000000 ] - [ -0.0004804500000000, -0.0111369500000000, 0.0029274100000000 ] - [ -0.0004386200000000, 0.0003839200000000, -0.0001306200000000 ] - [ -0.0484827000000000, 0.0616237300000000, 0.1000471000000000 ] - [ -0.0000091200000000, 0.0001524300000000, 0.0001037700000000 ] - [ -0.0003272100000000, -0.0004876700000000, 0.0011804700000000 ] - [ 0.0002297500000000, 0.0000438000000000, 0.0000093200000000 ] - [ 0.0041513400000000, -0.0019505700000000, 0.0030557000000000 ] - [ 0.0000009200000000, 0.0001210200000000, 0.0000038300000000 ] - [ -0.0002084700000000, -0.0002006200000000, 0.0005064100000000 ] - [ -0.0047504700000000, 0.0009669400000000, 0.0044130500000000 ] - [ -0.0002796300000000, -0.0043184600000000, -0.0094048900000000 ] - [ -0.0000696200000000, 0.0000185800000000, 0.0000444700000000 ] - [ 0.0028664300000000, 0.0010448400000000, -0.0003869000000000 ] - [ 0.0000606600000000, 0.0001000800000000, -0.0001404800000000 ] - [ 0.0002221500000000, -0.0001288400000000, -0.0001108400000000 ] - [ 0.0011979000000000, -0.0001404400000000, -0.0003506300000000 ] - [ 0.0006154600000000, -0.0003698700000000, -0.0007606500000000 ] - [ 0.0007304900000000, 0.0015325800000000, -0.0007181700000000 ] - [ 0.0037683800000000, 0.0029644700000000, -0.0082558100000000 ] - [ 0.0001428500000000, -0.0001583700000000, -0.0000394000000000 ] - [ 0.0012863900000000, -0.0000489400000000, -0.0015027700000000 ] - [ 0.0001971500000000, 0.0000669200000000, -0.0002520000000000 ] - [ 0.0043279400000000, -0.0009348900000000, -0.0047389100000000 ] - [ 0.0000352400000000, 0.0000317600000000, 0.0000444100000000 ] - [ -0.0010531500000000, 0.0002704800000000, -0.0004775500000000 ] - [ -0.0000895800000000, -0.0000372200000000, 0.0000733300000000 ] - [ -0.0000605500000000, -0.0002565300000000, -0.0007612600000000 ] - [ 0.0000977400000000, 0.0000966800000000, -0.0001274000000000 ]- atom: 19 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0219918000000000, -0.0029840800000000, 0.0207424000000000 ] - [ -0.0000146600000000, 0.0000428300000000, 0.0001122500000000 ] - [ 0.0008669900000000, 0.0014426900000000, 0.0016545200000000 ] - [ 0.0003036200000000, -0.0008546500000000, 0.0005757100000000 ] - [ 0.0218124900000000, 0.0030765700000000, 0.0203383800000000 ] - [ 0.0000154400000000, 0.0000203900000000, -0.0000160300000000 ] - [ 0.0008912700000000, -0.0015142200000000, 0.0016377200000000 ] - [ 0.0003332300000000, 0.0007846600000000, 0.0005510300000000 ] - [ -0.0059203700000000, 0.0021277300000000, -0.0009399200000000 ] - [ -0.0002698600000000, -0.0001252800000000, -0.0000169500000000 ] - [ 0.0004022100000000, 0.0001516700000000, 0.0004358100000000 ] - [ 0.0001277500000000, 0.0001529100000000, 0.0004291100000000 ] - [ 0.0000271200000000, 0.0000321400000000, -0.0000804400000000 ] - [ 0.0020397100000000, -0.0004251000000000, 0.0005922600000000 ] - [ 0.0122790300000000, -0.0000888100000000, -0.0000193500000000 ] - [ 0.0001833400000000, -0.0001226600000000, 0.0000373000000000 ] - [ 0.0020353200000000, -0.0001710400000000, 0.0005604100000000 ] - [ 0.0021133900000000, -0.0001784800000000, 0.0003338000000000 ] - [ -0.2996462600000000, -0.0040706000000000, -0.0661503900000000 ] - [ -0.0001568400000000, 0.0001106500000000, 0.0000286100000000 ] - [ -0.0075137200000000, -0.0001331200000000, 0.0014320700000000 ] - [ -0.0021195500000000, -0.0001263800000000, -0.0013940200000000 ] - [ 0.0002047800000000, -0.0000278000000000, -0.0000615100000000 ] - [ 0.0022346500000000, 0.0004324600000000, 0.0005794600000000 ] - [ -0.0055467300000000, -0.0020939800000000, -0.0008561000000000 ] - [ 0.0000981400000000, 0.0001656300000000, 0.0000497500000000 ] - [ -0.0012640700000000, -0.0000262800000000, -0.0009606000000000 ] - [ -0.0000262900000000, -0.0000260400000000, -0.0001039200000000 ] - [ -0.0004040200000000, -0.0000422200000000, 0.0001166800000000 ] - [ -0.0147585300000000, -0.0055854500000000, -0.0024239300000000 ] - [ 0.0087945100000000, 0.0016201700000000, -0.0004923500000000 ] - [ 0.0002309500000000, -0.0000178300000000, 0.0003996100000000 ] - [ 0.0063436700000000, 0.0313702900000000, -0.0187129300000000 ] - [ -0.0003197100000000, -0.0001874400000000, -0.0001385200000000 ] - [ 0.0000500900000000, -0.0006371900000000, -0.0003029200000000 ] - [ 0.0057866500000000, 0.0065829700000000, -0.0026397400000000 ] - [ 0.0002476000000000, 0.0006626000000000, -0.0001281300000000 ] - [ 0.0060068700000000, -0.0066307800000000, -0.0024914900000000 ] - [ 0.0067713100000000, -0.0310281000000000, -0.0188847800000000 ] - [ 0.0001341600000000, 0.0004485700000000, -0.0002707900000000 ] - [ 0.0087280400000000, -0.0015930700000000, -0.0012439900000000 ] - [ 0.0001751300000000, 0.0000125600000000, -0.0003419000000000 ] - [ -0.0004631600000000, 0.0000340700000000, -0.0003048800000000 ] - [ -0.0149583500000000, 0.0057059800000000, -0.0028076100000000 ] - [ 0.0030859700000000, 0.0000503200000000, 0.0061002600000000 ] - [ 0.0000231700000000, 0.0000453200000000, 0.0000416800000000 ] - [ -0.0000580400000000, 0.0000308100000000, -0.0000015400000000 ] - [ 0.0024642500000000, 0.0019730300000000, -0.0021311400000000 ] - [ 0.0084646200000000, 0.0045568700000000, 0.0087950200000000 ] - [ 0.0002684800000000, -0.0000107900000000, 0.0000671900000000 ] - [ 0.0008996200000000, -0.0003374000000000, -0.0006895700000000 ] - [ -0.0000697800000000, 0.0001892500000000, -0.0003092400000000 ] - [ -0.0004227600000000, -0.0005517600000000, -0.0053868200000000 ] - [ 0.0001133000000000, 0.0000135400000000, -0.0000418700000000 ] - [ -0.0014136100000000, 0.0003877400000000, -0.0023463100000000 ] - [ -0.0001191000000000, 0.0000055900000000, -0.0000154300000000 ] - [ -0.0001806600000000, -0.0000414800000000, -0.0001762100000000 ] - [ -0.0006689100000000, 0.0000556800000000, -0.0004561900000000 ] - [ 0.0318911500000000, -0.0131905000000000, 0.0222807000000000 ] - [ 0.0000559200000000, -0.0000916100000000, 0.0000835600000000 ] - [ 0.0011326200000000, -0.0003696700000000, -0.0004087900000000 ] - [ 0.0020209500000000, 0.0033600900000000, 0.0006766100000000 ] - [ -0.0007234100000000, -0.0000911300000000, 0.0012862900000000 ] - [ 0.0000362700000000, -0.0000630100000000, -0.0001462300000000 ] - [ -0.0018951800000000, -0.0005661800000000, 0.0012738700000000 ] - [ -0.0001381100000000, 0.0001091900000000, -0.0001539100000000 ] - [ 0.1012429000000000, 0.0556707200000000, 0.0020370400000000 ] - [ 0.0000737300000000, -0.0001012100000000, 0.0000280700000000 ] - [ 0.0027129600000000, -0.0105268700000000, -0.0007570800000000 ] - [ 0.0002347400000000, 0.0005249400000000, 0.0002961600000000 ] - [ -0.0060170500000000, -0.0016656700000000, -0.0012636800000000 ] - [ -0.0000773500000000, -0.0000425700000000, -0.0000061400000000 ] - [ -0.0025782200000000, 0.0002947100000000, -0.0005980400000000 ] - [ -0.0004062200000000, 0.0002834500000000, -0.0002268800000000 ] - [ -0.0077588000000000, 0.0031031800000000, 0.0008009700000000 ] - [ -0.0000336800000000, -0.0001726200000000, -0.0000705900000000 ] - [ -0.0007132200000000, -0.0006088600000000, -0.0000355900000000 ] - [ -0.0014321300000000, 0.0020912600000000, -0.0005944000000000 ] - [ -0.0103158400000000, 0.0036355200000000, 0.0046409600000000 ] - [ -0.0004245900000000, -0.0000887500000000, -0.0000064100000000 ] - [ 0.0046180000000000, 0.0043998600000000, 0.0049438000000000 ] - [ 0.0002597000000000, -0.0002238800000000, 0.0000141600000000 ] - [ 0.0045189700000000, -0.0043756000000000, 0.0051087300000000 ] - [ 0.0002109400000000, 0.0001917000000000, 0.0002251300000000 ] - [ -0.0096768000000000, -0.0036640600000000, 0.0047238200000000 ] - [ 0.0001829800000000, 0.0000669600000000, 0.0000998300000000 ] - [ -0.0077904400000000, -0.0030582200000000, 0.0008504900000000 ] - [ -0.0001142200000000, 0.0001947100000000, -0.0000155100000000 ] - [ -0.0006252900000000, 0.0005439300000000, 0.0000513500000000 ] - [ -0.0013415700000000, -0.0021365700000000, -0.0005035400000000 ] - [ -0.0059879500000000, 0.0015618400000000, -0.0012910500000000 ] - [ -0.0000575100000000, -0.0000240600000000, -0.0000515700000000 ] - [ -0.0025172600000000, -0.0001008600000000, -0.0004646400000000 ] - [ -0.0003451900000000, -0.0000763900000000, -0.0000898100000000 ] - [ 0.0965929400000000, -0.0519370500000000, 0.0020072900000000 ] - [ 0.0000269700000000, -0.0002677800000000, -0.0000326200000000 ] - [ 0.0026746900000000, 0.0106716300000000, -0.0007518900000000 ] - [ 0.0001850000000000, -0.0003925900000000, 0.0003018400000000 ] - [ -0.0018860300000000, 0.0006034900000000, 0.0019209800000000 ] - [ -0.0001163800000000, -0.0000800500000000, 0.0004682300000000 ] - [ -0.0008385800000000, -0.0000099300000000, 0.0015152200000000 ] - [ -0.0000847700000000, -0.0000312400000000, 0.0000754200000000 ] - [ 0.0011790900000000, 0.0005652100000000, -0.0006664200000000 ] - [ 0.0020795100000000, -0.0032027200000000, 0.0004324600000000 ] - [ 0.0321201500000000, 0.0128686800000000, 0.0218022200000000 ] - [ 0.0001422100000000, -0.0000797600000000, -0.0001214300000000 ] - [ -0.0012215300000000, -0.0003736800000000, -0.0023197900000000 ] - [ 0.0000783600000000, 0.0000137500000000, 0.0000010200000000 ] - [ -0.0000418300000000, 0.0000005100000000, -0.0001707300000000 ] - [ -0.0005325300000000, -0.0000976800000000, -0.0004472400000000 ] - [ -0.0006775800000000, 0.0004981200000000, -0.0053334800000000 ] - [ -0.0001259200000000, -0.0000628300000000, 0.0000095100000000 ] - [ 0.0008763000000000, 0.0004253300000000, -0.0005330600000000 ] - [ -0.0000937100000000, -0.0001028100000000, -0.0001509100000000 ] - [ 0.0082275800000000, -0.0045681200000000, 0.0088957400000000 ] - [ -0.0000002500000000, -0.0000015500000000, 0.0001541300000000 ] - [ 0.0002120900000000, 0.0000379100000000, 0.0000449800000000 ] - [ 0.0027687400000000, -0.0019243200000000, -0.0021126800000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025792500000000, -0.0190540600000000, 0.0053712100000000 ] - [ 0.0000695600000000, 0.0026504900000000, 0.0000546300000000 ] - [ 0.0012842000000000, 0.0026849600000000, 0.0014306700000000 ] - [ -0.0018951400000000, 0.0027521600000000, -0.0005305400000000 ] - [ 0.0025792500000000, -0.0190540600000000, -0.0053712100000000 ] - [ -0.0000695600000000, 0.0026504900000000, -0.0000546300000000 ] - [ -0.0012842000000000, 0.0026849600000000, -0.0014306700000000 ] - [ 0.0018951400000000, 0.0027521600000000, 0.0005305400000000 ] - [ 0.0065544700000000, -0.0032824100000000, 0.0070209600000000 ] - [ -0.0003083400000000, 0.0035859000000000, -0.0003250000000000 ] - [ 0.0000000000000000, 0.0025448100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022921400000000, 0.0000000000000000 ] - [ -0.0003844300000000, 0.0030494500000000, -0.0000816000000000 ] - [ 0.0025075100000000, -0.0025530000000000, 0.0024907600000000 ] - [ 0.0000000000000000, -0.0117778300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039575200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026265300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029045500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.2547575700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0045762900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0074529600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076779300000000, 0.0000000000000000 ] - [ 0.0003844300000000, 0.0030494500000000, 0.0000816000000000 ] - [ -0.0025075100000000, -0.0025530000000000, -0.0024907600000000 ] - [ -0.0065544700000000, -0.0032824100000000, -0.0070209600000000 ] - [ 0.0003083400000000, 0.0035859000000000, 0.0003250000000000 ] - [ 0.0000000000000000, -0.0006082000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003154900000000, 0.0000000000000000 ] - [ -0.0001572400000000, 0.0047154800000000, 0.0006229600000000 ] - [ 0.0035752900000000, 0.0218492800000000, -0.0200134000000000 ] - [ -0.0049796300000000, -0.0028476800000000, 0.0015317800000000 ] - [ 0.0002661200000000, 0.0037978300000000, 0.0004192400000000 ] - [ 0.0185298000000000, 0.0226812400000000, -0.0107137600000000 ] - [ -0.0005955300000000, 0.0050825800000000, 0.0004238400000000 ] - [ -0.0004467200000000, 0.0041711000000000, -0.0000716000000000 ] - [ 0.0126803600000000, -0.0039211800000000, 0.0034275600000000 ] - [ 0.0004467200000000, 0.0041711000000000, 0.0000716000000000 ] - [ -0.0126803600000000, -0.0039211800000000, -0.0034275600000000 ] - [ -0.0185298000000000, 0.0226812400000000, 0.0107137600000000 ] - [ 0.0005955300000000, 0.0050825800000000, -0.0004238400000000 ] - [ 0.0049796300000000, -0.0028476800000000, -0.0015317800000000 ] - [ -0.0002661200000000, 0.0037978300000000, -0.0004192400000000 ] - [ 0.0001572400000000, 0.0047154800000000, -0.0006229600000000 ] - [ -0.0035752900000000, 0.0218492800000000, 0.0200134000000000 ] - [ 0.0000000000000000, -0.0112630500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0042250500000000, 0.0000000000000000 ] - [ -0.0001514300000000, -0.0011550900000000, -0.0003020300000000 ] - [ -0.0011567400000000, -0.0014470600000000, 0.0064323500000000 ] - [ -0.0005693800000000, -0.0046588700000000, -0.0095291700000000 ] - [ 0.0001878900000000, -0.0018110100000000, 0.0001316400000000 ] - [ -0.0014876400000000, -0.0008160900000000, -0.0015124300000000 ] - [ -0.0001642900000000, -0.0023271600000000, 0.0003967100000000 ] - [ -0.0018971000000000, 0.0080039400000000, -0.0018299200000000 ] - [ 0.0009104100000000, -0.0026044800000000, 0.0002212800000000 ] - [ -0.0011795600000000, 0.0051954700000000, 0.0007370000000000 ] - [ 0.0007602400000000, -0.0024883100000000, -0.0002247300000000 ] - [ -0.0007092900000000, -0.0020651700000000, -0.0000452100000000 ] - [ -0.0001788900000000, -0.0004667700000000, 0.0000756300000000 ] - [ -0.0142616100000000, 0.0510405200000000, -0.0416268500000000 ] - [ -0.0005373200000000, -0.0030564000000000, 0.0008185300000000 ] - [ 0.0002921500000000, -0.0034908900000000, -0.0013267900000000 ] - [ 0.0012961600000000, -0.0059767400000000, 0.0006135300000000 ] - [ 0.0015723600000000, 0.0013983400000000, 0.0003448500000000 ] - [ 0.0000182200000000, -0.0014942400000000, -0.0002215100000000 ] - [ -0.0028659200000000, 0.0015526400000000, -0.0008357600000000 ] - [ 0.0001491700000000, -0.0012713300000000, -0.0003581200000000 ] - [ 0.0583057400000000, 0.0634816000000000, -0.0032819900000000 ] - [ -0.0003430400000000, -0.0032621100000000, 0.0008122300000000 ] - [ -0.0010974900000000, -0.0061596600000000, -0.0010210900000000 ] - [ 0.0011069700000000, -0.0037497700000000, -0.0009491100000000 ] - [ -0.0001837900000000, 0.0049786700000000, 0.0002841400000000 ] - [ -0.0004980900000000, -0.0026916500000000, -0.0006802000000000 ] - [ 0.0004580500000000, -0.0004987900000000, -0.0002205000000000 ] - [ 0.0004498700000000, -0.0021995600000000, 0.0005701700000000 ] - [ 0.0027590100000000, 0.0086032200000000, 0.0015874900000000 ] - [ -0.0003728900000000, -0.0027947300000000, -0.0007723400000000 ] - [ -0.0002050000000000, -0.0026523300000000, 0.0005537800000000 ] - [ 0.0021781300000000, -0.0010347900000000, 0.0009791200000000 ] - [ 0.0075102500000000, -0.0016064200000000, -0.0029234900000000 ] - [ -0.0006609500000000, -0.0015155200000000, 0.0000289600000000 ] - [ 0.0104687900000000, -0.0047553300000000, -0.0024864400000000 ] - [ -0.0002174100000000, -0.0016496000000000, -0.0000799500000000 ] - [ -0.0104687900000000, -0.0047553300000000, 0.0024864400000000 ] - [ 0.0002174100000000, -0.0016496000000000, 0.0000799500000000 ] - [ -0.0075102500000000, -0.0016064200000000, 0.0029234900000000 ] - [ 0.0006609500000000, -0.0015155200000000, -0.0000289600000000 ] - [ -0.0027590100000000, 0.0086032200000000, -0.0015874900000000 ] - [ 0.0003728900000000, -0.0027947300000000, 0.0007723400000000 ] - [ 0.0002050000000000, -0.0026523300000000, -0.0005537800000000 ] - [ -0.0021781300000000, -0.0010347900000000, -0.0009791200000000 ] - [ 0.0001837900000000, 0.0049786700000000, -0.0002841400000000 ] - [ 0.0004980900000000, -0.0026916500000000, 0.0006802000000000 ] - [ -0.0004580500000000, -0.0004987900000000, 0.0002205000000000 ] - [ -0.0004498700000000, -0.0021995600000000, -0.0005701700000000 ] - [ -0.0583057400000000, 0.0634816000000000, 0.0032819900000000 ] - [ 0.0003430400000000, -0.0032621100000000, -0.0008122300000000 ] - [ 0.0010974900000000, -0.0061596600000000, 0.0010210900000000 ] - [ -0.0011069700000000, -0.0037497700000000, 0.0009491100000000 ] - [ 0.0028659200000000, 0.0015526400000000, 0.0008357600000000 ] - [ -0.0001491700000000, -0.0012713300000000, 0.0003581200000000 ] - [ -0.0015723600000000, 0.0013983400000000, -0.0003448500000000 ] - [ -0.0000182200000000, -0.0014942400000000, 0.0002215100000000 ] - [ -0.0002921500000000, -0.0034908900000000, 0.0013267900000000 ] - [ -0.0012961600000000, -0.0059767400000000, -0.0006135300000000 ] - [ 0.0142616100000000, 0.0510405200000000, 0.0416268500000000 ] - [ 0.0005373200000000, -0.0030564000000000, -0.0008185300000000 ] - [ 0.0011795600000000, 0.0051954700000000, -0.0007370000000000 ] - [ -0.0007602400000000, -0.0024883100000000, 0.0002247300000000 ] - [ 0.0007092900000000, -0.0020651700000000, 0.0000452100000000 ] - [ 0.0001788900000000, -0.0004667700000000, -0.0000756300000000 ] - [ 0.0018971000000000, 0.0080039400000000, 0.0018299200000000 ] - [ -0.0009104100000000, -0.0026044800000000, -0.0002212800000000 ] - [ 0.0014876400000000, -0.0008160900000000, 0.0015124300000000 ] - [ 0.0001642900000000, -0.0023271600000000, -0.0003967100000000 ] - [ 0.0005693800000000, -0.0046588700000000, 0.0095291700000000 ] - [ -0.0001878900000000, -0.0018110100000000, -0.0001316400000000 ] - [ 0.0001514300000000, -0.0011550900000000, 0.0003020300000000 ] - [ 0.0011567400000000, -0.0014470600000000, -0.0064323500000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024444200000000, 0.0191017600000000, -0.0053111900000000 ] - [ -0.0000957500000000, -0.0026015900000000, 0.0000645500000000 ] - [ -0.0012975300000000, -0.0027420600000000, -0.0014034600000000 ] - [ 0.0018805200000000, -0.0028063000000000, 0.0005660900000000 ] - [ -0.0024444200000000, 0.0191017600000000, 0.0053111900000000 ] - [ 0.0000957500000000, -0.0026015900000000, -0.0000645500000000 ] - [ 0.0012975300000000, -0.0027420600000000, 0.0014034600000000 ] - [ -0.0018805200000000, -0.0028063000000000, -0.0005660900000000 ] - [ -0.0068794400000000, 0.0033011000000000, -0.0070552500000000 ] - [ -0.0000577400000000, -0.0035433900000000, 0.0002510300000000 ] - [ 0.0000000000000000, -0.0022207600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019553000000000, 0.0000000000000000 ] - [ 0.0002067000000000, -0.0030369300000000, 0.0000645700000000 ] - [ -0.0026950100000000, 0.0025808700000000, -0.0024925300000000 ] - [ 0.0000000000000000, 0.0115273300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0042239700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029544200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032208000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.2543999200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0043757900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0076639900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079354300000000, 0.0000000000000000 ] - [ -0.0002067000000000, -0.0030369300000000, -0.0000645700000000 ] - [ 0.0026950100000000, 0.0025808700000000, 0.0024925300000000 ] - [ 0.0068794400000000, 0.0033011000000000, 0.0070552500000000 ] - [ 0.0000577400000000, -0.0035433900000000, -0.0002510300000000 ] - [ 0.0000000000000000, 0.0005587300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003661400000000, 0.0000000000000000 ] - [ 0.0002073700000000, -0.0047016900000000, -0.0002061900000000 ] - [ -0.0034042100000000, -0.0218238200000000, 0.0206825000000000 ] - [ 0.0050311100000000, 0.0028223400000000, -0.0008287000000000 ] - [ -0.0002225300000000, -0.0038048000000000, 0.0002982100000000 ] - [ -0.0187238700000000, -0.0224217700000000, 0.0108694100000000 ] - [ 0.0001397300000000, -0.0048283400000000, -0.0002717000000000 ] - [ 0.0002542300000000, -0.0041339800000000, -0.0001151600000000 ] - [ -0.0129566200000000, 0.0039896800000000, -0.0036360700000000 ] - [ -0.0002542300000000, -0.0041339800000000, 0.0001151600000000 ] - [ 0.0129566200000000, 0.0039896800000000, 0.0036360700000000 ] - [ 0.0187238700000000, -0.0224217700000000, -0.0108694100000000 ] - [ -0.0001397300000000, -0.0048283400000000, 0.0002717000000000 ] - [ -0.0050311100000000, 0.0028223400000000, 0.0008287000000000 ] - [ 0.0002225300000000, -0.0038048000000000, -0.0002982100000000 ] - [ -0.0002073700000000, -0.0047016900000000, 0.0002061900000000 ] - [ 0.0034042100000000, -0.0218238200000000, -0.0206825000000000 ] - [ 0.0000000000000000, 0.0113102400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041597800000000, 0.0000000000000000 ] - [ -0.0001272100000000, 0.0012280400000000, 0.0002656000000000 ] - [ 0.0008448200000000, 0.0014931200000000, -0.0064541100000000 ] - [ 0.0008844400000000, 0.0046268500000000, 0.0093885600000000 ] - [ 0.0000910500000000, 0.0018005000000000, -0.0002163400000000 ] - [ 0.0015056900000000, 0.0008996200000000, 0.0013499500000000 ] - [ 0.0001875400000000, 0.0024051700000000, -0.0005577700000000 ] - [ 0.0021475400000000, -0.0080474200000000, 0.0017875900000000 ] - [ -0.0006506500000000, 0.0025391300000000, -0.0002641500000000 ] - [ 0.0009790400000000, -0.0051837600000000, -0.0007528300000000 ] - [ -0.0009716200000000, 0.0025027700000000, 0.0002073100000000 ] - [ 0.0005577600000000, 0.0020215600000000, 0.0000446900000000 ] - [ 0.0000272700000000, 0.0004127400000000, -0.0000806200000000 ] - [ 0.0149965800000000, -0.0521907500000000, 0.0438149800000000 ] - [ 0.0004608100000000, 0.0028840000000000, -0.0006268700000000 ] - [ -0.0003397400000000, 0.0036841400000000, 0.0015622000000000 ] - [ -0.0013574600000000, 0.0061596500000000, -0.0004035700000000 ] - [ -0.0014613100000000, -0.0014859600000000, -0.0005472800000000 ] - [ 0.0000916800000000, 0.0013985000000000, 0.0000007500000000 ] - [ 0.0028554100000000, -0.0015288500000000, 0.0001969100000000 ] - [ -0.0001775000000000, 0.0013023800000000, -0.0002755700000000 ] - [ -0.0556363000000000, -0.0626227100000000, 0.0033133300000000 ] - [ 0.0003867900000000, 0.0028893900000000, -0.0007501800000000 ] - [ 0.0011115200000000, 0.0062922400000000, 0.0010090200000000 ] - [ -0.0010700500000000, 0.0038799000000000, 0.0009404500000000 ] - [ 0.0001704200000000, -0.0050458800000000, -0.0002362000000000 ] - [ 0.0004721600000000, 0.0026183200000000, 0.0007199100000000 ] - [ -0.0005160600000000, 0.0007001200000000, 0.0000753600000000 ] - [ -0.0005022400000000, 0.0023902800000000, -0.0007160900000000 ] - [ -0.0026832300000000, -0.0086011300000000, -0.0016459800000000 ] - [ 0.0004535000000000, 0.0028201600000000, 0.0007242900000000 ] - [ 0.0001219400000000, 0.0025954100000000, -0.0006422600000000 ] - [ -0.0022683900000000, 0.0009730900000000, -0.0010710800000000 ] - [ -0.0081387200000000, 0.0016109000000000, 0.0028281900000000 ] - [ 0.0000483400000000, 0.0014877800000000, -0.0001600200000000 ] - [ -0.0104900300000000, 0.0047597600000000, 0.0023518500000000 ] - [ 0.0002594400000000, 0.0016199600000000, -0.0001169300000000 ] - [ 0.0104900300000000, 0.0047597600000000, -0.0023518500000000 ] - [ -0.0002594400000000, 0.0016199600000000, 0.0001169300000000 ] - [ 0.0081387200000000, 0.0016109000000000, -0.0028281900000000 ] - [ -0.0000483400000000, 0.0014877800000000, 0.0001600200000000 ] - [ 0.0026832300000000, -0.0086011300000000, 0.0016459800000000 ] - [ -0.0004535000000000, 0.0028201600000000, -0.0007242900000000 ] - [ -0.0001219400000000, 0.0025954100000000, 0.0006422600000000 ] - [ 0.0022683900000000, 0.0009730900000000, 0.0010710800000000 ] - [ -0.0001704200000000, -0.0050458800000000, 0.0002362000000000 ] - [ -0.0004721600000000, 0.0026183200000000, -0.0007199100000000 ] - [ 0.0005160600000000, 0.0007001200000000, -0.0000753600000000 ] - [ 0.0005022400000000, 0.0023902800000000, 0.0007160900000000 ] - [ 0.0556363000000000, -0.0626227100000000, -0.0033133300000000 ] - [ -0.0003867900000000, 0.0028893900000000, 0.0007501800000000 ] - [ -0.0011115200000000, 0.0062922400000000, -0.0010090200000000 ] - [ 0.0010700500000000, 0.0038799000000000, -0.0009404500000000 ] - [ -0.0028554100000000, -0.0015288500000000, -0.0001969100000000 ] - [ 0.0001775000000000, 0.0013023800000000, 0.0002755700000000 ] - [ 0.0014613100000000, -0.0014859600000000, 0.0005472800000000 ] - [ -0.0000916800000000, 0.0013985000000000, -0.0000007500000000 ] - [ 0.0003397400000000, 0.0036841400000000, -0.0015622000000000 ] - [ 0.0013574600000000, 0.0061596500000000, 0.0004035700000000 ] - [ -0.0149965800000000, -0.0521907500000000, -0.0438149800000000 ] - [ -0.0004608100000000, 0.0028840000000000, 0.0006268700000000 ] - [ -0.0009790400000000, -0.0051837600000000, 0.0007528300000000 ] - [ 0.0009716200000000, 0.0025027700000000, -0.0002073100000000 ] - [ -0.0005577600000000, 0.0020215600000000, -0.0000446900000000 ] - [ -0.0000272700000000, 0.0004127400000000, 0.0000806200000000 ] - [ -0.0021475400000000, -0.0080474200000000, -0.0017875900000000 ] - [ 0.0006506500000000, 0.0025391300000000, 0.0002641500000000 ] - [ -0.0015056900000000, 0.0008996200000000, -0.0013499500000000 ] - [ -0.0001875400000000, 0.0024051700000000, 0.0005577700000000 ] - [ -0.0008844400000000, 0.0046268500000000, -0.0093885600000000 ] - [ -0.0000910500000000, 0.0018005000000000, 0.0002163400000000 ] - [ 0.0001272100000000, 0.0012280400000000, -0.0002656000000000 ] - [ -0.0008448200000000, 0.0014931200000000, 0.0064541100000000 ]- atom: 19 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0072083400000000, 0.0064419700000000, -0.0092172200000000 ] - [ 0.0000235200000000, 0.0000065800000000, -0.0000059400000000 ] - [ -0.0002483800000000, -0.0006682000000000, -0.0014118700000000 ] - [ 0.0015462600000000, -0.0007767400000000, -0.0005841700000000 ] - [ 0.0073453500000000, -0.0063928300000000, -0.0092629400000000 ] - [ 0.0000542300000000, 0.0000429600000000, -0.0001280500000000 ] - [ -0.0002273600000000, 0.0006210300000000, -0.0014293900000000 ] - [ 0.0015744400000000, 0.0007373000000000, -0.0006126300000000 ] - [ 0.0057791400000000, 0.0028592900000000, 0.0054673000000000 ] - [ -0.0001635400000000, -0.0003687800000000, 0.0001592400000000 ] - [ 0.0007251700000000, 0.0001780800000000, 0.0008798500000000 ] - [ 0.0006424400000000, 0.0001770700000000, 0.0010040800000000 ] - [ -0.0001164200000000, -0.0000439200000000, 0.0001349200000000 ] - [ 0.0009543300000000, -0.0000324900000000, 0.0041538100000000 ] - [ -0.0061208800000000, -0.0001389600000000, -0.0006082800000000 ] - [ -0.0001334200000000, -0.0001484400000000, -0.0000331700000000 ] - [ -0.0013698600000000, -0.0001447100000000, -0.0004152300000000 ] - [ -0.0015127200000000, -0.0001466600000000, -0.0002660400000000 ] - [ 0.0906782100000000, 0.0005652700000000, -0.1473267100000000 ] - [ 0.0001031900000000, 0.0000879100000000, -0.0001571800000000 ] - [ 0.0048973500000000, -0.0001071300000000, -0.0022835700000000 ] - [ -0.0001702300000000, -0.0001018300000000, -0.0062482600000000 ] - [ 0.0000514200000000, 0.0000667800000000, 0.0001554400000000 ] - [ 0.0011436600000000, 0.0000547000000000, 0.0041656200000000 ] - [ 0.0060805600000000, -0.0028217500000000, 0.0055205400000000 ] - [ 0.0001914400000000, 0.0003978800000000, 0.0002456500000000 ] - [ -0.0019515900000000, -0.0000278700000000, 0.0024272700000000 ] - [ -0.0000384700000000, -0.0000258300000000, 0.0001064200000000 ] - [ 0.0002130600000000, 0.0002996200000000, 0.0002540400000000 ] - [ -0.0028847800000000, -0.0253237400000000, 0.0137607600000000 ] - [ -0.0054520500000000, -0.0003567000000000, 0.0025345400000000 ] - [ -0.0001173100000000, -0.0000717100000000, 0.0004780300000000 ] - [ -0.0124890100000000, -0.0216211500000000, 0.0037328300000000 ] - [ -0.0003598000000000, 0.0003711600000000, -0.0000896800000000 ] - [ -0.0002640100000000, 0.0004590200000000, 0.0000096700000000 ] - [ -0.0103783000000000, -0.0029111400000000, -0.0024987000000000 ] - [ -0.0000779200000000, -0.0004130900000000, 0.0002012100000000 ] - [ -0.0101363200000000, 0.0029485300000000, -0.0022745000000000 ] - [ -0.0120928400000000, 0.0218916200000000, 0.0033247200000000 ] - [ 0.0001017400000000, -0.0001209000000000, -0.0002790100000000 ] - [ -0.0054775900000000, 0.0003313800000000, 0.0018730900000000 ] - [ -0.0001487600000000, 0.0000522300000000, -0.0002056500000000 ] - [ 0.0001671500000000, -0.0002796600000000, -0.0001478400000000 ] - [ -0.0031326000000000, 0.0252867300000000, 0.0133549600000000 ] - [ 0.0042298000000000, 0.0000022100000000, 0.0063886500000000 ] - [ 0.0001061100000000, 0.0000185600000000, 0.0001086700000000 ] - [ -0.0001817400000000, -0.0000292300000000, -0.0000843800000000 ] - [ 0.0006901800000000, 0.0020859300000000, -0.0059981900000000 ] - [ -0.0011554900000000, -0.0082832900000000, -0.0046745400000000 ] - [ 0.0002067600000000, 0.0001769400000000, 0.0000579700000000 ] - [ -0.0017286800000000, -0.0010509900000000, -0.0003156000000000 ] - [ -0.0003276300000000, 0.0004518900000000, -0.0005350000000000 ] - [ -0.0036008000000000, -0.0009197200000000, -0.0028052700000000 ] - [ 0.0000653700000000, 0.0000763100000000, -0.0000609700000000 ] - [ -0.0021668900000000, 0.0002479500000000, -0.0021105400000000 ] - [ -0.0001304600000000, 0.0000148800000000, -0.0000358200000000 ] - [ -0.0002835500000000, -0.0001262200000000, -0.0000754100000000 ] - [ -0.0008645200000000, 0.0000729100000000, -0.0009858800000000 ] - [ 0.0053527200000000, -0.0283842200000000, 0.0535845500000000 ] - [ -0.0001094000000000, -0.0001508500000000, 0.0001546400000000 ] - [ -0.0007681000000000, 0.0001809900000000, 0.0006330700000000 ] - [ -0.0010765600000000, 0.0079812000000000, 0.0028855900000000 ] - [ 0.0005709800000000, 0.0002578800000000, -0.0030871100000000 ] - [ 0.0000894400000000, -0.0000901600000000, -0.0002690700000000 ] - [ 0.0027148500000000, 0.0003029800000000, -0.0027015800000000 ] - [ 0.0000870500000000, -0.0000529400000000, -0.0004451000000000 ] - [ -0.0486343200000000, -0.0296922000000000, 0.0174958000000000 ] - [ -0.0000005000000000, -0.0002482500000000, 0.0001270100000000 ] - [ -0.0013545700000000, 0.0065399400000000, 0.0023216000000000 ] - [ -0.0001203400000000, 0.0001658200000000, 0.0010215300000000 ] - [ 0.0028914600000000, 0.0004872000000000, 0.0008114300000000 ] - [ 0.0000261200000000, -0.0000229800000000, 0.0000239200000000 ] - [ 0.0014498700000000, -0.0000440800000000, 0.0000335900000000 ] - [ 0.0001521400000000, -0.0000245300000000, 0.0000885400000000 ] - [ 0.0033974800000000, -0.0009727100000000, 0.0021026900000000 ] - [ 0.0000987300000000, 0.0001410900000000, 0.0000177500000000 ] - [ 0.0003931500000000, 0.0003489500000000, -0.0000154500000000 ] - [ 0.0017426300000000, -0.0017922800000000, 0.0015219400000000 ] - [ 0.0059463600000000, -0.0014297800000000, -0.0017524400000000 ] - [ -0.0002107200000000, 0.0000365600000000, -0.0000579600000000 ] - [ 0.0076268600000000, -0.0076112800000000, 0.0003859900000000 ] - [ -0.0000545700000000, 0.0001590800000000, -0.0001296100000000 ] - [ 0.0075839700000000, 0.0076546000000000, 0.0005835600000000 ] - [ -0.0000962800000000, -0.0001900000000000, 0.0000721400000000 ] - [ 0.0065711900000000, 0.0014136900000000, -0.0016662900000000 ] - [ 0.0004047200000000, -0.0000629200000000, 0.0000643700000000 ] - [ 0.0033191600000000, 0.0009887000000000, 0.0021721800000000 ] - [ 0.0000184900000000, -0.0001132700000000, 0.0000659600000000 ] - [ 0.0004695900000000, -0.0004147100000000, 0.0000724600000000 ] - [ 0.0018248400000000, 0.0017304300000000, 0.0016177700000000 ] - [ 0.0028961800000000, -0.0005502500000000, 0.0007559300000000 ] - [ 0.0000495300000000, -0.0000416400000000, -0.0000253100000000 ] - [ 0.0014958000000000, 0.0002302100000000, 0.0001689000000000 ] - [ 0.0001987000000000, 0.0002111900000000, 0.0002291500000000 ] - [ -0.0494499200000000, 0.0300729200000000, 0.0169892000000000 ] - [ -0.0000476000000000, -0.0001198000000000, 0.0000689500000000 ] - [ -0.0013784300000000, -0.0063796400000000, 0.0023544700000000 ] - [ -0.0001629000000000, -0.0000475900000000, 0.0010377100000000 ] - [ 0.0027304700000000, -0.0002720300000000, -0.0020688600000000 ] - [ 0.0001160700000000, 0.0000798500000000, 0.0001896000000000 ] - [ 0.0004507300000000, -0.0003510600000000, -0.0028935900000000 ] - [ -0.0000280100000000, -0.0000028700000000, -0.0000553100000000 ] - [ -0.0007165200000000, 0.0000188800000000, 0.0003949800000000 ] - [ -0.0010058600000000, -0.0078217600000000, 0.0026644200000000 ] - [ 0.0045562700000000, 0.0270275900000000, 0.0522464300000000 ] - [ -0.0000312800000000, -0.0000229900000000, -0.0000383400000000 ] - [ -0.0019650500000000, -0.0002270300000000, -0.0021036400000000 ] - [ 0.0000801500000000, 0.0000000200000000, -0.0000204100000000 ] - [ -0.0001299000000000, 0.0000780800000000, -0.0000817700000000 ] - [ -0.0007171800000000, -0.0001204200000000, -0.0009912700000000 ] - [ -0.0038333900000000, 0.0008754800000000, -0.0027721800000000 ] - [ -0.0001894700000000, -0.0001355600000000, -0.0000225400000000 ] - [ -0.0017436600000000, 0.0011281700000000, -0.0001652400000000 ] - [ -0.0003533100000000, -0.0003736900000000, -0.0003835200000000 ] - [ -0.0014525400000000, 0.0081819900000000, -0.0046159600000000 ] - [ -0.0000714200000000, -0.0001879700000000, 0.0001381700000000 ] - [ 0.0001018600000000, 0.0001015100000000, -0.0000662700000000 ] - [ 0.0010189700000000, -0.0020145500000000, -0.0059988600000000 ]- atom: 21 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0008787000000000, -0.0014453800000000, 0.0017591500000000 ] - [ 0.0003271900000000, 0.0008521500000000, 0.0006082100000000 ] - [ 0.0215938700000000, 0.0030849100000000, 0.0204060300000000 ] - [ -0.0000144300000000, -0.0000443700000000, 0.0000626800000000 ] - [ 0.0009089300000000, 0.0015097600000000, 0.0016371900000000 ] - [ 0.0003643200000000, -0.0007863800000000, 0.0004769000000000 ] - [ 0.0214132200000000, -0.0031730800000000, 0.0201141800000000 ] - [ 0.0000060100000000, -0.0000202000000000, 0.0000445400000000 ] - [ -0.0060331200000000, -0.0027102900000000, -0.0011728300000000 ] - [ -0.0002532800000000, 0.0001561500000000, -0.0000191600000000 ] - [ 0.0024678200000000, 0.0001509500000000, 0.0049412400000000 ] - [ 0.0000166000000000, 0.0001551400000000, 0.0000286200000000 ] - [ 0.0020423600000000, 0.0005980800000000, 0.0006268200000000 ] - [ 0.0000237400000000, -0.0000197400000000, -0.0000857200000000 ] - [ 0.0021004000000000, -0.0001216800000000, 0.0006194100000000 ] - [ 0.0020217600000000, -0.0001113700000000, 0.0002898700000000 ] - [ 0.0122003500000000, -0.0002043600000000, 0.0003954500000000 ] - [ 0.0001869900000000, -0.0001674600000000, 0.0000404800000000 ] - [ -0.0075138800000000, 0.0001154800000000, 0.0013595300000000 ] - [ -0.0021189100000000, 0.0001102300000000, -0.0014113900000000 ] - [ -0.3050336300000000, 0.0041656500000000, -0.0574822100000000 ] - [ -0.0001565900000000, -0.0001268300000000, 0.0000278900000000 ] - [ 0.0022265800000000, -0.0005907900000000, 0.0006211800000000 ] - [ 0.0002095200000000, 0.0000283300000000, -0.0000736100000000 ] - [ -0.0056598600000000, 0.0027597400000000, -0.0010906700000000 ] - [ 0.0001154700000000, -0.0001127700000000, 0.0000475700000000 ] - [ -0.0000266400000000, -0.0000254100000000, -0.0001149200000000 ] - [ -0.0012517100000000, -0.0000253800000000, -0.0008637800000000 ] - [ -0.0136930700000000, 0.0054250000000000, -0.0021671200000000 ] - [ -0.0004401600000000, 0.0000360400000000, 0.0001205200000000 ] - [ 0.0087806800000000, -0.0016226500000000, -0.0005015900000000 ] - [ 0.0002302700000000, 0.0000198500000000, 0.0004055100000000 ] - [ 0.0066378500000000, -0.0313429000000000, -0.0170399100000000 ] - [ -0.0003361000000000, 0.0004452500000000, -0.0001696300000000 ] - [ 0.0050388300000000, -0.0067388000000000, -0.0026285200000000 ] - [ 0.0000779700000000, 0.0006577000000000, -0.0003179400000000 ] - [ 0.0052572400000000, 0.0068491300000000, -0.0024910800000000 ] - [ 0.0002697600000000, -0.0006257300000000, -0.0001323400000000 ] - [ 0.0070528600000000, 0.0315346600000000, -0.0172121100000000 ] - [ 0.0001178800000000, -0.0001770500000000, -0.0003019800000000 ] - [ 0.0087119700000000, 0.0015949800000000, -0.0012522900000000 ] - [ 0.0001743000000000, -0.0000106300000000, -0.0003359400000000 ] - [ -0.0138861600000000, -0.0055463300000000, -0.0025507400000000 ] - [ -0.0004983200000000, -0.0000319400000000, -0.0003010800000000 ] - [ 0.0004693800000000, 0.0000472900000000, 0.0005077000000000 ] - [ 0.0001772000000000, 0.0000486000000000, 0.0005004600000000 ] - [ 0.0022830900000000, -0.0018508200000000, -0.0022640500000000 ] - [ -0.0000490500000000, 0.0000345200000000, -0.0000002800000000 ] - [ 0.0078390700000000, -0.0049211700000000, 0.0083035200000000 ] - [ 0.0002840300000000, -0.0000217300000000, 0.0000744700000000 ] - [ -0.0000484200000000, 0.0012929500000000, -0.0059703600000000 ] - [ 0.0000075400000000, 0.0000097700000000, -0.0000931400000000 ] - [ 0.0007691500000000, 0.0003689600000000, -0.0003825500000000 ] - [ 0.0000139700000000, -0.0001147500000000, -0.0002777600000000 ] - [ -0.0001874200000000, -0.0000113200000000, -0.0001864000000000 ] - [ -0.0005643800000000, -0.0000714200000000, -0.0003611600000000 ] - [ -0.0017129100000000, -0.0006938400000000, -0.0023675400000000 ] - [ -0.0000957800000000, -0.0000220400000000, -0.0000113600000000 ] - [ 0.0011461700000000, 0.0004506700000000, -0.0005095300000000 ] - [ 0.0018084200000000, -0.0033193300000000, 0.0006185600000000 ] - [ 0.0318430800000000, 0.0149751200000000, 0.0235331600000000 ] - [ 0.0000820100000000, 0.0001050800000000, 0.0001079000000000 ] - [ -0.0006754000000000, -0.0001362400000000, 0.0011681900000000 ] - [ 0.0000360700000000, -0.0000315300000000, -0.0001426300000000 ] - [ -0.0001515300000000, -0.0000858700000000, -0.0001496900000000 ] - [ -0.0016913000000000, 0.0006651200000000, 0.0011881800000000 ] - [ 0.0025816300000000, 0.0105027600000000, -0.0011291600000000 ] - [ 0.0002052000000000, -0.0006689800000000, 0.0003416100000000 ] - [ 0.1045753900000000, -0.0587477000000000, -0.0025465300000000 ] - [ 0.0000769800000000, -0.0000187600000000, 0.0000008100000000 ] - [ -0.0026227000000000, -0.0002777600000000, -0.0005211000000000 ] - [ -0.0003805200000000, -0.0002311700000000, -0.0001481300000000 ] - [ -0.0058519000000000, 0.0016959500000000, -0.0014016700000000 ] - [ -0.0000971400000000, 0.0001050800000000, -0.0000945100000000 ] - [ -0.0006308600000000, 0.0005808600000000, -0.0000264100000000 ] - [ -0.0012180700000000, -0.0020404000000000, -0.0005389200000000 ] - [ -0.0077866200000000, -0.0031665200000000, 0.0007703900000000 ] - [ -0.0001231700000000, 0.0001513400000000, -0.0000832200000000 ] - [ -0.0103534800000000, -0.0037643800000000, 0.0043889000000000 ] - [ -0.0004227800000000, 0.0000670200000000, -0.0000007700000000 ] - [ 0.0002680300000000, 0.0002126500000000, 0.0000273100000000 ] - [ 0.0048109200000000, -0.0036823300000000, 0.0044738400000000 ] - [ 0.0002208400000000, -0.0002480100000000, 0.0002368700000000 ] - [ 0.0047093500000000, 0.0035993700000000, 0.0046445200000000 ] - [ -0.0097104300000000, 0.0037401900000000, 0.0044678100000000 ] - [ 0.0001843100000000, -0.0000926000000000, 0.0001043000000000 ] - [ -0.0007113700000000, -0.0005614200000000, 0.0000266700000000 ] - [ -0.0012963200000000, 0.0020390700000000, -0.0004793000000000 ] - [ -0.0076474600000000, 0.0030726900000000, 0.0008496000000000 ] - [ -0.0000348500000000, -0.0002203000000000, 0.0000017600000000 ] - [ -0.0025993600000000, 0.0002115200000000, -0.0005657600000000 ] - [ -0.0003595700000000, 0.0001538300000000, -0.0001896300000000 ] - [ -0.0057827400000000, -0.0014651800000000, -0.0012515800000000 ] - [ -0.0000363000000000, 0.0000911100000000, 0.0000375900000000 ] - [ 0.0025431900000000, -0.0108870100000000, -0.0011910900000000 ] - [ 0.0001545000000000, 0.0002979600000000, 0.0002811800000000 ] - [ 0.0998232000000000, 0.0546429200000000, -0.0022317000000000 ] - [ 0.0000307400000000, 0.0001484600000000, 0.0000058600000000 ] - [ -0.0001318500000000, 0.0001136000000000, 0.0004682500000000 ] - [ -0.0016762500000000, -0.0006466200000000, 0.0018359700000000 ] - [ -0.0007928200000000, 0.0000449800000000, 0.0013923300000000 ] - [ -0.0000877900000000, -0.0000650600000000, 0.0000755300000000 ] - [ 0.0320657600000000, -0.0146424300000000, 0.0230189900000000 ] - [ 0.0001286700000000, 0.0000829700000000, -0.0001444100000000 ] - [ 0.0012302900000000, -0.0006289300000000, -0.0007162700000000 ] - [ 0.0019038500000000, 0.0031804600000000, 0.0004209800000000 ] - [ 0.0000109700000000, 0.0000277000000000, -0.0001712800000000 ] - [ -0.0003705900000000, 0.0000867100000000, -0.0003409400000000 ] - [ -0.0015803300000000, 0.0006513300000000, -0.0023481900000000 ] - [ 0.0000445400000000, -0.0000237900000000, -0.0000060200000000 ] - [ 0.0005254800000000, -0.0004242200000000, -0.0003352600000000 ] - [ -0.0002279800000000, 0.0000626600000000, -0.0002281600000000 ] - [ -0.0000861200000000, -0.0012073600000000, -0.0058036200000000 ] - [ -0.0000137300000000, 0.0000741000000000, 0.0000665200000000 ] - [ 0.0075938700000000, 0.0049109600000000, 0.0084000000000000 ] - [ 0.0000152900000000, 0.0000083800000000, 0.0001571200000000 ] - [ 0.0025879900000000, 0.0019370500000000, -0.0022485800000000 ] - [ 0.0002215400000000, 0.0000315400000000, 0.0000454100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013207100000000, 0.0026609700000000, -0.0014339000000000 ] - [ 0.0019233700000000, 0.0027746400000000, 0.0005880300000000 ] - [ 0.0023899100000000, -0.0190600500000000, -0.0052417200000000 ] - [ -0.0000361000000000, 0.0026509500000000, 0.0000227200000000 ] - [ 0.0013207100000000, 0.0026609700000000, 0.0014339000000000 ] - [ -0.0019233700000000, 0.0027746400000000, -0.0005880300000000 ] - [ -0.0023899100000000, -0.0190600500000000, 0.0052417200000000 ] - [ 0.0000361000000000, 0.0026509500000000, -0.0000227200000000 ] - [ -0.0062299800000000, -0.0028713200000000, -0.0065774000000000 ] - [ -0.0000313900000000, 0.0035289000000000, 0.0002382200000000 ] - [ 0.0000000000000000, -0.0097338200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036596000000000, 0.0000000000000000 ] - [ -0.0026436600000000, -0.0020673100000000, -0.0025628800000000 ] - [ 0.0001737100000000, 0.0029750200000000, 0.0001142900000000 ] - [ 0.0000000000000000, 0.0026740400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029014000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0116222000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039229100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076453800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079163600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.2653592900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0043568900000000, 0.0000000000000000 ] - [ 0.0026436600000000, -0.0020673100000000, 0.0025628800000000 ] - [ -0.0001737100000000, 0.0029750200000000, -0.0001142900000000 ] - [ 0.0062299800000000, -0.0028713200000000, 0.0065774000000000 ] - [ 0.0000313900000000, 0.0035289000000000, -0.0002382200000000 ] - [ 0.0000000000000000, 0.0003111800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004570400000000, 0.0000000000000000 ] - [ -0.0037553900000000, 0.0222584200000000, 0.0206106400000000 ] - [ 0.0001724700000000, 0.0047393700000000, -0.0001807300000000 ] - [ 0.0050887400000000, -0.0029028900000000, -0.0008682200000000 ] - [ -0.0002803200000000, 0.0037890200000000, 0.0002720400000000 ] - [ -0.0180577400000000, 0.0232422300000000, 0.0108917600000000 ] - [ 0.0002007000000000, 0.0050591900000000, -0.0002385300000000 ] - [ -0.0126133500000000, -0.0042458700000000, -0.0034891000000000 ] - [ 0.0002823800000000, 0.0041696800000000, -0.0001112400000000 ] - [ 0.0126133500000000, -0.0042458700000000, 0.0034891000000000 ] - [ -0.0002823800000000, 0.0041696800000000, 0.0001112400000000 ] - [ 0.0180577400000000, 0.0232422300000000, -0.0108917600000000 ] - [ -0.0002007000000000, 0.0050591900000000, 0.0002385300000000 ] - [ -0.0050887400000000, -0.0029028900000000, 0.0008682200000000 ] - [ 0.0002803200000000, 0.0037890200000000, -0.0002720400000000 ] - [ 0.0037553900000000, 0.0222584200000000, -0.0206106400000000 ] - [ -0.0001724700000000, 0.0047393700000000, 0.0001807300000000 ] - [ 0.0000000000000000, 0.0028089200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024180900000000, 0.0000000000000000 ] - [ 0.0009277600000000, -0.0015523600000000, -0.0065111600000000 ] - [ -0.0000989200000000, -0.0011521800000000, 0.0002611900000000 ] - [ 0.0012624200000000, -0.0044341300000000, 0.0082456800000000 ] - [ 0.0001311600000000, -0.0018403000000000, -0.0002476100000000 ] - [ 0.0019547000000000, 0.0080526500000000, 0.0023101900000000 ] - [ -0.0006513000000000, -0.0025026200000000, -0.0001496400000000 ] - [ 0.0014165200000000, -0.0008375700000000, 0.0011363300000000 ] - [ 0.0003947700000000, -0.0022472400000000, -0.0003754800000000 ] - [ 0.0005827000000000, -0.0020008100000000, -0.0000832100000000 ] - [ 0.0002359000000000, -0.0005350000000000, -0.0000627200000000 ] - [ 0.0002524700000000, 0.0048628100000000, -0.0005105800000000 ] - [ -0.0007724300000000, -0.0024297800000000, 0.0000469600000000 ] - [ -0.0003618400000000, -0.0037152800000000, 0.0015453900000000 ] - [ -0.0013849700000000, -0.0061921000000000, -0.0004155900000000 ] - [ 0.0164447900000000, 0.0545552900000000, 0.0469035700000000 ] - [ 0.0004695400000000, -0.0028921100000000, -0.0006185200000000 ] - [ -0.0013562000000000, 0.0012858400000000, -0.0004474500000000 ] - [ 0.0001067100000000, -0.0014786200000000, 0.0000130000000000 ] - [ -0.0001771100000000, -0.0012512100000000, -0.0002593900000000 ] - [ 0.0027296200000000, 0.0012849900000000, 0.0002762400000000 ] - [ 0.0011505200000000, -0.0064518100000000, 0.0010986100000000 ] - [ -0.0010394600000000, -0.0039483200000000, 0.0009902100000000 ] - [ -0.0576925900000000, 0.0637247700000000, 0.0058681000000000 ] - [ 0.0004094400000000, -0.0030627100000000, -0.0007819300000000 ] - [ -0.0005315700000000, -0.0006138000000000, 0.0001944300000000 ] - [ -0.0004990800000000, -0.0023070100000000, -0.0005973900000000 ] - [ 0.0000876300000000, 0.0050221100000000, -0.0003118200000000 ] - [ 0.0004619600000000, -0.0025715800000000, 0.0006311300000000 ] - [ 0.0002321900000000, -0.0025635300000000, -0.0006068500000000 ] - [ -0.0021248800000000, -0.0008664500000000, -0.0010057000000000 ] - [ -0.0027416800000000, 0.0086632500000000, -0.0016539900000000 ] - [ 0.0004072000000000, -0.0028687700000000, 0.0006940400000000 ] - [ -0.0080977100000000, -0.0018113000000000, 0.0028171800000000 ] - [ 0.0000891500000000, -0.0015071000000000, -0.0001731900000000 ] - [ 0.0002669400000000, -0.0016656300000000, -0.0001399500000000 ] - [ -0.0101788400000000, -0.0045745500000000, 0.0020132400000000 ] - [ -0.0002669400000000, -0.0016656300000000, 0.0001399500000000 ] - [ 0.0101788400000000, -0.0045745500000000, -0.0020132400000000 ] - [ 0.0080977100000000, -0.0018113000000000, -0.0028171800000000 ] - [ -0.0000891500000000, -0.0015071000000000, 0.0001731900000000 ] - [ -0.0002321900000000, -0.0025635300000000, 0.0006068500000000 ] - [ 0.0021248800000000, -0.0008664500000000, 0.0010057000000000 ] - [ 0.0027416800000000, 0.0086632500000000, 0.0016539900000000 ] - [ -0.0004072000000000, -0.0028687700000000, -0.0006940400000000 ] - [ 0.0005315700000000, -0.0006138000000000, -0.0001944300000000 ] - [ 0.0004990800000000, -0.0023070100000000, 0.0005973900000000 ] - [ -0.0000876300000000, 0.0050221100000000, 0.0003118200000000 ] - [ -0.0004619600000000, -0.0025715800000000, -0.0006311300000000 ] - [ -0.0011505200000000, -0.0064518100000000, -0.0010986100000000 ] - [ 0.0010394600000000, -0.0039483200000000, -0.0009902100000000 ] - [ 0.0576925900000000, 0.0637247700000000, -0.0058681000000000 ] - [ -0.0004094400000000, -0.0030627100000000, 0.0007819300000000 ] - [ 0.0001771100000000, -0.0012512100000000, 0.0002593900000000 ] - [ -0.0027296200000000, 0.0012849900000000, -0.0002762400000000 ] - [ 0.0013562000000000, 0.0012858400000000, 0.0004474500000000 ] - [ -0.0001067100000000, -0.0014786200000000, -0.0000130000000000 ] - [ -0.0164447900000000, 0.0545552900000000, -0.0469035700000000 ] - [ -0.0004695400000000, -0.0028921100000000, 0.0006185200000000 ] - [ 0.0003618400000000, -0.0037152800000000, -0.0015453900000000 ] - [ 0.0013849700000000, -0.0061921000000000, 0.0004155900000000 ] - [ -0.0005827000000000, -0.0020008100000000, 0.0000832100000000 ] - [ -0.0002359000000000, -0.0005350000000000, 0.0000627200000000 ] - [ -0.0002524700000000, 0.0048628100000000, 0.0005105800000000 ] - [ 0.0007724300000000, -0.0024297800000000, -0.0000469600000000 ] - [ -0.0014165200000000, -0.0008375700000000, -0.0011363300000000 ] - [ -0.0003947700000000, -0.0022472400000000, 0.0003754800000000 ] - [ -0.0019547000000000, 0.0080526500000000, -0.0023101900000000 ] - [ 0.0006513000000000, -0.0025026200000000, 0.0001496400000000 ] - [ -0.0012624200000000, -0.0044341300000000, -0.0082456800000000 ] - [ -0.0001311600000000, -0.0018403000000000, 0.0002476100000000 ] - [ -0.0009277600000000, -0.0015523600000000, 0.0065111600000000 ] - [ 0.0000989200000000, -0.0011521800000000, -0.0002611900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012998000000000, -0.0026139000000000, 0.0015587400000000 ] - [ -0.0019479800000000, -0.0027306500000000, -0.0004601900000000 ] - [ -0.0025098800000000, 0.0190192300000000, 0.0052099000000000 ] - [ 0.0000156400000000, -0.0026953800000000, 0.0000042900000000 ] - [ -0.0012998000000000, -0.0026139000000000, -0.0015587400000000 ] - [ 0.0019479800000000, -0.0027306500000000, 0.0004601900000000 ] - [ 0.0025098800000000, 0.0190192300000000, -0.0052099000000000 ] - [ -0.0000156400000000, -0.0026953800000000, -0.0000042900000000 ] - [ 0.0059021100000000, 0.0029256400000000, 0.0065316200000000 ] - [ -0.0003287300000000, -0.0034987700000000, -0.0003205700000000 ] - [ 0.0000000000000000, 0.0100914800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0033184600000000, 0.0000000000000000 ] - [ 0.0024631100000000, 0.0020711900000000, 0.0025580000000000 ] - [ -0.0003491100000000, -0.0029552200000000, -0.0001343900000000 ] - [ 0.0000000000000000, -0.0029496600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0031898900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0113116400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0042180900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074884900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077129000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.2655688400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0045728900000000, 0.0000000000000000 ] - [ -0.0024631100000000, 0.0020711900000000, -0.0025580000000000 ] - [ 0.0003491100000000, -0.0029552200000000, 0.0001343900000000 ] - [ -0.0059021100000000, 0.0029256400000000, -0.0065316200000000 ] - [ 0.0003287300000000, -0.0034987700000000, 0.0003205700000000 ] - [ 0.0000000000000000, -0.0003626500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004044000000000, 0.0000000000000000 ] - [ 0.0039140200000000, -0.0222497000000000, -0.0199550500000000 ] - [ -0.0001273000000000, -0.0047256400000000, 0.0005838900000000 ] - [ -0.0050435700000000, 0.0029021000000000, 0.0015451100000000 ] - [ 0.0003152700000000, -0.0038055200000000, 0.0004189800000000 ] - [ 0.0178532100000000, -0.0229912600000000, -0.0107234000000000 ] - [ -0.0006568300000000, -0.0048065400000000, 0.0004148700000000 ] - [ 0.0123456000000000, 0.0042610600000000, 0.0032798300000000 ] - [ -0.0004682500000000, -0.0041243300000000, -0.0000822400000000 ] - [ -0.0123456000000000, 0.0042610600000000, -0.0032798300000000 ] - [ 0.0004682500000000, -0.0041243300000000, 0.0000822400000000 ] - [ -0.0178532100000000, -0.0229912600000000, 0.0107234000000000 ] - [ 0.0006568300000000, -0.0048065400000000, -0.0004148700000000 ] - [ 0.0050435700000000, 0.0029021000000000, -0.0015451100000000 ] - [ -0.0003152700000000, -0.0038055200000000, -0.0004189800000000 ] - [ -0.0039140200000000, -0.0222497000000000, 0.0199550500000000 ] - [ 0.0001273000000000, -0.0047256400000000, -0.0005838900000000 ] - [ 0.0000000000000000, -0.0027645100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0023881100000000, 0.0000000000000000 ] - [ -0.0012530000000000, 0.0016516300000000, 0.0065171700000000 ] - [ -0.0001855400000000, 0.0012253100000000, -0.0002742300000000 ] - [ -0.0009505500000000, 0.0044446300000000, -0.0083353000000000 ] - [ 0.0001475500000000, 0.0018345400000000, 0.0001988200000000 ] - [ -0.0019418300000000, -0.0080041400000000, -0.0024747600000000 ] - [ 0.0006719900000000, 0.0025722400000000, -0.0000151000000000 ] - [ -0.0011661400000000, 0.0007815000000000, -0.0011818600000000 ] - [ -0.0001417800000000, 0.0021971100000000, 0.0003315700000000 ] - [ -0.0007925200000000, 0.0020143800000000, 0.0000630800000000 ] - [ -0.0004474100000000, 0.0005587100000000, 0.0000402000000000 ] - [ -0.0003875000000000, -0.0049096400000000, 0.0005031500000000 ] - [ 0.0006250100000000, 0.0023799100000000, -0.0000541900000000 ] - [ 0.0002877100000000, 0.0035480900000000, -0.0013540800000000 ] - [ 0.0012971000000000, 0.0060338500000000, 0.0005819100000000 ] - [ -0.0156355800000000, -0.0532981200000000, -0.0445416300000000 ] - [ -0.0005173300000000, 0.0030890500000000, 0.0008540400000000 ] - [ 0.0014921900000000, -0.0013810600000000, 0.0002715800000000 ] - [ 0.0000292900000000, 0.0013908000000000, -0.0002061100000000 ] - [ 0.0001463800000000, 0.0012789100000000, -0.0003743800000000 ] - [ -0.0027422000000000, -0.0012494700000000, -0.0009247900000000 ] - [ -0.0011250200000000, 0.0060795600000000, -0.0010391200000000 ] - [ 0.0010875500000000, 0.0035786200000000, -0.0009286900000000 ] - [ 0.0604189200000000, -0.0648492600000000, -0.0060313000000000 ] - [ -0.0003694000000000, 0.0031849100000000, 0.0007720500000000 ] - [ 0.0004990100000000, 0.0005394600000000, -0.0001457200000000 ] - [ 0.0004716200000000, 0.0022426800000000, 0.0006465700000000 ] - [ -0.0001279500000000, -0.0048420800000000, 0.0001807100000000 ] - [ -0.0005110700000000, 0.0027565600000000, -0.0007705300000000 ] - [ -0.0001588700000000, 0.0025885300000000, 0.0005622800000000 ] - [ 0.0021915800000000, 0.0008954000000000, 0.0009570400000000 ] - [ 0.0026559600000000, -0.0087056100000000, 0.0015574500000000 ] - [ -0.0004867900000000, 0.0028033400000000, -0.0007803500000000 ] - [ 0.0074663800000000, 0.0017523000000000, -0.0029011700000000 ] - [ -0.0006999500000000, 0.0014826800000000, 0.0000550300000000 ] - [ -0.0002262400000000, 0.0016349800000000, -0.0000582100000000 ] - [ 0.0101642900000000, 0.0045120200000000, -0.0021532200000000 ] - [ 0.0002262400000000, 0.0016349800000000, 0.0000582100000000 ] - [ -0.0101642900000000, 0.0045120200000000, 0.0021532200000000 ] - [ -0.0074663800000000, 0.0017523000000000, 0.0029011700000000 ] - [ 0.0006999500000000, 0.0014826800000000, -0.0000550300000000 ] - [ 0.0001588700000000, 0.0025885300000000, -0.0005622800000000 ] - [ -0.0021915800000000, 0.0008954000000000, -0.0009570400000000 ] - [ -0.0026559600000000, -0.0087056100000000, -0.0015574500000000 ] - [ 0.0004867900000000, 0.0028033400000000, 0.0007803500000000 ] - [ -0.0004990100000000, 0.0005394600000000, 0.0001457200000000 ] - [ -0.0004716200000000, 0.0022426800000000, -0.0006465700000000 ] - [ 0.0001279500000000, -0.0048420800000000, -0.0001807100000000 ] - [ 0.0005110700000000, 0.0027565600000000, 0.0007705300000000 ] - [ 0.0011250200000000, 0.0060795600000000, 0.0010391200000000 ] - [ -0.0010875500000000, 0.0035786200000000, 0.0009286900000000 ] - [ -0.0604189200000000, -0.0648492600000000, 0.0060313000000000 ] - [ 0.0003694000000000, 0.0031849100000000, -0.0007720500000000 ] - [ -0.0001463800000000, 0.0012789100000000, 0.0003743800000000 ] - [ 0.0027422000000000, -0.0012494700000000, 0.0009247900000000 ] - [ -0.0014921900000000, -0.0013810600000000, -0.0002715800000000 ] - [ -0.0000292900000000, 0.0013908000000000, 0.0002061100000000 ] - [ 0.0156355800000000, -0.0532981200000000, 0.0445416300000000 ] - [ 0.0005173300000000, 0.0030890500000000, -0.0008540400000000 ] - [ -0.0002877100000000, 0.0035480900000000, 0.0013540800000000 ] - [ -0.0012971000000000, 0.0060338500000000, -0.0005819100000000 ] - [ 0.0007925200000000, 0.0020143800000000, -0.0000630800000000 ] - [ 0.0004474100000000, 0.0005587100000000, -0.0000402000000000 ] - [ 0.0003875000000000, -0.0049096400000000, -0.0005031500000000 ] - [ -0.0006250100000000, 0.0023799100000000, 0.0000541900000000 ] - [ 0.0011661400000000, 0.0007815000000000, 0.0011818600000000 ] - [ 0.0001417800000000, 0.0021971100000000, -0.0003315700000000 ] - [ 0.0019418300000000, -0.0080041400000000, 0.0024747600000000 ] - [ -0.0006719900000000, 0.0025722400000000, 0.0000151000000000 ] - [ 0.0009505500000000, 0.0044446300000000, 0.0083353000000000 ] - [ -0.0001475500000000, 0.0018345400000000, -0.0001988200000000 ] - [ 0.0012530000000000, 0.0016516300000000, -0.0065171700000000 ] - [ 0.0001855400000000, 0.0012253100000000, 0.0002742300000000 ]- atom: 21 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0002790100000000, 0.0006911200000000, -0.0013594000000000 ] - [ 0.0015494300000000, 0.0008078900000000, -0.0005045700000000 ] - [ 0.0072535700000000, -0.0063293100000000, -0.0094762800000000 ] - [ 0.0000253400000000, -0.0000035700000000, -0.0000490500000000 ] - [ -0.0002476300000000, -0.0006390300000000, -0.0014739200000000 ] - [ 0.0015877400000000, -0.0007621500000000, -0.0006302600000000 ] - [ 0.0073742700000000, 0.0062861000000000, -0.0094266700000000 ] - [ 0.0000462400000000, -0.0000402700000000, -0.0000738300000000 ] - [ 0.0047799100000000, -0.0029205200000000, 0.0052223100000000 ] - [ -0.0001153200000000, 0.0003704800000000, 0.0001541000000000 ] - [ 0.0034503500000000, 0.0001887600000000, 0.0053824900000000 ] - [ 0.0000771900000000, 0.0001752200000000, 0.0000758700000000 ] - [ 0.0009798800000000, 0.0001487700000000, 0.0041238600000000 ] - [ -0.0001235800000000, 0.0000551800000000, 0.0001309100000000 ] - [ -0.0014173400000000, -0.0001473300000000, -0.0004516200000000 ] - [ -0.0014082900000000, -0.0001446900000000, -0.0002133700000000 ] - [ -0.0064104500000000, -0.0001550600000000, -0.0008861400000000 ] - [ -0.0001372800000000, -0.0001432600000000, -0.0000329400000000 ] - [ 0.0049599900000000, 0.0000898000000000, -0.0022480700000000 ] - [ -0.0001549800000000, 0.0000851800000000, -0.0062400700000000 ] - [ 0.1008915700000000, -0.0004072900000000, -0.1579484800000000 ] - [ 0.0001014200000000, -0.0001052600000000, -0.0001526700000000 ] - [ 0.0011640600000000, -0.0001294800000000, 0.0041382800000000 ] - [ 0.0000476200000000, -0.0000361100000000, 0.0001486900000000 ] - [ 0.0050999400000000, 0.0029293300000000, 0.0052842400000000 ] - [ 0.0002398900000000, -0.0003448300000000, 0.0002403300000000 ] - [ -0.0000363400000000, -0.0000260500000000, 0.0001128300000000 ] - [ -0.0019322500000000, -0.0000245500000000, 0.0023390800000000 ] - [ -0.0033288300000000, 0.0254449300000000, 0.0138295400000000 ] - [ 0.0002404200000000, -0.0002659200000000, 0.0002556100000000 ] - [ -0.0054060600000000, 0.0003274200000000, 0.0024091600000000 ] - [ -0.0001298500000000, 0.0000422800000000, 0.0004804700000000 ] - [ -0.0115210800000000, 0.0225806100000000, 0.0052067800000000 ] - [ -0.0003883900000000, -0.0000901100000000, -0.0001684600000000 ] - [ -0.0096902500000000, 0.0031709100000000, -0.0023254100000000 ] - [ -0.0002815200000000, -0.0004084400000000, 0.0000158000000000 ] - [ -0.0094518300000000, -0.0031113100000000, -0.0021111300000000 ] - [ -0.0000988800000000, 0.0004564800000000, 0.0002129400000000 ] - [ -0.0111136300000000, -0.0223608400000000, 0.0048343300000000 ] - [ 0.0000734800000000, 0.0003372000000000, -0.0003572800000000 ] - [ -0.0054362100000000, -0.0003458100000000, 0.0017454600000000 ] - [ -0.0001613500000000, -0.0000588300000000, -0.0002038800000000 ] - [ -0.0035656600000000, -0.0253605500000000, 0.0134231400000000 ] - [ 0.0001952600000000, 0.0002862900000000, -0.0001460100000000 ] - [ 0.0009653800000000, 0.0000141700000000, 0.0011480900000000 ] - [ 0.0008048500000000, 0.0000175600000000, 0.0011222800000000 ] - [ 0.0007084600000000, -0.0019884700000000, -0.0059524300000000 ] - [ -0.0001894100000000, 0.0000990200000000, -0.0000830200000000 ] - [ -0.0015883500000000, 0.0069064200000000, -0.0041631600000000 ] - [ 0.0002244600000000, -0.0002446700000000, 0.0000719800000000 ] - [ -0.0041103900000000, 0.0017574900000000, -0.0025286700000000 ] - [ -0.0000522900000000, -0.0000490400000000, -0.0001016700000000 ] - [ -0.0012638200000000, 0.0011075500000000, -0.0004771700000000 ] - [ -0.0002506600000000, -0.0003014400000000, -0.0005472400000000 ] - [ -0.0003612400000000, 0.0001233100000000, -0.0001280900000000 ] - [ -0.0007492100000000, -0.0000241800000000, -0.0008819200000000 ] - [ -0.0024290100000000, -0.0002789900000000, -0.0021237800000000 ] - [ -0.0000942500000000, -0.0000308700000000, -0.0000177900000000 ] - [ -0.0008276600000000, -0.0002126800000000, 0.0006520100000000 ] - [ -0.0010394000000000, -0.0080013400000000, 0.0027014300000000 ] - [ 0.0061862600000000, 0.0304401100000000, 0.0555578800000000 ] - [ -0.0000979800000000, 0.0001586000000000, 0.0001738300000000 ] - [ 0.0006269100000000, -0.0003123800000000, -0.0029633300000000 ] - [ 0.0000872200000000, -0.0000015700000000, -0.0002614600000000 ] - [ 0.0001023400000000, 0.0000829700000000, -0.0004444200000000 ] - [ 0.0025116800000000, -0.0004063400000000, -0.0026591400000000 ] - [ -0.0014457700000000, -0.0069745100000000, 0.0023231600000000 ] - [ -0.0001625300000000, -0.0003906400000000, 0.0010951900000000 ] - [ -0.0533113600000000, 0.0326397300000000, 0.0194078700000000 ] - [ 0.0000006700000000, 0.0001156300000000, 0.0000961000000000 ] - [ 0.0015169000000000, 0.0001459000000000, 0.0001558400000000 ] - [ 0.0001584400000000, 0.0000940700000000, 0.0001655300000000 ] - [ 0.0028310000000000, -0.0004561700000000, 0.0008946700000000 ] - [ 0.0000143400000000, 0.0000873300000000, -0.0000716600000000 ] - [ 0.0004733300000000, -0.0003641900000000, 0.0000093800000000 ] - [ 0.0016117200000000, 0.0016664800000000, 0.0015319800000000 ] - [ 0.0036313500000000, 0.0010850400000000, 0.0019329700000000 ] - [ 0.0000261100000000, -0.0001624400000000, -0.0000056200000000 ] - [ 0.0059449300000000, 0.0015844400000000, -0.0019973200000000 ] - [ -0.0002091700000000, -0.0000610800000000, -0.0000475300000000 ] - [ -0.0000632900000000, -0.0002072200000000, -0.0001387000000000 ] - [ 0.0072888200000000, 0.0070700200000000, 0.0006469200000000 ] - [ -0.0001039700000000, 0.0001756200000000, 0.0000622800000000 ] - [ 0.0072409300000000, -0.0071654000000000, 0.0008462000000000 ] - [ 0.0065760200000000, -0.0016199900000000, -0.0019090300000000 ] - [ 0.0004065700000000, 0.0000344000000000, 0.0000755100000000 ] - [ 0.0003915500000000, 0.0003904400000000, 0.0000564400000000 ] - [ 0.0015360200000000, -0.0016444700000000, 0.0015882800000000 ] - [ 0.0037138300000000, -0.0011421200000000, 0.0020420200000000 ] - [ 0.0001022300000000, 0.0000949500000000, 0.0000814300000000 ] - [ 0.0015378700000000, -0.0002107300000000, 0.0001045600000000 ] - [ 0.0001811700000000, -0.0001614700000000, 0.0001180500000000 ] - [ 0.0028652100000000, 0.0006427600000000, 0.0010274800000000 ] - [ 0.0000614200000000, 0.0000970400000000, 0.0000675900000000 ] - [ -0.0014801800000000, 0.0065697700000000, 0.0022778600000000 ] - [ -0.0002138700000000, 0.0000266100000000, 0.0010396500000000 ] - [ -0.0543640300000000, -0.0334635900000000, 0.0189842800000000 ] - [ -0.0000371500000000, 0.0000071600000000, 0.0001101500000000 ] - [ 0.0001308600000000, -0.0000537900000000, 0.0001824700000000 ] - [ 0.0025294600000000, 0.0004316700000000, -0.0020181700000000 ] - [ 0.0005103900000000, 0.0002220500000000, -0.0027662100000000 ] - [ -0.0000286200000000, -0.0000918500000000, -0.0000467100000000 ] - [ 0.0053460000000000, -0.0290147500000000, 0.0541735100000000 ] - [ -0.0000474000000000, 0.0000389900000000, -0.0000594600000000 ] - [ -0.0007483500000000, 0.0000360700000000, 0.0004561300000000 ] - [ -0.0009429400000000, 0.0078659600000000, 0.0025206200000000 ] - [ -0.0001484100000000, -0.0001049200000000, -0.0001139400000000 ] - [ -0.0005425300000000, 0.0000400600000000, -0.0008664300000000 ] - [ -0.0022883300000000, 0.0002286200000000, -0.0021372700000000 ] - [ 0.0000587900000000, -0.0000144700000000, -0.0000230600000000 ] - [ -0.0015130500000000, -0.0011617700000000, -0.0004384300000000 ] - [ -0.0005061300000000, 0.0002442000000000, -0.0005097500000000 ] - [ -0.0041091900000000, -0.0016837300000000, -0.0023821200000000 ] - [ -0.0000782700000000, 0.0001307300000000, 0.0000500400000000 ] - [ -0.0018820300000000, -0.0068580500000000, -0.0041095600000000 ] - [ -0.0000540000000000, 0.0002351900000000, 0.0001534300000000 ] - [ 0.0010316100000000, 0.0020629200000000, -0.0059526400000000 ] - [ 0.0000976000000000, -0.0000251100000000, -0.0000649000000000 ]- atom: 27 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0012527300000000, 0.0002898700000000, 0.0006859600000000 ] - [ 0.0000453500000000, 0.0000230300000000, 0.0000469500000000 ] - [ 0.0000471300000000, -0.0000324300000000, 0.0000055000000000 ] - [ 0.0012418900000000, -0.0001901400000000, 0.0006959300000000 ] - [ 0.0012809200000000, -0.0002362900000000, 0.0005704900000000 ] - [ 0.0000719900000000, 0.0000307600000000, -0.0000708600000000 ] - [ 0.0000683500000000, -0.0000365500000000, -0.0000209200000000 ] - [ 0.0012642500000000, 0.0001213800000000, 0.0006738500000000 ] - [ -0.0000267700000000, 0.0005232800000000, -0.0001747900000000 ] - [ -0.0000824900000000, -0.0005038200000000, -0.0001518900000000 ] - [ 0.0001264700000000, 0.0001538100000000, 0.0000433400000000 ] - [ 0.0031348600000000, 0.0001528500000000, -0.0009723200000000 ] - [ -0.0000860300000000, 0.0000015500000000, -0.0000051500000000 ] - [ 0.0147664500000000, 0.0000835100000000, 0.0082759800000000 ] - [ 0.0010202000000000, -0.0001243700000000, 0.0017692200000000 ] - [ -0.0000116800000000, -0.0001230300000000, 0.0001179700000000 ] - [ -0.0000147000000000, -0.0001677100000000, 0.0001307500000000 ] - [ 0.0009912900000000, -0.0001664700000000, 0.0015459000000000 ] - [ -0.0012579000000000, 0.0001087500000000, -0.0029545300000000 ] - [ -0.0000228100000000, 0.0001092300000000, -0.0000586600000000 ] - [ -0.0000230100000000, -0.0001266500000000, -0.0000563000000000 ] - [ -0.0012450700000000, -0.0001260100000000, -0.0029252000000000 ] - [ 0.0000964000000000, 0.0000052200000000, 0.0000101600000000 ] - [ 0.0150971600000000, -0.0000801300000000, 0.0083467100000000 ] - [ 0.0003481200000000, -0.0004743200000000, -0.0001077800000000 ] - [ 0.0002924200000000, 0.0005516900000000, -0.0000852600000000 ] - [ -0.0544630000000000, 0.0000911400000000, 0.0071298100000000 ] - [ -0.0000933900000000, -0.0000426800000000, 0.0000151100000000 ] - [ 0.0000203600000000, 0.0000017400000000, 0.0002010900000000 ] - [ 0.0009119800000000, 0.0000070700000000, -0.0198732900000000 ] - [ 0.0000088000000000, -0.0004275500000000, 0.0006846400000000 ] - [ 0.0000139000000000, 0.0003823500000000, 0.0006652300000000 ] - [ -0.0006110500000000, 0.0002425300000000, -0.0002188900000000 ] - [ -0.0005527900000000, 0.0000317600000000, -0.0001655300000000 ] - [ -0.0001076600000000, 0.0000150900000000, -0.0000795000000000 ] - [ -0.0073303000000000, 0.0002768500000000, 0.0081193700000000 ] - [ 0.0000878100000000, 0.0000164200000000, 0.0001033500000000 ] - [ -0.0071425500000000, -0.0002450600000000, 0.0083224000000000 ] - [ -0.0001541700000000, 0.0000170400000000, -0.0003502500000000 ] - [ -0.0000961700000000, 0.0002303700000000, -0.0002967600000000 ] - [ -0.0000448700000000, 0.0004245700000000, -0.0000567600000000 ] - [ -0.0000399400000000, -0.0003854900000000, -0.0000766200000000 ] - [ -0.0000379900000000, 0.0000017800000000, -0.0002226900000000 ] - [ 0.0008027500000000, -0.0000044500000000, -0.0202439500000000 ] - [ 0.0040772400000000, 0.0000434500000000, -0.0015630300000000 ] - [ 0.0001563100000000, 0.0000415300000000, 0.0000723000000000 ] - [ -0.0001234300000000, 0.0000351100000000, -0.0000310000000000 ] - [ 0.0163747000000000, -0.0000094800000000, 0.0010464700000000 ] - [ 0.0003388400000000, -0.0001860900000000, 0.0002083100000000 ] - [ 0.0003092000000000, 0.0001205500000000, 0.0001732800000000 ] - [ -0.0000856600000000, -0.0000596100000000, -0.0000559100000000 ] - [ -0.0008624600000000, 0.0001719500000000, -0.0000214200000000 ] - [ -0.0009113900000000, -0.0000028100000000, 0.0000201700000000 ] - [ 0.0000399600000000, 0.0000792900000000, -0.0000244000000000 ] - [ -0.0037588400000000, 0.0019820800000000, -0.0006022900000000 ] - [ -0.0001408900000000, 0.0000085600000000, -0.0000128600000000 ] - [ -0.0001063800000000, -0.0000199600000000, 0.0000002900000000 ] - [ -0.0037942500000000, -0.0017438000000000, -0.0010707700000000 ] - [ -0.0006980200000000, -0.0024182400000000, 0.0043905800000000 ] - [ -0.0000341500000000, -0.0000769800000000, 0.0001053500000000 ] - [ -0.0000153700000000, 0.0000877500000000, 0.0001301300000000 ] - [ -0.0007330000000000, 0.0024413700000000, 0.0044241100000000 ] - [ -0.0000254200000000, 0.0002218500000000, -0.0002038700000000 ] - [ -0.0000196600000000, -0.0002992000000000, -0.0002147800000000 ] - [ 0.0014092900000000, -0.0001806400000000, -0.0061982400000000 ] - [ -0.0000037700000000, 0.0000145100000000, -0.0003184700000000 ] - [ 0.0000786200000000, -0.0006020700000000, 0.0005669400000000 ] - [ 0.0000651800000000, -0.0001496900000000, 0.0000794300000000 ] - [ 0.0000740500000000, 0.0000225300000000, 0.0000522300000000 ] - [ 0.0001070600000000, 0.0004208400000000, 0.0005131600000000 ] - [ -0.0002211600000000, 0.0001589800000000, -0.0003717400000000 ] - [ -0.0000472300000000, -0.0001644200000000, -0.0000907400000000 ] - [ -0.0000662200000000, 0.0002364000000000, -0.0001907200000000 ] - [ -0.0002129500000000, -0.0000831000000000, -0.0004348300000000 ] - [ 0.0004140800000000, -0.0006732000000000, -0.0020953200000000 ] - [ 0.0000418000000000, 0.0000025900000000, -0.0000471200000000 ] - [ -0.0000386800000000, -0.0000223100000000, -0.0000666500000000 ] - [ 0.0003660600000000, 0.0007386800000000, -0.0020023600000000 ] - [ -0.0001532400000000, 0.0001009800000000, -0.0001431200000000 ] - [ -0.0001702800000000, -0.0001180900000000, -0.0001375400000000 ] - [ 0.0058303000000000, 0.0000256900000000, 0.0022359900000000 ] - [ 0.0000361200000000, -0.0000147000000000, -0.0000934300000000 ] - [ 0.0057852700000000, -0.0000548700000000, 0.0024188200000000 ] - [ -0.0000077700000000, -0.0000146700000000, 0.0001031800000000 ] - [ 0.0004616000000000, -0.0001320900000000, -0.0000063700000000 ] - [ 0.0004443500000000, 0.0000863900000000, -0.0000009800000000 ] - [ 0.0003306500000000, 0.0006988600000000, -0.0020451600000000 ] - [ -0.0000441700000000, 0.0000186500000000, 0.0000055400000000 ] - [ 0.0000402200000000, -0.0000355300000000, 0.0000213400000000 ] - [ 0.0004466800000000, -0.0007996400000000, -0.0019141500000000 ] - [ -0.0001988200000000, -0.0002375400000000, -0.0004056000000000 ] - [ -0.0000243500000000, 0.0000855400000000, -0.0001236000000000 ] - [ -0.0000093800000000, -0.0000410400000000, -0.0000443300000000 ] - [ -0.0001562900000000, 0.0002786800000000, -0.0002886900000000 ] - [ 0.0000396200000000, 0.0002259100000000, 0.0005058000000000 ] - [ 0.0000270000000000, -0.0002277300000000, 0.0000187200000000 ] - [ 0.0000394100000000, 0.0001058200000000, 0.0000605900000000 ] - [ 0.0000718200000000, -0.0002942500000000, 0.0005217100000000 ] - [ 0.0015065400000000, 0.0002153800000000, -0.0054508000000000 ] - [ 0.0000253200000000, 0.0000161000000000, 0.0003026400000000 ] - [ -0.0001183200000000, -0.0003209300000000, 0.0000346400000000 ] - [ -0.0001132400000000, 0.0002004100000000, 0.0000230100000000 ] - [ 0.0000309200000000, 0.0001060100000000, -0.0001107500000000 ] - [ -0.0006855100000000, -0.0022546000000000, 0.0041854400000000 ] - [ -0.0006151800000000, 0.0022523300000000, 0.0042015600000000 ] - [ 0.0000476000000000, -0.0000961800000000, -0.0000858700000000 ] - [ -0.0035569500000000, -0.0019715200000000, -0.0005898900000000 ] - [ 0.0000695900000000, 0.0000052900000000, 0.0000002800000000 ] - [ 0.0000456300000000, -0.0000263700000000, -0.0000061900000000 ] - [ -0.0036513800000000, 0.0017013500000000, -0.0010794100000000 ] - [ -0.0011735200000000, -0.0000711700000000, 0.0000628700000000 ] - [ -0.0002205500000000, -0.0001503800000000, 0.0000191700000000 ] - [ -0.0001130800000000, 0.0001475700000000, 0.0000931500000000 ] - [ -0.0008906000000000, -0.0000823200000000, 0.0001264300000000 ] - [ 0.0000614600000000, 0.0001718000000000, 0.0003135500000000 ] - [ 0.0000314900000000, -0.0001357100000000, 0.0002772700000000 ] - [ 0.0001387800000000, 0.0000356600000000, 0.0000346700000000 ] - [ 0.0148915300000000, 0.0000640600000000, 0.0018014500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001292000000000, -0.0002767600000000, 0.0000842800000000 ] - [ -0.0000044900000000, 0.0002019600000000, 0.0000647600000000 ] - [ -0.0000179800000000, 0.0001432200000000, 0.0000056900000000 ] - [ 0.0000051100000000, -0.0002966100000000, 0.0000543600000000 ] - [ 0.0001292000000000, -0.0002767600000000, -0.0000842800000000 ] - [ 0.0000044900000000, 0.0002019600000000, -0.0000647600000000 ] - [ 0.0000179800000000, 0.0001432200000000, -0.0000056900000000 ] - [ -0.0000051100000000, -0.0002966100000000, -0.0000543600000000 ] - [ 0.0001999900000000, 0.0001810600000000, -0.0001595300000000 ] - [ -0.0005020100000000, 0.0002382800000000, 0.0000823200000000 ] - [ 0.0000000000000000, 0.0004138200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001966300000000, 0.0000000000000000 ] - [ -0.0000938800000000, 0.0002563000000000, -0.0000074600000000 ] - [ -0.0000945300000000, -0.0017238500000000, 0.0004709800000000 ] - [ 0.0000000000000000, -0.0005239000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001837200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001397800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006407400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005051100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004269200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001836000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005762800000000, 0.0000000000000000 ] - [ 0.0000938800000000, 0.0002563000000000, 0.0000074600000000 ] - [ 0.0000945300000000, -0.0017238500000000, -0.0004709800000000 ] - [ -0.0001999900000000, 0.0001810600000000, 0.0001595300000000 ] - [ 0.0005020100000000, 0.0002382800000000, -0.0000823200000000 ] - [ 0.0000000000000000, -0.0199484300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016213600000000, 0.0000000000000000 ] - [ 0.0000284900000000, 0.0003025700000000, 0.0002096800000000 ] - [ 0.0001360300000000, -0.0002874500000000, 0.0007614100000000 ] - [ -0.0002313100000000, 0.0002066700000000, 0.0000282300000000 ] - [ 0.0002536200000000, 0.0001848200000000, 0.0006968300000000 ] - [ -0.0002892900000000, 0.0002742200000000, 0.0004980200000000 ] - [ -0.0001758800000000, 0.0002966400000000, -0.0002826800000000 ] - [ -0.0000982600000000, 0.0003225700000000, -0.0000882700000000 ] - [ 0.0002143100000000, -0.0008644400000000, -0.0003262500000000 ] - [ 0.0000982600000000, 0.0003225700000000, 0.0000882700000000 ] - [ -0.0002143100000000, -0.0008644400000000, 0.0003262500000000 ] - [ 0.0002892900000000, 0.0002742200000000, -0.0004980200000000 ] - [ 0.0001758800000000, 0.0002966400000000, 0.0002826800000000 ] - [ 0.0002313100000000, 0.0002066700000000, -0.0000282300000000 ] - [ -0.0002536200000000, 0.0001848200000000, -0.0006968300000000 ] - [ -0.0000284900000000, 0.0003025700000000, -0.0002096800000000 ] - [ -0.0001360300000000, -0.0002874500000000, -0.0007614100000000 ] - [ 0.0000000000000000, -0.0004917300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003655800000000, 0.0000000000000000 ] - [ -0.0001373000000000, -0.0000868100000000, -0.0000211100000000 ] - [ 0.0004354500000000, 0.0092012200000000, -0.0002585500000000 ] - [ 0.0000327500000000, -0.0002030500000000, 0.0001625800000000 ] - [ 0.0002093000000000, -0.0001934100000000, -0.0002058300000000 ] - [ -0.0000680000000000, -0.0001412400000000, -0.0000637500000000 ] - [ 0.0001489700000000, 0.0001182400000000, -0.0001247100000000 ] - [ -0.0000293100000000, 0.0001342500000000, 0.0000030100000000 ] - [ 0.0002018100000000, -0.0002280900000000, -0.0000248100000000 ] - [ -0.0000886300000000, 0.0003673100000000, -0.0001828300000000 ] - [ -0.0000341100000000, -0.0002271400000000, -0.0000237800000000 ] - [ -0.0001209000000000, -0.0002525700000000, -0.0000004000000000 ] - [ -0.0001180400000000, 0.0002598100000000, 0.0000234400000000 ] - [ -0.0000296300000000, 0.0005078400000000, -0.0006131400000000 ] - [ -0.0000798700000000, -0.0003313000000000, 0.0001550700000000 ] - [ 0.0000124900000000, -0.0001469200000000, 0.0000718100000000 ] - [ -0.0000237100000000, 0.0005138800000000, 0.0006106000000000 ] - [ 0.0002642600000000, -0.0002728100000000, -0.0000188400000000 ] - [ -0.0001270800000000, -0.0002658800000000, -0.0002114200000000 ] - [ 0.0001464200000000, 0.0024255800000000, -0.0000205400000000 ] - [ -0.0000101300000000, -0.0001234800000000, -0.0003126900000000 ] - [ 0.0001052000000000, -0.0000025400000000, -0.0001399800000000 ] - [ 0.0000052700000000, -0.0003926700000000, 0.0001218400000000 ] - [ 0.0000424300000000, -0.0001402500000000, -0.0001025100000000 ] - [ -0.0000203500000000, 0.0001660400000000, 0.0001351500000000 ] - [ 0.0001064500000000, 0.0000435000000000, 0.0001267600000000 ] - [ -0.0000708400000000, -0.0002449600000000, -0.0000664400000000 ] - [ 0.0000349400000000, -0.0001181600000000, 0.0000231100000000 ] - [ -0.0001189900000000, 0.0001862100000000, -0.0001828600000000 ] - [ 0.0000304800000000, 0.0003065800000000, 0.0000219300000000 ] - [ 0.0000094500000000, -0.0002403100000000, -0.0000850300000000 ] - [ -0.0000094900000000, -0.0002869600000000, 0.0000136100000000 ] - [ 0.0000681400000000, 0.0003380500000000, -0.0001785600000000 ] - [ -0.0002847300000000, -0.0001613700000000, 0.0000998400000000 ] - [ -0.0003300400000000, -0.0001520000000000, -0.0001862700000000 ] - [ 0.0002134800000000, 0.0004176900000000, -0.0000491600000000 ] - [ 0.0000239500000000, -0.0001594600000000, -0.0001057700000000 ] - [ -0.0002134800000000, 0.0004176900000000, 0.0000491600000000 ] - [ -0.0000239500000000, -0.0001594600000000, 0.0001057700000000 ] - [ 0.0002847300000000, -0.0001613700000000, -0.0000998400000000 ] - [ 0.0003300400000000, -0.0001520000000000, 0.0001862700000000 ] - [ -0.0000304800000000, 0.0003065800000000, -0.0000219300000000 ] - [ -0.0000094500000000, -0.0002403100000000, 0.0000850300000000 ] - [ 0.0000094900000000, -0.0002869600000000, -0.0000136100000000 ] - [ -0.0000681400000000, 0.0003380500000000, 0.0001785600000000 ] - [ -0.0001064500000000, 0.0000435000000000, -0.0001267600000000 ] - [ 0.0000708400000000, -0.0002449600000000, 0.0000664400000000 ] - [ -0.0000349400000000, -0.0001181600000000, -0.0000231100000000 ] - [ 0.0001189900000000, 0.0001862100000000, 0.0001828600000000 ] - [ -0.0001052000000000, -0.0000025400000000, 0.0001399800000000 ] - [ -0.0000052700000000, -0.0003926700000000, -0.0001218400000000 ] - [ -0.0000424300000000, -0.0001402500000000, 0.0001025100000000 ] - [ 0.0000203500000000, 0.0001660400000000, -0.0001351500000000 ] - [ -0.0001464200000000, 0.0024255800000000, 0.0000205400000000 ] - [ 0.0000101300000000, -0.0001234800000000, 0.0003126900000000 ] - [ -0.0002642600000000, -0.0002728100000000, 0.0000188400000000 ] - [ 0.0001270800000000, -0.0002658800000000, 0.0002114200000000 ] - [ -0.0000124900000000, -0.0001469200000000, -0.0000718100000000 ] - [ 0.0000237100000000, 0.0005138800000000, -0.0006106000000000 ] - [ 0.0000296300000000, 0.0005078400000000, 0.0006131400000000 ] - [ 0.0000798700000000, -0.0003313000000000, -0.0001550700000000 ] - [ 0.0000886300000000, 0.0003673100000000, 0.0001828300000000 ] - [ 0.0000341100000000, -0.0002271400000000, 0.0000237800000000 ] - [ 0.0001209000000000, -0.0002525700000000, 0.0000004000000000 ] - [ 0.0001180400000000, 0.0002598100000000, -0.0000234400000000 ] - [ 0.0000293100000000, 0.0001342500000000, -0.0000030100000000 ] - [ -0.0002018100000000, -0.0002280900000000, 0.0000248100000000 ] - [ 0.0000680000000000, -0.0001412400000000, 0.0000637500000000 ] - [ -0.0001489700000000, 0.0001182400000000, 0.0001247100000000 ] - [ -0.0000327500000000, -0.0002030500000000, -0.0001625800000000 ] - [ -0.0002093000000000, -0.0001934100000000, 0.0002058300000000 ] - [ 0.0001373000000000, -0.0000868100000000, 0.0000211100000000 ] - [ -0.0004354500000000, 0.0092012200000000, 0.0002585500000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000952500000000, 0.0003179400000000, 0.0000426600000000 ] - [ -0.0000222900000000, -0.0001558900000000, 0.0000577100000000 ] - [ -0.0000031200000000, -0.0002062100000000, 0.0000123700000000 ] - [ -0.0000275700000000, 0.0002432200000000, -0.0000305600000000 ] - [ -0.0000952500000000, 0.0003179400000000, -0.0000426600000000 ] - [ 0.0000222900000000, -0.0001558900000000, -0.0000577100000000 ] - [ 0.0000031200000000, -0.0002062100000000, -0.0000123700000000 ] - [ 0.0000275700000000, 0.0002432200000000, 0.0000305600000000 ] - [ -0.0005539000000000, -0.0001580000000000, 0.0000814700000000 ] - [ 0.0001477100000000, -0.0002138600000000, -0.0001613100000000 ] - [ 0.0000000000000000, -0.0000927000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005353800000000, 0.0000000000000000 ] - [ -0.0000794700000000, -0.0002496000000000, -0.0000121000000000 ] - [ -0.0000524400000000, 0.0017337200000000, -0.0004406900000000 ] - [ 0.0000000000000000, 0.0002376700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004633400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004608000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003290600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006799300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002365800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004247400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003522200000000, 0.0000000000000000 ] - [ 0.0000794700000000, -0.0002496000000000, 0.0000121000000000 ] - [ 0.0000524400000000, 0.0017337200000000, 0.0004406900000000 ] - [ 0.0005539000000000, -0.0001580000000000, -0.0000814700000000 ] - [ -0.0001477100000000, -0.0002138600000000, 0.0001613100000000 ] - [ 0.0000000000000000, 0.0210830200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019313200000000, 0.0000000000000000 ] - [ 0.0000233000000000, -0.0003015600000000, 0.0002019000000000 ] - [ -0.0000743800000000, 0.0002921700000000, -0.0002766400000000 ] - [ 0.0002674600000000, -0.0002261800000000, 0.0006759000000000 ] - [ -0.0002164300000000, -0.0002037600000000, 0.0000062400000000 ] - [ -0.0001678300000000, -0.0000300600000000, -0.0003278200000000 ] - [ -0.0002816500000000, -0.0000481700000000, 0.0004530500000000 ] - [ -0.0000933600000000, -0.0002924300000000, -0.0000962200000000 ] - [ -0.0003904900000000, 0.0008983500000000, 0.0001478300000000 ] - [ 0.0000933600000000, -0.0002924300000000, 0.0000962200000000 ] - [ 0.0003904900000000, 0.0008983500000000, -0.0001478300000000 ] - [ 0.0001678300000000, -0.0000300600000000, 0.0003278200000000 ] - [ 0.0002816500000000, -0.0000481700000000, -0.0004530500000000 ] - [ -0.0002674600000000, -0.0002261800000000, -0.0006759000000000 ] - [ 0.0002164300000000, -0.0002037600000000, -0.0000062400000000 ] - [ -0.0000233000000000, -0.0003015600000000, -0.0002019000000000 ] - [ 0.0000743800000000, 0.0002921700000000, 0.0002766400000000 ] - [ 0.0000000000000000, 0.0005287300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003107900000000, 0.0000000000000000 ] - [ -0.0001427300000000, 0.0001497300000000, -0.0000086500000000 ] - [ -0.0006780800000000, -0.0091495600000000, 0.0002007200000000 ] - [ 0.0002399800000000, 0.0001850700000000, -0.0002430600000000 ] - [ 0.0000633300000000, 0.0001749400000000, 0.0001275900000000 ] - [ 0.0000915900000000, 0.0002179600000000, -0.0000924700000000 ] - [ -0.0001288300000000, -0.0000500900000000, -0.0000319400000000 ] - [ 0.0002750800000000, -0.0001901400000000, -0.0000478300000000 ] - [ 0.0000460500000000, 0.0001657700000000, -0.0000192900000000 ] - [ -0.0001195100000000, -0.0003483600000000, 0.0001627500000000 ] - [ -0.0001711600000000, 0.0002371800000000, 0.0000086800000000 ] - [ -0.0000256200000000, 0.0001994900000000, -0.0000009900000000 ] - [ -0.0000292400000000, -0.0003245200000000, -0.0000306900000000 ] - [ -0.0000517900000000, -0.0006737300000000, 0.0007954000000000 ] - [ -0.0000016700000000, 0.0001500200000000, 0.0000427700000000 ] - [ -0.0000615200000000, 0.0003335800000000, 0.0001707800000000 ] - [ -0.0000250800000000, -0.0003456300000000, -0.0003839900000000 ] - [ -0.0001499600000000, 0.0001711500000000, -0.0001986400000000 ] - [ 0.0002512900000000, 0.0001645300000000, -0.0000015600000000 ] - [ -0.0001498000000000, -0.0024058500000000, -0.0005949800000000 ] - [ -0.0000165200000000, 0.0001434700000000, -0.0003182100000000 ] - [ -0.0000563600000000, -0.0003670800000000, 0.0001970100000000 ] - [ 0.0000410900000000, 0.0000160100000000, -0.0000621100000000 ] - [ -0.0000011200000000, 0.0002609200000000, 0.0000939100000000 ] - [ 0.0000653600000000, -0.0000538500000000, -0.0001472800000000 ] - [ -0.0001263300000000, -0.0001141700000000, -0.0000789000000000 ] - [ 0.0000488000000000, 0.0001710600000000, 0.0001140300000000 ] - [ -0.0000894300000000, 0.0003027900000000, -0.0001597300000000 ] - [ 0.0000671900000000, -0.0000057400000000, 0.0000484400000000 ] - [ 0.0000538300000000, -0.0002865400000000, -0.0000704700000000 ] - [ 0.0000711800000000, 0.0002567900000000, 0.0000340700000000 ] - [ -0.0000724900000000, 0.0002118900000000, -0.0000991400000000 ] - [ -0.0001463000000000, -0.0004187100000000, 0.0000931200000000 ] - [ -0.0003262900000000, 0.0001291400000000, -0.0002135700000000 ] - [ -0.0002804800000000, 0.0001206000000000, 0.0000737700000000 ] - [ -0.0001562500000000, -0.0004597600000000, -0.0001491600000000 ] - [ 0.0000207800000000, 0.0001190800000000, -0.0000989800000000 ] - [ 0.0001562500000000, -0.0004597600000000, 0.0001491600000000 ] - [ -0.0000207800000000, 0.0001190800000000, 0.0000989800000000 ] - [ 0.0003262900000000, 0.0001291400000000, 0.0002135700000000 ] - [ 0.0002804800000000, 0.0001206000000000, -0.0000737700000000 ] - [ -0.0000538300000000, -0.0002865400000000, 0.0000704700000000 ] - [ -0.0000711800000000, 0.0002567900000000, -0.0000340700000000 ] - [ 0.0000724900000000, 0.0002118900000000, 0.0000991400000000 ] - [ 0.0001463000000000, -0.0004187100000000, -0.0000931200000000 ] - [ 0.0001263300000000, -0.0001141700000000, 0.0000789000000000 ] - [ -0.0000488000000000, 0.0001710600000000, -0.0001140300000000 ] - [ 0.0000894300000000, 0.0003027900000000, 0.0001597300000000 ] - [ -0.0000671900000000, -0.0000057400000000, -0.0000484400000000 ] - [ 0.0000563600000000, -0.0003670800000000, -0.0001970100000000 ] - [ -0.0000410900000000, 0.0000160100000000, 0.0000621100000000 ] - [ 0.0000011200000000, 0.0002609200000000, -0.0000939100000000 ] - [ -0.0000653600000000, -0.0000538500000000, 0.0001472800000000 ] - [ 0.0001498000000000, -0.0024058500000000, 0.0005949800000000 ] - [ 0.0000165200000000, 0.0001434700000000, 0.0003182100000000 ] - [ 0.0001499600000000, 0.0001711500000000, 0.0001986400000000 ] - [ -0.0002512900000000, 0.0001645300000000, 0.0000015600000000 ] - [ 0.0000615200000000, 0.0003335800000000, -0.0001707800000000 ] - [ 0.0000250800000000, -0.0003456300000000, 0.0003839900000000 ] - [ 0.0000517900000000, -0.0006737300000000, -0.0007954000000000 ] - [ 0.0000016700000000, 0.0001500200000000, -0.0000427700000000 ] - [ 0.0001195100000000, -0.0003483600000000, -0.0001627500000000 ] - [ 0.0001711600000000, 0.0002371800000000, -0.0000086800000000 ] - [ 0.0000256200000000, 0.0001994900000000, 0.0000009900000000 ] - [ 0.0000292400000000, -0.0003245200000000, 0.0000306900000000 ] - [ -0.0002750800000000, -0.0001901400000000, 0.0000478300000000 ] - [ -0.0000460500000000, 0.0001657700000000, 0.0000192900000000 ] - [ -0.0000915900000000, 0.0002179600000000, 0.0000924700000000 ] - [ 0.0001288300000000, -0.0000500900000000, 0.0000319400000000 ] - [ -0.0002399800000000, 0.0001850700000000, 0.0002430600000000 ] - [ -0.0000633300000000, 0.0001749400000000, -0.0001275900000000 ] - [ 0.0001427300000000, 0.0001497300000000, 0.0000086500000000 ] - [ 0.0006780800000000, -0.0091495600000000, -0.0002007200000000 ]- atom: 27 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0010185100000000, -0.0001006000000000, 0.0004795400000000 ] - [ -0.0000251800000000, 0.0000331600000000, 0.0001001600000000 ] - [ -0.0000209400000000, -0.0000289900000000, 0.0000614300000000 ] - [ -0.0010550600000000, 0.0000498400000000, 0.0004639300000000 ] - [ -0.0009829500000000, 0.0001497400000000, 0.0003507200000000 ] - [ 0.0000053700000000, 0.0000150400000000, -0.0000229000000000 ] - [ -0.0000000100000000, -0.0000166000000000, 0.0000356200000000 ] - [ -0.0010303800000000, -0.0000966400000000, 0.0004346200000000 ] - [ -0.0003198400000000, -0.0003952000000000, -0.0002114700000000 ] - [ -0.0002679600000000, 0.0004474900000000, -0.0001991000000000 ] - [ -0.0000624600000000, 0.0001748700000000, -0.0000682000000000 ] - [ -0.0018108200000000, 0.0001777800000000, -0.0003645200000000 ] - [ -0.0000846400000000, 0.0000092300000000, -0.0000203100000000 ] - [ -0.0008480700000000, 0.0002309100000000, -0.0136051800000000 ] - [ 0.0016883200000000, -0.0001415900000000, 0.0010052100000000 ] - [ 0.0000396300000000, -0.0001497300000000, 0.0000273700000000 ] - [ 0.0000405400000000, -0.0001439300000000, 0.0000360800000000 ] - [ 0.0017259200000000, -0.0001507900000000, 0.0008179600000000 ] - [ -0.0002179800000000, 0.0000868700000000, 0.0034124700000000 ] - [ -0.0000798600000000, 0.0000865300000000, 0.0000845300000000 ] - [ -0.0000894300000000, -0.0001056900000000, 0.0000845400000000 ] - [ -0.0001405200000000, -0.0001064400000000, 0.0033571900000000 ] - [ 0.0000834000000000, 0.0000097100000000, -0.0000008800000000 ] - [ -0.0006745700000000, -0.0002128600000000, -0.0136323000000000 ] - [ 0.0000366500000000, 0.0004181300000000, -0.0001257700000000 ] - [ 0.0000886500000000, -0.0004208300000000, -0.0001134800000000 ] - [ 0.0331141900000000, 0.0001057800000000, -0.0167058800000000 ] - [ 0.0000581600000000, -0.0000485400000000, -0.0001056100000000 ] - [ 0.0000187100000000, 0.0000087300000000, 0.0002033300000000 ] - [ -0.0080648900000000, 0.0000930900000000, 0.0164246800000000 ] - [ 0.0002332900000000, -0.0001286200000000, 0.0001468700000000 ] - [ 0.0002097600000000, 0.0000754100000000, 0.0001534400000000 ] - [ -0.0001356500000000, 0.0004252900000000, 0.0004074700000000 ] - [ -0.0001445800000000, -0.0001794600000000, 0.0003333000000000 ] - [ -0.0000831700000000, 0.0000214900000000, -0.0000943400000000 ] - [ 0.0021851800000000, 0.0002728600000000, 0.0081640600000000 ] - [ 0.0001028300000000, 0.0000241100000000, 0.0000956500000000 ] - [ 0.0023757700000000, -0.0002318700000000, 0.0084007200000000 ] - [ 0.0003266800000000, -0.0001787200000000, 0.0002209500000000 ] - [ 0.0003174000000000, 0.0004251900000000, 0.0001469300000000 ] - [ 0.0002020900000000, 0.0001100100000000, -0.0005394700000000 ] - [ 0.0001782700000000, -0.0000984500000000, -0.0005331500000000 ] - [ -0.0000269400000000, 0.0000090500000000, -0.0002015700000000 ] - [ -0.0082406300000000, -0.0000769300000000, 0.0160111900000000 ] - [ -0.0022445700000000, 0.0000137000000000, -0.0001358800000000 ] - [ -0.0000911600000000, 0.0000173500000000, -0.0000968600000000 ] - [ -0.0001414100000000, 0.0000358700000000, -0.0000008100000000 ] - [ -0.0051329000000000, 0.0000729600000000, 0.0074821200000000 ] - [ 0.0001352100000000, 0.0002525600000000, -0.0001723800000000 ] - [ 0.0001262100000000, -0.0002072100000000, -0.0001506800000000 ] - [ 0.0000765800000000, 0.0001325800000000, -0.0000471400000000 ] - [ 0.0005210300000000, -0.0002432900000000, 0.0000427300000000 ] - [ 0.0007229100000000, 0.0001033400000000, 0.0001585800000000 ] - [ 0.0001881200000000, -0.0001346100000000, 0.0000222300000000 ] - [ 0.0012316900000000, -0.0007222900000000, 0.0016662600000000 ] - [ -0.0000852900000000, 0.0000009900000000, 0.0000091100000000 ] - [ -0.0000608400000000, -0.0000163800000000, 0.0000164500000000 ] - [ 0.0011884100000000, 0.0004644100000000, 0.0019777700000000 ] - [ 0.0017468400000000, 0.0021657700000000, -0.0035480300000000 ] - [ -0.0000271500000000, -0.0000895600000000, 0.0000817900000000 ] - [ -0.0000135900000000, 0.0000998600000000, 0.0001009500000000 ] - [ 0.0017595000000000, -0.0021747500000000, -0.0035526000000000 ] - [ 0.0000202900000000, -0.0001146600000000, 0.0001022300000000 ] - [ 0.0000268700000000, 0.0000268000000000, 0.0000938500000000 ] - [ -0.0059270300000000, -0.0000740500000000, -0.0036964300000000 ] - [ -0.0000212400000000, 0.0000132600000000, -0.0003091700000000 ] - [ 0.0002216100000000, -0.0000969100000000, -0.0006068900000000 ] - [ 0.0000411100000000, -0.0001000500000000, -0.0000711800000000 ] - [ 0.0000383800000000, -0.0000303500000000, -0.0001186500000000 ] - [ 0.0001987900000000, 0.0000303100000000, -0.0006100900000000 ] - [ -0.0003215900000000, -0.0001141400000000, -0.0001011100000000 ] - [ -0.0000447400000000, -0.0000379300000000, 0.0000400000000000 ] - [ -0.0000640600000000, 0.0001065000000000, -0.0000580900000000 ] - [ -0.0003161500000000, 0.0002033700000000, -0.0001881900000000 ] - [ -0.0008087300000000, -0.0013285700000000, -0.0021694600000000 ] - [ 0.0000307300000000, 0.0000180500000000, -0.0000262000000000 ] - [ -0.0000483700000000, -0.0000409600000000, -0.0000463300000000 ] - [ -0.0009117100000000, 0.0013925000000000, -0.0020169300000000 ] - [ -0.0004520000000000, 0.0000935600000000, -0.0000784100000000 ] - [ -0.0004484100000000, -0.0001056500000000, -0.0000643600000000 ] - [ -0.0011731100000000, 0.0000286300000000, -0.0027809300000000 ] - [ 0.0000182900000000, -0.0000164900000000, -0.0000994700000000 ] - [ -0.0012115100000000, -0.0000595700000000, -0.0026543500000000 ] - [ -0.0000238700000000, -0.0000164300000000, 0.0001009800000000 ] - [ 0.0001634900000000, -0.0001217400000000, 0.0000455100000000 ] - [ 0.0001664700000000, 0.0000784800000000, 0.0000592000000000 ] - [ -0.0008930100000000, 0.0013455700000000, -0.0021158400000000 ] - [ -0.0000490400000000, 0.0000080700000000, 0.0000213000000000 ] - [ 0.0000286900000000, -0.0000285500000000, 0.0000396200000000 ] - [ -0.0008388000000000, -0.0014505500000000, -0.0019220600000000 ] - [ -0.0002986100000000, 0.0000429000000000, -0.0001458600000000 ] - [ -0.0000205300000000, -0.0000283000000000, -0.0000086900000000 ] - [ -0.0000154000000000, 0.0000769000000000, 0.0000814100000000 ] - [ -0.0002681100000000, -0.0000144100000000, -0.0000457900000000 ] - [ 0.0001719300000000, -0.0002728700000000, -0.0006657600000000 ] - [ -0.0000064600000000, -0.0002691800000000, -0.0001298100000000 ] - [ 0.0000001500000000, 0.0001522500000000, -0.0001054300000000 ] - [ 0.0001583600000000, 0.0000918200000000, -0.0005968600000000 ] - [ -0.0059551600000000, 0.0000988400000000, -0.0031193200000000 ] - [ 0.0000087900000000, 0.0000121300000000, 0.0003264300000000 ] - [ -0.0000932600000000, 0.0000202200000000, 0.0003179600000000 ] - [ -0.0000866100000000, -0.0001221700000000, 0.0003090500000000 ] - [ 0.0000374200000000, 0.0000964600000000, -0.0001327400000000 ] - [ 0.0018145700000000, 0.0023626600000000, -0.0037687000000000 ] - [ 0.0018294500000000, -0.0023324100000000, -0.0037225100000000 ] - [ 0.0000495700000000, -0.0000850700000000, -0.0001113100000000 ] - [ 0.0014408500000000, 0.0007378300000000, 0.0016916000000000 ] - [ 0.0001248400000000, 0.0000125300000000, 0.0000262700000000 ] - [ 0.0000915200000000, -0.0000304400000000, 0.0000109000000000 ] - [ 0.0013381100000000, -0.0005125600000000, 0.0019823300000000 ] - [ 0.0004676700000000, -0.0001616600000000, 0.0001996400000000 ] - [ -0.0000666200000000, 0.0000749900000000, 0.0000616900000000 ] - [ 0.0000512800000000, -0.0000525900000000, 0.0001052300000000 ] - [ 0.0004950900000000, 0.0003208800000000, 0.0001965200000000 ] - [ -0.0001444700000000, -0.0002629800000000, -0.0000895000000000 ] - [ -0.0001535500000000, 0.0001951500000000, -0.0000681500000000 ] - [ 0.0001398100000000, 0.0000355000000000, 0.0000193900000000 ] - [ -0.0060173400000000, -0.0000141100000000, 0.0078440200000000 ]- atom: 29 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0002787900000000, -0.0001481800000000, 0.0000674500000000 ] - [ 0.0109370600000000, 0.0081782300000000, -0.0010355400000000 ] - [ 0.0105635000000000, -0.0080449100000000, -0.0012359000000000 ] - [ 0.0002925300000000, 0.0001060500000000, 0.0000378700000000 ] - [ -0.0001334500000000, 0.0001232100000000, 0.0000312300000000 ] - [ -0.0019357900000000, -0.0037797800000000, 0.0041171400000000 ] - [ -0.0020107700000000, 0.0037149600000000, 0.0039685000000000 ] - [ -0.0001380100000000, -0.0001635900000000, 0.0000765500000000 ] - [ -0.0017459600000000, -0.0018372100000000, 0.0011430500000000 ] - [ -0.0015935600000000, 0.0018317500000000, 0.0011080400000000 ] - [ 0.0003350000000000, -0.0001558500000000, 0.0050196400000000 ] - [ 0.0001638000000000, 0.0002601700000000, 0.0002081400000000 ] - [ 0.0121197400000000, 0.0009007800000000, -0.0040535800000000 ] - [ -0.0000290600000000, -0.0000271000000000, -0.0000468200000000 ] - [ 0.0001866700000000, 0.0001327400000000, 0.0000044200000000 ] - [ 0.0079278000000000, -0.0049907300000000, 0.0005679500000000 ] - [ 0.0079266400000000, 0.0047694600000000, 0.0006263000000000 ] - [ 0.0001884700000000, -0.0004778900000000, 0.0000201800000000 ] - [ -0.0004333500000000, -0.0000743100000000, -0.0000267600000000 ] - [ -0.0148395800000000, 0.0035432200000000, -0.0118346600000000 ] - [ -0.0137705600000000, -0.0039078600000000, -0.0117329100000000 ] - [ -0.0004689300000000, 0.0000234500000000, -0.0000148400000000 ] - [ -0.0043226500000000, -0.0002834300000000, 0.0016914700000000 ] - [ 0.0000809600000000, -0.0000240800000000, 0.0000648400000000 ] - [ 0.0002669700000000, 0.0002313600000000, -0.0003306000000000 ] - [ 0.0002870100000000, -0.0001412700000000, -0.0004046900000000 ] - [ -0.0000129300000000, -0.0000255100000000, -0.0000083600000000 ] - [ 0.0008647600000000, 0.0000794800000000, -0.0088677700000000 ] - [ -0.4433507600000000, 0.0049473400000000, -0.0013746100000000 ] - [ -0.0001276800000000, -0.0000187700000000, 0.0002549300000000 ] - [ 0.0008402300000000, 0.0010845100000000, -0.0001035300000000 ] - [ 0.0008670800000000, -0.0011665200000000, -0.0000494600000000 ] - [ 0.0005598100000000, -0.0025555700000000, -0.0021321500000000 ] - [ 0.0005131400000000, 0.0028972400000000, -0.0024744400000000 ] - [ 0.0640961000000000, 0.0001448300000000, 0.0179261000000000 ] - [ -0.0001894700000000, -0.0000146800000000, -0.0001833400000000 ] - [ 0.0075716100000000, 0.0000200100000000, -0.0047457700000000 ] - [ 0.0002041600000000, -0.0000070900000000, 0.0001056100000000 ] - [ -0.0015489100000000, 0.0010658100000000, -0.0002112100000000 ] - [ -0.0017500200000000, -0.0010081600000000, -0.0004244800000000 ] - [ 0.0013074000000000, 0.0016950600000000, 0.0003618200000000 ] - [ 0.0013723000000000, -0.0017082200000000, 0.0003536300000000 ] - [ -0.0046989300000000, 0.0001292700000000, -0.0054909100000000 ] - [ -0.0000266700000000, -0.0000192800000000, -0.0002775200000000 ] - [ 0.0002298000000000, -0.0001767300000000, 0.0003002300000000 ] - [ 0.0005384200000000, -0.0000597000000000, 0.0060531600000000 ] - [ 0.0466883500000000, 0.0000876900000000, -0.0265684500000000 ] - [ -0.0000891400000000, 0.0000433500000000, -0.0000797900000000 ] - [ 0.0014038000000000, 0.0003654200000000, 0.0001708900000000 ] - [ 0.0016548700000000, -0.0005642700000000, 0.0001278100000000 ] - [ -0.0008836100000000, 0.0028509500000000, -0.0029617100000000 ] - [ -0.0000455400000000, -0.0004797200000000, -0.0002306400000000 ] - [ 0.0000457700000000, 0.0005754200000000, -0.0002175600000000 ] - [ -0.0009417500000000, -0.0021222900000000, -0.0031980700000000 ] - [ -0.0002339100000000, 0.0000840200000000, -0.0000031000000000 ] - [ -0.0050030900000000, 0.0001495800000000, -0.0022290900000000 ] - [ -0.0067699000000000, -0.0001068700000000, -0.0025463100000000 ] - [ -0.0001788400000000, -0.0000412000000000, 0.0000092000000000 ] - [ 0.0000484400000000, 0.0000352600000000, 0.0000509600000000 ] - [ 0.0821572800000000, 0.0717081200000000, -0.0255832200000000 ] - [ 0.0821474000000000, -0.0741128900000000, -0.0283112000000000 ] - [ 0.0000641800000000, 0.0000057100000000, 0.0000837300000000 ] - [ -0.0003579700000000, -0.0002717900000000, 0.0002421500000000 ] - [ -0.0003542700000000, 0.0002153700000000, 0.0002794400000000 ] - [ -0.0000294900000000, 0.0000227700000000, -0.0002593000000000 ] - [ -0.0179272800000000, 0.0001148300000000, 0.0088048100000000 ] - [ 0.0000882600000000, 0.0006597800000000, 0.0001070500000000 ] - [ -0.0023422800000000, -0.0055629800000000, 0.0040437200000000 ] - [ -0.0021183900000000, 0.0049886800000000, 0.0037663900000000 ] - [ 0.0001116700000000, -0.0008254500000000, 0.0001041700000000 ] - [ -0.0003208100000000, -0.0003704800000000, -0.0000270800000000 ] - [ -0.0021245100000000, 0.0008938300000000, 0.0005899900000000 ] - [ -0.0021118000000000, -0.0008354700000000, 0.0006507200000000 ] - [ -0.0003547900000000, 0.0004827100000000, -0.0001466600000000 ] - [ -0.0000825700000000, -0.0000140200000000, -0.0000294900000000 ] - [ -0.0057703700000000, -0.0004857700000000, 0.0017628700000000 ] - [ -0.0056038500000000, 0.0004291500000000, 0.0016157500000000 ] - [ -0.0001755900000000, 0.0000314100000000, -0.0000589200000000 ] - [ -0.0000817000000000, -0.0007165300000000, -0.0001274100000000 ] - [ -0.0000808900000000, 0.0007728400000000, -0.0000958200000000 ] - [ -0.0000204300000000, -0.0000042000000000, -0.0000840600000000 ] - [ -0.0007267600000000, 0.0000582900000000, 0.0053455300000000 ] - [ 0.0001151400000000, -0.0000045700000000, 0.0001329200000000 ] - [ 0.2120764500000000, -0.0030028100000000, 0.0896396100000000 ] - [ -0.0012838100000000, 0.0001048400000000, 0.0006678500000000 ] - [ -0.0013587300000000, -0.0001461300000000, 0.0007374500000000 ] - [ -0.0000051100000000, -0.0000740400000000, 0.0000472200000000 ] - [ -0.0126436700000000, 0.0102469600000000, -0.0084648000000000 ] - [ -0.0128197900000000, -0.0108749400000000, -0.0083508800000000 ] - [ 0.0000824300000000, 0.0000950400000000, 0.0000716000000000 ] - [ -0.0001383400000000, -0.0005240500000000, -0.0000638500000000 ] - [ -0.0012128300000000, 0.0028320600000000, -0.0016117600000000 ] - [ -0.0011785500000000, -0.0026826100000000, -0.0014874700000000 ] - [ -0.0001323800000000, 0.0006123900000000, 0.0000316400000000 ] - [ 0.0002885100000000, -0.0004426500000000, -0.0000295900000000 ] - [ 0.0040169400000000, 0.0004137300000000, 0.0011480000000000 ] - [ 0.0041989800000000, -0.0001554000000000, 0.0012504700000000 ] - [ 0.0003359400000000, 0.0003934400000000, 0.0000222300000000 ] - [ -0.0000069000000000, 0.0000213400000000, 0.0002981900000000 ] - [ -0.0021612000000000, -0.0000234900000000, 0.0024801000000000 ] - [ 0.0002557100000000, -0.0002627000000000, -0.0008051700000000 ] - [ 0.0002168200000000, 0.0001856700000000, -0.0007678200000000 ] - [ 0.0056452900000000, -0.0022252800000000, 0.0019357300000000 ] - [ 0.0001045900000000, 0.0000928900000000, -0.0001058100000000 ] - [ 0.0001105800000000, -0.0000543700000000, -0.0000765800000000 ] - [ 0.0056936600000000, 0.0020909600000000, 0.0015538900000000 ] - [ 0.0001245000000000, 0.0000521000000000, -0.0001103900000000 ] - [ 0.0023621300000000, 0.0019517800000000, -0.0018075200000000 ] - [ 0.0022144000000000, -0.0016109300000000, -0.0018138200000000 ] - [ 0.0000856900000000, -0.0000043900000000, -0.0000943100000000 ] - [ -0.0001557500000000, -0.0000656200000000, -0.0000216800000000 ] - [ -0.0001617500000000, 0.0002361300000000, -0.0012920000000000 ] - [ 0.0000963100000000, -0.0003276100000000, -0.0010109600000000 ] - [ -0.0000150800000000, 0.0000795700000000, 0.0000517800000000 ] - [ 0.0002799700000000, 0.0003144800000000, 0.0009966000000000 ] - [ 0.0003521600000000, -0.0002801800000000, 0.0011308800000000 ] - [ -0.0025702900000000, -0.0001301500000000, 0.0036103000000000 ] - [ 0.0001147600000000, 0.0000447900000000, 0.0000622300000000 ]- atom: 29 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0003041000000000, 0.0002038400000000, 0.0000415200000000 ] - [ -0.0109626400000000, -0.0080272800000000, 0.0011180500000000 ] - [ -0.0105940400000000, 0.0078815900000000, 0.0012385600000000 ] - [ -0.0003200100000000, -0.0001730000000000, -0.0000054200000000 ] - [ 0.0001647200000000, -0.0000734300000000, -0.0001522400000000 ] - [ 0.0019757600000000, 0.0038326700000000, -0.0042339100000000 ] - [ 0.0020371300000000, -0.0037812700000000, -0.0039853200000000 ] - [ 0.0001548900000000, 0.0000993800000000, -0.0000972800000000 ] - [ 0.0013636900000000, 0.0018922800000000, -0.0012155800000000 ] - [ 0.0012103700000000, -0.0017860300000000, -0.0011815100000000 ] - [ -0.0003806500000000, 0.0004241200000000, -0.0049840200000000 ] - [ -0.0001651700000000, 0.0000498300000000, -0.0002085400000000 ] - [ -0.0122885200000000, -0.0008768600000000, 0.0040790800000000 ] - [ -0.0001499900000000, 0.0000325400000000, 0.0000367000000000 ] - [ -0.0001863000000000, -0.0003801000000000, -0.0000058100000000 ] - [ -0.0079209800000000, 0.0047705500000000, -0.0005776300000000 ] - [ -0.0079217800000000, -0.0051286300000000, -0.0006368400000000 ] - [ -0.0001883200000000, 0.0001452200000000, -0.0000217000000000 ] - [ 0.0004336700000000, 0.0002966100000000, 0.0000274100000000 ] - [ 0.0148463500000000, -0.0033603000000000, 0.0118943000000000 ] - [ 0.0137770100000000, 0.0036913400000000, 0.0117898500000000 ] - [ 0.0004695600000000, -0.0002792200000000, 0.0000159100000000 ] - [ 0.0044730400000000, 0.0002889100000000, -0.0017222900000000 ] - [ 0.0000986800000000, 0.0000291200000000, -0.0000543000000000 ] - [ 0.0001099000000000, -0.0001900000000000, 0.0004034900000000 ] - [ 0.0000901500000000, 0.0001991800000000, 0.0004773200000000 ] - [ 0.0000124200000000, -0.0000240500000000, 0.0000092700000000 ] - [ -0.0008054300000000, -0.0001273100000000, 0.0088677300000000 ] - [ 0.4560083300000000, -0.0052771200000000, 0.0124793200000000 ] - [ 0.0001860800000000, 0.0000223500000000, 0.0001773900000000 ] - [ -0.0007830200000000, -0.0011012700000000, 0.0008466100000000 ] - [ -0.0008109400000000, 0.0011783300000000, 0.0007923800000000 ] - [ -0.0010253900000000, 0.0028303100000000, 0.0022731900000000 ] - [ -0.0009782100000000, -0.0026468000000000, 0.0026170400000000 ] - [ -0.0646155300000000, -0.0001003000000000, -0.0184459800000000 ] - [ -0.0000074800000000, 0.0000462200000000, 0.0000011300000000 ] - [ -0.0073735800000000, 0.0000134000000000, 0.0049072200000000 ] - [ -0.0000061800000000, 0.0000383000000000, 0.0000765300000000 ] - [ 0.0020249500000000, -0.0007943200000000, 0.0000801800000000 ] - [ 0.0022265500000000, 0.0012616400000000, 0.0002939900000000 ] - [ -0.0013624900000000, -0.0017032500000000, -0.0011113800000000 ] - [ -0.0014271000000000, 0.0017134700000000, -0.0011027400000000 ] - [ 0.0045933500000000, -0.0001243000000000, 0.0051345900000000 ] - [ -0.0000313400000000, 0.0000234000000000, -0.0001555800000000 ] - [ -0.0002309800000000, 0.0002615900000000, -0.0003008800000000 ] - [ -0.0005884200000000, 0.0001919700000000, -0.0060160000000000 ] - [ -0.0466143100000000, -0.0000107500000000, 0.0256667400000000 ] - [ -0.0001805500000000, 0.0000314200000000, 0.0000282900000000 ] - [ -0.0011268400000000, -0.0003870900000000, -0.0002949300000000 ] - [ -0.0013788400000000, 0.0005581600000000, -0.0002486300000000 ] - [ 0.0009378000000000, -0.0027482600000000, 0.0028138300000000 ] - [ 0.0000744600000000, 0.0005710400000000, 0.0000763700000000 ] - [ 0.0002186700000000, -0.0006501800000000, 0.0001684500000000 ] - [ 0.0012315200000000, 0.0020339800000000, 0.0031587100000000 ] - [ 0.0000198900000000, -0.0000711700000000, -0.0000150600000000 ] - [ 0.0047870200000000, -0.0001792900000000, 0.0021754700000000 ] - [ 0.0065899400000000, 0.0001119600000000, 0.0025061100000000 ] - [ 0.0000280900000000, 0.0000050100000000, -0.0000068500000000 ] - [ -0.0001254900000000, -0.0002075200000000, 0.0001373500000000 ] - [ -0.0820024900000000, -0.0696559300000000, 0.0247468000000000 ] - [ -0.0820337000000000, 0.0721110500000000, 0.0274992400000000 ] - [ -0.0001064000000000, 0.0001941500000000, 0.0001541100000000 ] - [ 0.0004415300000000, 0.0001783600000000, -0.0004907100000000 ] - [ 0.0004382800000000, -0.0003202000000000, -0.0005279900000000 ] - [ -0.0000010000000000, 0.0000112700000000, -0.0003724300000000 ] - [ 0.0179230500000000, -0.0000826800000000, -0.0094161200000000 ] - [ -0.0000506500000000, -0.0010455400000000, -0.0000426900000000 ] - [ 0.0024115000000000, 0.0052278200000000, -0.0040126100000000 ] - [ 0.0021840100000000, -0.0048996300000000, -0.0038044600000000 ] - [ -0.0000767400000000, 0.0009622300000000, -0.0001112900000000 ] - [ 0.0002971100000000, 0.0002931300000000, 0.0000570100000000 ] - [ 0.0020976000000000, -0.0009893000000000, -0.0005599300000000 ] - [ 0.0020490200000000, 0.0010488500000000, -0.0007959000000000 ] - [ 0.0002963900000000, -0.0002884700000000, -0.0000005500000000 ] - [ 0.0001687500000000, 0.0000380300000000, -0.0000190500000000 ] - [ 0.0058450200000000, 0.0004922200000000, -0.0017962900000000 ] - [ 0.0055159300000000, -0.0004685900000000, -0.0016875700000000 ] - [ 0.0000984500000000, -0.0000838900000000, -0.0000292000000000 ] - [ -0.0005468400000000, 0.0006864100000000, -0.0000170000000000 ] - [ -0.0005471000000000, -0.0008071600000000, -0.0000486700000000 ] - [ 0.0000647600000000, -0.0000215100000000, -0.0001047500000000 ] - [ 0.0007960700000000, -0.0000847600000000, -0.0055388600000000 ] - [ -0.0001602300000000, -0.0000209100000000, 0.0000565400000000 ] - [ -0.2250739100000000, 0.0032518700000000, -0.0968362600000000 ] - [ 0.0019109200000000, -0.0001374400000000, -0.0005236500000000 ] - [ 0.0019852100000000, 0.0001154400000000, -0.0005937200000000 ] - [ -0.0000816100000000, 0.0000976500000000, 0.0000026900000000 ] - [ 0.0125192900000000, -0.0102000200000000, 0.0085190200000000 ] - [ 0.0128724400000000, 0.0108008600000000, 0.0084486900000000 ] - [ -0.0000035200000000, -0.0001476200000000, 0.0000156700000000 ] - [ 0.0001643800000000, 0.0004435000000000, 0.0000348200000000 ] - [ 0.0012374600000000, -0.0029186700000000, 0.0015841700000000 ] - [ 0.0012356000000000, 0.0028869400000000, 0.0016403300000000 ] - [ 0.0001901700000000, -0.0004148500000000, 0.0001195100000000 ] - [ -0.0003279100000000, 0.0000591900000000, -0.0000355100000000 ] - [ -0.0040780700000000, -0.0007770500000000, -0.0012239300000000 ] - [ -0.0042582400000000, 0.0002696900000000, -0.0012567300000000 ] - [ -0.0003711100000000, -0.0002593100000000, -0.0000173400000000 ] - [ 0.0000370000000000, 0.0000119600000000, 0.0003351000000000 ] - [ 0.0021621000000000, 0.0000568800000000, -0.0018322700000000 ] - [ -0.0003380100000000, 0.0001636100000000, 0.0010563200000000 ] - [ -0.0002992600000000, -0.0002859100000000, 0.0010178000000000 ] - [ -0.0056097400000000, 0.0024349100000000, -0.0022173400000000 ] - [ -0.0000621100000000, 0.0001066500000000, -0.0001331300000000 ] - [ -0.0000333500000000, -0.0001183800000000, -0.0001102100000000 ] - [ -0.0056231200000000, -0.0022751100000000, -0.0017836600000000 ] - [ 0.0000886900000000, -0.0000396800000000, 0.0001295300000000 ] - [ -0.0021243600000000, -0.0019342700000000, 0.0018294300000000 ] - [ -0.0020379800000000, 0.0015694700000000, 0.0018161800000000 ] - [ 0.0000669100000000, -0.0000319300000000, 0.0000927100000000 ] - [ -0.0001070300000000, -0.0000081300000000, 0.0000690600000000 ] - [ -0.0000981400000000, -0.0003218400000000, 0.0013303900000000 ] - [ -0.0001202700000000, 0.0004282400000000, 0.0011558500000000 ] - [ -0.0000115300000000, 0.0000101000000000, 0.0001022100000000 ] - [ -0.0005630300000000, -0.0003308700000000, -0.0008803900000000 ] - [ -0.0006354700000000, 0.0002663300000000, -0.0010162600000000 ] - [ 0.0028397600000000, 0.0002022900000000, -0.0035938300000000 ] - [ 0.0001561400000000, 0.0000299600000000, -0.0000125400000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003855700000000, 0.0027205100000000, 0.0000280200000000 ] - [ 0.0171521900000000, 0.0072996600000000, 0.0001619600000000 ] - [ -0.0173416300000000, 0.0070709400000000, -0.0002316800000000 ] - [ 0.0004170300000000, 0.0027023600000000, 0.0000579900000000 ] - [ 0.0002432900000000, 0.0024740000000000, 0.0002028400000000 ] - [ -0.0024751700000000, -0.0022104000000000, -0.0010096600000000 ] - [ 0.0026253800000000, -0.0023259100000000, 0.0011090500000000 ] - [ -0.0002701700000000, 0.0024867000000000, -0.0003037200000000 ] - [ -0.0001641800000000, 0.0061952100000000, -0.0026828700000000 ] - [ 0.0002622600000000, 0.0059508700000000, 0.0026561600000000 ] - [ -0.0032582900000000, -0.0028804600000000, -0.0053878200000000 ] - [ 0.0003304800000000, 0.0036509500000000, 0.0004006900000000 ] - [ -0.0000909000000000, -0.0092769200000000, -0.0000323300000000 ] - [ -0.0001350000000000, 0.0032444700000000, 0.0000269100000000 ] - [ 0.0000123500000000, 0.0034578900000000, 0.0000831900000000 ] - [ 0.0014161800000000, -0.0028845300000000, -0.0005282600000000 ] - [ -0.0014533500000000, -0.0029545500000000, 0.0005047100000000 ] - [ -0.0000152500000000, 0.0034175300000000, -0.0000758400000000 ] - [ -0.0000359000000000, 0.0048210300000000, 0.0003091500000000 ] - [ -0.0055432700000000, 0.0220055400000000, -0.0324009800000000 ] - [ 0.0054821800000000, 0.0220725800000000, 0.0321781500000000 ] - [ 0.0000376100000000, 0.0046060200000000, -0.0002995700000000 ] - [ -0.0000881100000000, -0.0071746400000000, -0.0000443600000000 ] - [ 0.0001377300000000, 0.0032730100000000, -0.0000213000000000 ] - [ 0.0006147900000000, 0.0017684100000000, 0.0006091300000000 ] - [ -0.0002412000000000, 0.0017718500000000, -0.0006142700000000 ] - [ -0.0000000300000000, 0.0003038600000000, -0.0000001100000000 ] - [ 0.0000276100000000, -0.0002885000000000, 0.0000786500000000 ] - [ -0.0013014100000000, -0.4370176400000000, 0.0024851500000000 ] - [ 0.0000083100000000, 0.0044884900000000, 0.0002429400000000 ] - [ 0.0011620400000000, 0.0019078800000000, 0.0003421800000000 ] - [ -0.0012075500000000, 0.0019863100000000, 0.0004805700000000 ] - [ -0.0017849800000000, 0.0067687100000000, 0.0033263900000000 ] - [ 0.0012986300000000, 0.0067722700000000, -0.0035555300000000 ] - [ -0.0005935100000000, -0.0053788000000000, -0.0001605400000000 ] - [ -0.0000981200000000, 0.0040099300000000, -0.0000821000000000 ] - [ 0.0000704300000000, -0.0122035300000000, -0.0000139300000000 ] - [ 0.0001003500000000, 0.0039866800000000, 0.0000837100000000 ] - [ 0.0034226000000000, 0.0071606000000000, -0.0002217000000000 ] - [ -0.0032749700000000, 0.0069149600000000, -0.0004072400000000 ] - [ -0.0013770500000000, 0.0011259200000000, -0.0016700400000000 ] - [ 0.0013332300000000, 0.0012347100000000, 0.0008929700000000 ] - [ -0.0001492000000000, -0.0181470100000000, -0.0000737200000000 ] - [ -0.0000075400000000, 0.0041977100000000, -0.0002445400000000 ] - [ -0.0004745700000000, 0.0042683300000000, -0.0005716600000000 ] - [ 0.0039434800000000, -0.0042465100000000, 0.0066751400000000 ] - [ 0.0000260200000000, 0.0353908300000000, -0.0007113400000000 ] - [ -0.0001303000000000, -0.0011730600000000, -0.0000325000000000 ] - [ -0.0005928700000000, -0.0033524600000000, 0.0000147900000000 ] - [ 0.0011029400000000, -0.0038773700000000, -0.0001410600000000 ] - [ 0.0033745300000000, -0.0046140000000000, 0.0048362100000000 ] - [ -0.0010528700000000, -0.0030548100000000, -0.0005004900000000 ] - [ 0.0012559400000000, -0.0032806700000000, 0.0006011700000000 ] - [ -0.0034061400000000, -0.0032805200000000, -0.0055068000000000 ] - [ 0.0009013900000000, -0.0025675900000000, -0.0001747800000000 ] - [ -0.0048359500000000, 0.0048258800000000, -0.0023611600000000 ] - [ 0.0052450900000000, 0.0050731300000000, 0.0026927900000000 ] - [ -0.0008944200000000, -0.0025097700000000, 0.0000018000000000 ] - [ -0.0005022100000000, -0.0031069900000000, 0.0008703600000000 ] - [ 0.0750346400000000, 0.1676796800000000, -0.0535719600000000 ] - [ -0.0715473000000000, 0.1653769000000000, 0.0539976600000000 ] - [ 0.0004403400000000, -0.0029293900000000, -0.0006763200000000 ] - [ 0.0000011500000000, -0.0007517400000000, -0.0000931300000000 ] - [ 0.0001294100000000, -0.0007389100000000, -0.0001429300000000 ] - [ -0.0000067000000000, -0.0012828200000000, -0.0003178400000000 ] - [ 0.0002682400000000, 0.0024383600000000, -0.0005077600000000 ] - [ -0.0001572300000000, -0.0038292100000000, 0.0004191500000000 ] - [ -0.0039225400000000, -0.0094949400000000, 0.0061155100000000 ] - [ 0.0038523300000000, -0.0089543900000000, -0.0059832000000000 ] - [ 0.0002402900000000, -0.0036576000000000, -0.0003426000000000 ] - [ -0.0003997900000000, -0.0020577800000000, -0.0005249100000000 ] - [ -0.0013012100000000, -0.0000211100000000, 0.0002845300000000 ] - [ 0.0012326500000000, 0.0001940800000000, -0.0003954000000000 ] - [ 0.0003710700000000, -0.0019450200000000, 0.0004508400000000 ] - [ -0.0001933500000000, -0.0026108900000000, -0.0007258800000000 ] - [ -0.0035131000000000, 0.0048234300000000, 0.0036875800000000 ] - [ 0.0032789000000000, 0.0047922800000000, -0.0035708700000000 ] - [ 0.0002254800000000, -0.0026833600000000, 0.0006532600000000 ] - [ -0.0023522000000000, -0.0012226500000000, 0.0003120400000000 ] - [ 0.0017976600000000, -0.0011842200000000, -0.0004268200000000 ] - [ 0.0000178600000000, -0.0014943600000000, -0.0001002100000000 ] - [ 0.0000169900000000, 0.0076202400000000, 0.0000726400000000 ] - [ -0.0000190800000000, -0.0015398000000000, 0.0000997400000000 ] - [ -0.0027484700000000, 0.0292373800000000, -0.0013941200000000 ] - [ 0.0021777100000000, -0.0012147000000000, -0.0006024500000000 ] - [ -0.0015857300000000, -0.0012052900000000, 0.0008242900000000 ] - [ 0.0001994500000000, -0.0026165500000000, 0.0006927200000000 ] - [ -0.0018723500000000, 0.0049023300000000, -0.0022313100000000 ] - [ 0.0021866900000000, 0.0053598800000000, 0.0024119600000000 ] - [ -0.0002296200000000, -0.0026938500000000, -0.0006230900000000 ] - [ 0.0004697100000000, -0.0019170100000000, 0.0006460600000000 ] - [ 0.0001165400000000, 0.0007041300000000, -0.0002554400000000 ] - [ -0.0000111600000000, 0.0008953600000000, 0.0002938100000000 ] - [ -0.0004287900000000, -0.0018176700000000, -0.0005821000000000 ] - [ 0.0000555200000000, -0.0037953100000000, -0.0012152900000000 ] - [ 0.0044365900000000, -0.0051256100000000, 0.0030697200000000 ] - [ -0.0047773200000000, -0.0055121400000000, -0.0030730100000000 ] - [ -0.0000831000000000, -0.0035709800000000, 0.0012429200000000 ] - [ 0.0000040200000000, -0.0012728700000000, 0.0003187900000000 ] - [ -0.0000032000000000, 0.0022255700000000, 0.0005340200000000 ] - [ -0.0001788800000000, -0.0011437600000000, 0.0018299700000000 ] - [ 0.0000327900000000, -0.0011246000000000, -0.0015390800000000 ] - [ -0.0019865400000000, 0.0081131100000000, -0.0105203900000000 ] - [ -0.0004228100000000, -0.0027709000000000, 0.0007622200000000 ] - [ 0.0004903000000000, -0.0029448100000000, -0.0009516000000000 ] - [ 0.0018929400000000, 0.0077862500000000, 0.0098141400000000 ] - [ -0.0006816000000000, -0.0024873500000000, 0.0003578200000000 ] - [ 0.0018248300000000, 0.0043518500000000, -0.0018750000000000 ] - [ -0.0014549400000000, 0.0041515300000000, 0.0014535600000000 ] - [ 0.0007208300000000, -0.0024269300000000, -0.0001295300000000 ] - [ -0.0007212700000000, -0.0020429700000000, -0.0001477100000000 ] - [ -0.0004411200000000, 0.0003001000000000, -0.0006122200000000 ] - [ 0.0001001500000000, 0.0003192600000000, 0.0003489600000000 ] - [ 0.0005076300000000, -0.0019578200000000, 0.0001906300000000 ] - [ -0.0007254900000000, -0.0016206200000000, -0.0015314400000000 ] - [ 0.0004338200000000, -0.0015226300000000, 0.0018326700000000 ] - [ 0.0002554700000000, 0.0034137000000000, 0.0000235700000000 ] - [ 0.0001305300000000, -0.0011019500000000, 0.0000319400000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003640300000000, -0.0026699000000000, 0.0000807100000000 ] - [ -0.0171205400000000, -0.0072374000000000, -0.0000938900000000 ] - [ 0.0173718400000000, -0.0071319500000000, 0.0002209300000000 ] - [ -0.0004408100000000, -0.0027582500000000, -0.0000287100000000 ] - [ -0.0002137600000000, -0.0024287100000000, -0.0003288300000000 ] - [ 0.0024968400000000, 0.0022356600000000, 0.0008839200000000 ] - [ -0.0026200200000000, 0.0022956600000000, -0.0011326000000000 ] - [ 0.0002852000000000, -0.0025389900000000, 0.0002834500000000 ] - [ -0.0001993900000000, -0.0061800500000000, 0.0026231000000000 ] - [ -0.0006204900000000, -0.0058891800000000, -0.0027151700000000 ] - [ 0.0032766600000000, 0.0032452300000000, 0.0054096900000000 ] - [ -0.0003284100000000, -0.0033212000000000, -0.0003977300000000 ] - [ -0.0000700300000000, 0.0092881400000000, 0.0000030400000000 ] - [ -0.0000408400000000, -0.0032329500000000, -0.0000398700000000 ] - [ -0.0000142300000000, -0.0037243300000000, -0.0000837800000000 ] - [ -0.0014170100000000, 0.0025881300000000, 0.0005281100000000 ] - [ 0.0014524400000000, 0.0026684700000000, -0.0005056200000000 ] - [ 0.0000132200000000, -0.0037325500000000, 0.0000748600000000 ] - [ 0.0000416100000000, -0.0046235200000000, -0.0003132300000000 ] - [ 0.0056380000000000, -0.0216951800000000, 0.0321550900000000 ] - [ -0.0053795000000000, -0.0224154800000000, -0.0324215500000000 ] - [ -0.0000318900000000, -0.0048381400000000, 0.0002957200000000 ] - [ 0.0002733400000000, 0.0071837200000000, 0.0000412000000000 ] - [ 0.0000387400000000, -0.0032620200000000, 0.0000355600000000 ] - [ -0.0002443400000000, -0.0017241100000000, -0.0005323600000000 ] - [ 0.0006116000000000, -0.0017377800000000, 0.0006899000000000 ] - [ -0.0000004600000000, -0.0003539300000000, 0.0000010300000000 ] - [ 0.0000165400000000, 0.0002363700000000, -0.0001227000000000 ] - [ -0.0115358500000000, 0.4372821000000000, 0.0074682100000000 ] - [ 0.0000432100000000, -0.0044773000000000, 0.0001762200000000 ] - [ -0.0011326000000000, -0.0019062100000000, 0.0003738100000000 ] - [ 0.0012367800000000, -0.0020067900000000, 0.0002363700000000 ] - [ 0.0013231400000000, -0.0065021700000000, -0.0031710300000000 ] - [ -0.0017591000000000, -0.0065255900000000, 0.0037106000000000 ] - [ 0.0003938900000000, 0.0054157400000000, -0.0000067000000000 ] - [ -0.0000935200000000, -0.0039714400000000, -0.0001067700000000 ] - [ 0.0001187400000000, 0.0122417500000000, 0.0002055800000000 ] - [ 0.0000916800000000, -0.0039485900000000, 0.0001059000000000 ] - [ -0.0029785500000000, -0.0069284500000000, 0.0000627500000000 ] - [ 0.0037151900000000, -0.0066376800000000, 0.0002428600000000 ] - [ 0.0013344900000000, -0.0011239100000000, 0.0009643100000000 ] - [ -0.0013764600000000, -0.0012546800000000, -0.0015989600000000 ] - [ 0.0001102900000000, 0.0181581300000000, -0.0003226800000000 ] - [ -0.0000441800000000, -0.0041862800000000, -0.0001753000000000 ] - [ 0.0004782400000000, -0.0042063700000000, 0.0005757700000000 ] - [ -0.0039203400000000, 0.0042640800000000, -0.0066469300000000 ] - [ -0.0001629100000000, -0.0353142000000000, -0.0005940200000000 ] - [ -0.0001513300000000, 0.0012477400000000, 0.0000053400000000 ] - [ 0.0008759700000000, 0.0033554000000000, -0.0001210900000000 ] - [ -0.0008182300000000, 0.0038427200000000, 0.0000375800000000 ] - [ -0.0033810700000000, 0.0047174300000000, -0.0050089300000000 ] - [ 0.0010772000000000, 0.0031374300000000, 0.0003430000000000 ] - [ -0.0009980400000000, 0.0032167900000000, -0.0006489300000000 ] - [ 0.0036326500000000, 0.0032037400000000, 0.0054397100000000 ] - [ -0.0011169500000000, 0.0025811400000000, 0.0001557100000000 ] - [ 0.0046091200000000, -0.0047902600000000, 0.0023452000000000 ] - [ -0.0054075200000000, -0.0051337500000000, -0.0026884400000000 ] - [ 0.0007414600000000, 0.0024722100000000, -0.0000001600000000 ] - [ 0.0004246600000000, 0.0029336000000000, -0.0006807000000000 ] - [ -0.0697642900000000, -0.1600961200000000, 0.0496725300000000 ] - [ 0.0769403700000000, -0.1731166800000000, -0.0580941600000000 ] - [ -0.0004866700000000, 0.0031299000000000, 0.0009109200000000 ] - [ 0.0000944900000000, 0.0006517500000000, -0.0001406000000000 ] - [ -0.0000331000000000, 0.0006447600000000, -0.0000909100000000 ] - [ -0.0000229800000000, 0.0013148400000000, -0.0003145000000000 ] - [ -0.0003586500000000, -0.0024047100000000, -0.0001086100000000 ] - [ 0.0001957100000000, 0.0034435900000000, -0.0003518400000000 ] - [ 0.0039668700000000, 0.0091758300000000, -0.0060710200000000 ] - [ -0.0038134600000000, 0.0090254300000000, 0.0059543300000000 ] - [ -0.0002076100000000, 0.0037947300000000, 0.0003367100000000 ] - [ 0.0003772000000000, 0.0019790400000000, 0.0005604200000000 ] - [ 0.0012791200000000, -0.0000412200000000, -0.0002426700000000 ] - [ -0.0012849300000000, -0.0000157900000000, 0.0002565700000000 ] - [ -0.0004238500000000, 0.0021409900000000, -0.0005964800000000 ] - [ 0.0002763800000000, 0.0026346900000000, 0.0006781800000000 ] - [ 0.0036019500000000, -0.0047869600000000, -0.0037349000000000 ] - [ -0.0033490200000000, -0.0048616000000000, 0.0034830300000000 ] - [ -0.0003017900000000, 0.0026273400000000, -0.0007419100000000 ] - [ 0.0017485700000000, 0.0011924200000000, -0.0004532300000000 ] - [ -0.0024000700000000, 0.0011544000000000, 0.0002856200000000 ] - [ 0.0000236200000000, 0.0014665200000000, -0.0000924600000000 ] - [ 0.0000195700000000, -0.0076468100000000, -0.0002694400000000 ] - [ -0.0000229600000000, 0.0015123200000000, 0.0000937800000000 ] - [ 0.0044313800000000, -0.0293341200000000, 0.0023022900000000 ] - [ -0.0015554700000000, 0.0011798700000000, 0.0007381700000000 ] - [ 0.0022069400000000, 0.0011806200000000, -0.0006883600000000 ] - [ -0.0002819000000000, 0.0026406300000000, -0.0006440000000000 ] - [ 0.0017663000000000, -0.0048396500000000, 0.0022602400000000 ] - [ -0.0021310400000000, -0.0054568100000000, -0.0023439200000000 ] - [ 0.0003088200000000, 0.0026370600000000, 0.0007106800000000 ] - [ -0.0004422700000000, 0.0018377100000000, -0.0006838900000000 ] - [ -0.0000893400000000, -0.0007654100000000, 0.0002115300000000 ] - [ 0.0000648100000000, -0.0007173300000000, -0.0001531900000000 ] - [ 0.0004833000000000, 0.0020145200000000, 0.0007286200000000 ] - [ -0.0000974400000000, 0.0034254900000000, 0.0011573600000000 ] - [ -0.0044712000000000, 0.0047401300000000, -0.0031098600000000 ] - [ 0.0047503100000000, 0.0056546300000000, 0.0031050900000000 ] - [ 0.0000492100000000, 0.0036919900000000, -0.0012281100000000 ] - [ 0.0000262800000000, 0.0013042600000000, 0.0003133800000000 ] - [ 0.0000362600000000, -0.0021927700000000, 0.0001334000000000 ] - [ 0.0000852300000000, 0.0010471200000000, -0.0016095700000000 ] - [ -0.0001269500000000, 0.0010266800000000, 0.0017582100000000 ] - [ 0.0020268800000000, -0.0079336100000000, 0.0102919600000000 ] - [ 0.0004681300000000, 0.0029713500000000, -0.0009957900000000 ] - [ -0.0004146700000000, 0.0027711700000000, 0.0007654000000000 ] - [ -0.0018222100000000, -0.0079389000000000, -0.0099970400000000 ] - [ 0.0008946100000000, 0.0025002400000000, -0.0003401300000000 ] - [ -0.0015988000000000, -0.0043139600000000, 0.0018949800000000 ] - [ 0.0016200300000000, -0.0042113200000000, -0.0014505300000000 ] - [ -0.0005681300000000, 0.0023899000000000, 0.0001269400000000 ] - [ 0.0004577800000000, 0.0019700500000000, 0.0001911500000000 ] - [ 0.0001794900000000, -0.0003598500000000, 0.0006541700000000 ] - [ -0.0001288400000000, -0.0002418600000000, -0.0001956800000000 ] - [ -0.0005379700000000, 0.0020478300000000, -0.0000350400000000 ] - [ 0.0004406000000000, 0.0016028500000000, 0.0016376100000000 ] - [ -0.0007187300000000, 0.0015136300000000, -0.0017267300000000 ] - [ 0.0000145900000000, -0.0033390300000000, 0.0000084500000000 ] - [ 0.0001511500000000, 0.0011762000000000, -0.0000057500000000 ]- atom: 29 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0002647900000000, 0.0001592900000000, -0.0001515400000000 ] - [ -0.0110590100000000, -0.0065920200000000, -0.0018083000000000 ] - [ -0.0111270900000000, 0.0065026800000000, -0.0018154300000000 ] - [ -0.0002573400000000, -0.0001264800000000, -0.0002027300000000 ] - [ 0.0002948700000000, 0.0000071000000000, 0.0001417700000000 ] - [ 0.0041012600000000, 0.0016867700000000, 0.0026796500000000 ] - [ 0.0042513200000000, -0.0020111700000000, 0.0028673600000000 ] - [ 0.0002715400000000, 0.0000257400000000, 0.0002008100000000 ] - [ 0.0006949200000000, -0.0001080600000000, -0.0020127000000000 ] - [ 0.0004100600000000, 0.0003351500000000, -0.0021069600000000 ] - [ 0.0042782700000000, -0.0053084300000000, -0.0047159100000000 ] - [ -0.0000067200000000, 0.0003078500000000, -0.0001316900000000 ] - [ -0.0054309100000000, -0.0002792100000000, -0.0003667800000000 ] - [ -0.0000470000000000, 0.0000277700000000, 0.0000173200000000 ] - [ -0.0000953900000000, -0.0003307200000000, 0.0001385300000000 ] - [ -0.0024782300000000, 0.0014079500000000, 0.0010628000000000 ] - [ -0.0024597900000000, -0.0016778800000000, 0.0009994000000000 ] - [ -0.0000986100000000, 0.0000948700000000, 0.0001344000000000 ] - [ 0.0001314300000000, 0.0005583700000000, 0.0000205700000000 ] - [ 0.0050038500000000, -0.0192259400000000, 0.0181516600000000 ] - [ 0.0047006700000000, 0.0193187400000000, 0.0182971600000000 ] - [ 0.0001525900000000, -0.0005355100000000, 0.0000185900000000 ] - [ 0.0177693600000000, 0.0007418500000000, 0.0350905100000000 ] - [ 0.0000224400000000, 0.0000275400000000, -0.0000428900000000 ] - [ 0.0005345700000000, -0.0006353400000000, 0.0007875900000000 ] - [ 0.0007154100000000, 0.0008418200000000, 0.0008981200000000 ] - [ -0.0000027800000000, -0.0000254400000000, -0.0000020700000000 ] - [ -0.0179231800000000, 0.0003724900000000, 0.0107237000000000 ] - [ 0.2152950900000000, -0.0045856600000000, -0.3914737000000000 ] - [ 0.0001425800000000, 0.0000336400000000, 0.0000508500000000 ] - [ -0.0000143400000000, -0.0006305700000000, -0.0001291400000000 ] - [ -0.0000386000000000, 0.0006252400000000, -0.0002261100000000 ] - [ -0.0017167300000000, 0.0034358900000000, 0.0028898200000000 ] - [ -0.0016842400000000, -0.0031220800000000, 0.0031502400000000 ] - [ -0.0074998900000000, -0.0000951400000000, -0.0051816200000000 ] - [ 0.0000274000000000, 0.0000447000000000, -0.0000721900000000 ] - [ -0.0137938400000000, -0.0002845000000000, 0.0139335500000000 ] - [ -0.0000447700000000, 0.0000416400000000, 0.0001382500000000 ] - [ 0.0019239700000000, 0.0022548300000000, -0.0020671100000000 ] - [ 0.0019819100000000, -0.0017474600000000, -0.0019725000000000 ] - [ -0.0010744000000000, -0.0018633000000000, 0.0005011000000000 ] - [ -0.0010895600000000, 0.0018404500000000, 0.0006022100000000 ] - [ -0.0024081200000000, -0.0001748900000000, 0.0164646800000000 ] - [ -0.0000852300000000, 0.0000353200000000, -0.0000664500000000 ] - [ -0.0000331400000000, -0.0000180200000000, -0.0001843100000000 ] - [ 0.0053634700000000, 0.0070258400000000, -0.0064957800000000 ] - [ -0.0388877900000000, -0.0000646700000000, 0.2000473700000000 ] - [ -0.0001502300000000, 0.0000285400000000, 0.0000916400000000 ] - [ -0.0002564200000000, -0.0005291300000000, 0.0011155300000000 ] - [ -0.0004253600000000, 0.0006762300000000, 0.0013240500000000 ] - [ 0.0006149300000000, -0.0010977300000000, 0.0049630800000000 ] - [ 0.0000273600000000, 0.0000420900000000, 0.0002424900000000 ] - [ 0.0001365300000000, -0.0001583300000000, 0.0002314000000000 ] - [ 0.0008301000000000, 0.0002953800000000, 0.0052477500000000 ] - [ -0.0000795900000000, 0.0000146400000000, 0.0000278300000000 ] - [ 0.0011099800000000, -0.0008012600000000, 0.0033251000000000 ] - [ 0.0020064700000000, 0.0009187200000000, 0.0036573200000000 ] - [ -0.0000590300000000, -0.0000674100000000, 0.0000365000000000 ] - [ -0.0000544700000000, -0.0002488100000000, 0.0002311500000000 ] - [ -0.0630955700000000, -0.0803826900000000, 0.0622021700000000 ] - [ -0.0650564700000000, 0.0851805900000000, 0.0651156000000000 ] - [ -0.0000259000000000, 0.0002184000000000, 0.0002477900000000 ] - [ 0.0001987000000000, 0.0003547300000000, 0.0000155500000000 ] - [ 0.0001458600000000, -0.0005028200000000, 0.0000574700000000 ] - [ -0.0000472500000000, 0.0000095100000000, -0.0003114000000000 ] - [ 0.0027502900000000, 0.0000541500000000, 0.0040190500000000 ] - [ 0.0000838900000000, -0.0011529900000000, -0.0000384600000000 ] - [ 0.0029441200000000, 0.0053070000000000, -0.0039269000000000 ] - [ 0.0028723900000000, -0.0052450500000000, -0.0038167400000000 ] - [ 0.0000665600000000, 0.0010310300000000, -0.0001120800000000 ] - [ 0.0001025300000000, 0.0001203200000000, 0.0001033400000000 ] - [ 0.0010668400000000, -0.0003429500000000, 0.0001171100000000 ] - [ 0.0009851700000000, 0.0004472400000000, -0.0000548700000000 ] - [ 0.0000963300000000, -0.0000910100000000, 0.0000399700000000 ] - [ 0.0001631300000000, 0.0000153500000000, -0.0000397400000000 ] - [ 0.0051544700000000, -0.0005556300000000, -0.0039385800000000 ] - [ 0.0048088100000000, 0.0006446400000000, -0.0037624400000000 ] - [ 0.0000905400000000, -0.0000662900000000, -0.0000509300000000 ] - [ -0.0012190300000000, 0.0000685500000000, 0.0005069800000000 ] - [ -0.0011989700000000, -0.0001514600000000, 0.0004957100000000 ] - [ 0.0001045700000000, -0.0000248900000000, -0.0001187300000000 ] - [ 0.0060537400000000, -0.0000259200000000, -0.0074774100000000 ] - [ -0.0001360900000000, -0.0000250300000000, 0.0000994500000000 ] - [ -0.0270821100000000, 0.0001224400000000, 0.0146941000000000 ] - [ 0.0021284100000000, -0.0001341900000000, -0.0009224500000000 ] - [ 0.0021654100000000, 0.0000947400000000, -0.0009923500000000 ] - [ -0.0001383900000000, 0.0000596600000000, -0.0000227900000000 ] - [ 0.0011770100000000, -0.0024758900000000, 0.0008655800000000 ] - [ 0.0012466600000000, 0.0024782800000000, 0.0008016300000000 ] - [ -0.0000584000000000, -0.0001087100000000, -0.0000113500000000 ] - [ 0.0000327600000000, 0.0004770800000000, -0.0002927200000000 ] - [ 0.0003972500000000, -0.0015712400000000, -0.0006631200000000 ] - [ 0.0004587000000000, 0.0016656500000000, -0.0005582700000000 ] - [ 0.0000494500000000, -0.0004415700000000, -0.0002257700000000 ] - [ -0.0001500500000000, -0.0008398700000000, -0.0000284500000000 ] - [ -0.0036865000000000, 0.0030117700000000, -0.0010580600000000 ] - [ -0.0039443700000000, -0.0034891500000000, -0.0010601400000000 ] - [ -0.0001607000000000, 0.0006354300000000, 0.0000239000000000 ] - [ 0.0000768700000000, 0.0000123100000000, 0.0002819100000000 ] - [ 0.0041772300000000, -0.0001015200000000, -0.0158126100000000 ] - [ -0.0003791200000000, 0.0008910400000000, 0.0003101300000000 ] - [ -0.0003027800000000, -0.0010574700000000, 0.0002194400000000 ] - [ -0.0029731400000000, 0.0006582500000000, -0.0078007300000000 ] - [ -0.0000344200000000, 0.0001840900000000, -0.0002458900000000 ] - [ -0.0000005100000000, -0.0002173100000000, -0.0002278900000000 ] - [ -0.0029325000000000, -0.0004882000000000, -0.0073811900000000 ] - [ 0.0000921000000000, 0.0000423800000000, 0.0000513900000000 ] - [ -0.0092589300000000, -0.0072868600000000, -0.0038194500000000 ] - [ -0.0090274100000000, 0.0061818300000000, -0.0055459900000000 ] - [ 0.0000679800000000, -0.0001069200000000, 0.0000215000000000 ] - [ -0.0001844200000000, 0.0001568800000000, -0.0000460200000000 ] - [ -0.0021316600000000, -0.0022023200000000, -0.0001770900000000 ] - [ -0.0016620500000000, 0.0017294000000000, -0.0002711200000000 ] - [ -0.0001078200000000, -0.0002165500000000, -0.0000681800000000 ] - [ -0.0005488200000000, -0.0004278900000000, -0.0013500900000000 ] - [ -0.0005676900000000, 0.0004063700000000, -0.0015274100000000 ] - [ 0.0040595300000000, 0.0000617300000000, -0.0057416400000000 ] - [ 0.0001480000000000, 0.0000276000000000, -0.0000666700000000 ]- atom: 29 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0002404800000000, -0.0001086100000000, 0.0002629900000000 ] - [ 0.0110233500000000, 0.0066742000000000, 0.0019415200000000 ] - [ 0.0110880200000000, -0.0065885800000000, 0.0018736800000000 ] - [ 0.0002321300000000, 0.0000708200000000, 0.0002383200000000 ] - [ -0.0002607800000000, 0.0000401500000000, -0.0002657600000000 ] - [ -0.0040837400000000, -0.0016291200000000, -0.0027820700000000 ] - [ -0.0042502900000000, 0.0019460000000000, -0.0028630800000000 ] - [ -0.0002542300000000, -0.0000782500000000, -0.0002190600000000 ] - [ -0.0010627100000000, 0.0001541800000000, 0.0019297800000000 ] - [ -0.0007778200000000, -0.0002995600000000, 0.0020239100000000 ] - [ -0.0042851100000000, 0.0056288700000000, 0.0046859000000000 ] - [ 0.0000054800000000, 0.0000193500000000, 0.0001306600000000 ] - [ 0.0052291300000000, 0.0002914800000000, 0.0003206100000000 ] - [ -0.0001288400000000, -0.0000156300000000, -0.0000307400000000 ] - [ 0.0000959500000000, 0.0000629000000000, -0.0001378600000000 ] - [ 0.0025061500000000, -0.0016726800000000, -0.0010580600000000 ] - [ 0.0024884000000000, 0.0013604900000000, -0.0009936000000000 ] - [ 0.0000986600000000, -0.0004080900000000, -0.0001341500000000 ] - [ -0.0001334900000000, -0.0003573400000000, -0.0000195800000000 ] - [ -0.0050640100000000, 0.0195911000000000, -0.0181002300000000 ] - [ -0.0047574400000000, -0.0197196600000000, -0.0182435100000000 ] - [ -0.0001545500000000, 0.0003003700000000, -0.0000171800000000 ] - [ -0.0175700900000000, -0.0007296200000000, -0.0348848300000000 ] - [ 0.0001539000000000, -0.0000160300000000, 0.0000561300000000 ] - [ -0.0001673100000000, 0.0006672900000000, -0.0007139500000000 ] - [ -0.0003485800000000, -0.0007933400000000, -0.0008242900000000 ] - [ 0.0000022100000000, -0.0000245500000000, 0.0000028100000000 ] - [ 0.0178408700000000, -0.0004207900000000, -0.0106532100000000 ] - [ -0.2181954900000000, 0.0048162900000000, 0.3786669700000000 ] - [ -0.0000915100000000, -0.0000231600000000, 0.0003681200000000 ] - [ 0.0000600500000000, 0.0006211200000000, 0.0008432300000000 ] - [ 0.0000845100000000, -0.0006325000000000, 0.0009403900000000 ] - [ 0.0012553700000000, -0.0031804100000000, -0.0027334400000000 ] - [ 0.0012235800000000, 0.0033796900000000, -0.0029929500000000 ] - [ 0.0074072100000000, 0.0001295200000000, 0.0049652200000000 ] - [ -0.0002172500000000, -0.0000064900000000, -0.0001147800000000 ] - [ 0.0140845500000000, 0.0003215800000000, -0.0137192400000000 ] - [ 0.0002361100000000, -0.0000041200000000, 0.0000491700000000 ] - [ -0.0014565800000000, -0.0019867300000000, 0.0019130200000000 ] - [ -0.0015145600000000, 0.0019927200000000, 0.0018185800000000 ] - [ 0.0010322200000000, 0.0018506000000000, -0.0012191900000000 ] - [ 0.0010475800000000, -0.0018442400000000, -0.0013202900000000 ] - [ 0.0023093400000000, 0.0001863400000000, -0.0169641000000000 ] - [ 0.0000333800000000, -0.0000243800000000, -0.0003536600000000 ] - [ 0.0000321900000000, 0.0000822300000000, 0.0001826800000000 ] - [ -0.0053666600000000, -0.0069517900000000, 0.0064576700000000 ] - [ 0.0373152000000000, 0.0001353900000000, -0.1867236000000000 ] - [ -0.0001273500000000, 0.0000456200000000, -0.0001219700000000 ] - [ 0.0005342200000000, 0.0005104000000000, -0.0012214500000000 ] - [ 0.0007030400000000, -0.0006822500000000, -0.0014275100000000 ] - [ -0.0005827800000000, 0.0011768500000000, -0.0051063900000000 ] - [ -0.0000003200000000, 0.0000442000000000, -0.0004006200000000 ] - [ 0.0001248300000000, 0.0000888500000000, -0.0002764800000000 ] - [ -0.0005634300000000, -0.0003602600000000, -0.0052749100000000 ] - [ -0.0001335100000000, -0.0000015800000000, -0.0000468300000000 ] - [ -0.0013086000000000, 0.0008122200000000, -0.0033330300000000 ] - [ -0.0021390900000000, -0.0009533200000000, -0.0036506400000000 ] - [ -0.0000913700000000, 0.0000298700000000, -0.0000383700000000 ] - [ -0.0000198600000000, 0.0000766700000000, -0.0000404700000000 ] - [ 0.0644339100000000, 0.0835500800000000, -0.0624682600000000 ] - [ 0.0664800800000000, -0.0885169100000000, -0.0654039000000000 ] - [ -0.0000182900000000, -0.0000191500000000, -0.0000126100000000 ] - [ -0.0001011900000000, -0.0004492700000000, -0.0002445000000000 ] - [ -0.0000478000000000, 0.0004040500000000, -0.0002866300000000 ] - [ 0.0000153000000000, 0.0000224800000000, -0.0003197200000000 ] - [ -0.0028182400000000, -0.0000206700000000, -0.0045917600000000 ] - [ -0.0000402600000000, 0.0007771800000000, 0.0001012000000000 ] - [ -0.0028849900000000, -0.0056682700000000, 0.0039559500000000 ] - [ -0.0028202300000000, 0.0053608300000000, 0.0037740600000000 ] - [ -0.0000286500000000, -0.0009035400000000, 0.0001018900000000 ] - [ -0.0001273600000000, -0.0001949400000000, -0.0000665000000000 ] - [ -0.0010941100000000, 0.0002641600000000, -0.0000824600000000 ] - [ -0.0010419400000000, -0.0002520900000000, -0.0000923600000000 ] - [ -0.0001504800000000, 0.0002824700000000, -0.0001845600000000 ] - [ -0.0000820200000000, 0.0000105800000000, -0.0000058400000000 ] - [ -0.0051035000000000, 0.0005598800000000, 0.0038827200000000 ] - [ -0.0049183500000000, -0.0006818800000000, 0.0036654100000000 ] - [ -0.0001678900000000, 0.0000075900000000, -0.0000368700000000 ] - [ 0.0005966700000000, -0.0000994400000000, -0.0006434800000000 ] - [ 0.0005768800000000, 0.0001229500000000, -0.0006320700000000 ] - [ -0.0000622500000000, -0.0000037600000000, -0.0000734600000000 ] - [ -0.0060495700000000, -0.0000022700000000, 0.0073225800000000 ] - [ 0.0000930800000000, -0.0000033300000000, 0.0000936600000000 ] - [ 0.0286598000000000, -0.0001705000000000, -0.0139072600000000 ] - [ -0.0015087000000000, 0.0001055400000000, 0.0010581400000000 ] - [ -0.0015463000000000, -0.0001240600000000, 0.0011274800000000 ] - [ 0.0000561900000000, -0.0000339600000000, 0.0000689400000000 ] - [ -0.0013148300000000, 0.0025351500000000, -0.0008526500000000 ] - [ -0.0012240100000000, -0.0025726600000000, -0.0007487400000000 ] - [ 0.0001375600000000, 0.0000494400000000, 0.0000969200000000 ] - [ -0.0000075200000000, -0.0005508900000000, 0.0002539400000000 ] - [ -0.0003742200000000, 0.0014969800000000, 0.0006190100000000 ] - [ -0.0004095200000000, -0.0014736600000000, 0.0006991200000000 ] - [ 0.0000020300000000, 0.0006329800000000, 0.0003715300000000 ] - [ 0.0001069400000000, 0.0004604300000000, -0.0000361600000000 ] - [ 0.0036386400000000, -0.0033804800000000, 0.0009745900000000 ] - [ 0.0039022400000000, 0.0036098300000000, 0.0010473300000000 ] - [ 0.0001251000000000, -0.0005046200000000, -0.0000167600000000 ] - [ -0.0000451600000000, 0.0000189600000000, 0.0003495200000000 ] - [ -0.0041940400000000, 0.0001340800000000, 0.0164730400000000 ] - [ 0.0002796600000000, -0.0009860100000000, -0.0000748800000000 ] - [ 0.0002035500000000, 0.0009586400000000, 0.0000148300000000 ] - [ 0.0030488000000000, -0.0004228000000000, 0.0075643100000000 ] - [ 0.0000791900000000, 0.0000148900000000, 0.0000090100000000 ] - [ 0.0000753400000000, 0.0000448200000000, 0.0000381400000000 ] - [ 0.0030377600000000, 0.0002804500000000, 0.0071896000000000 ] - [ 0.0001203700000000, -0.0000292800000000, -0.0000317700000000 ] - [ 0.0094538900000000, 0.0072832800000000, 0.0038336700000000 ] - [ 0.0091678300000000, -0.0062064900000000, 0.0055410100000000 ] - [ 0.0000839900000000, 0.0000688100000000, -0.0000196400000000 ] - [ -0.0000756900000000, -0.0002234400000000, 0.0000909200000000 ] - [ 0.0018725200000000, 0.0021223500000000, 0.0002301300000000 ] - [ 0.0016381100000000, -0.0016315700000000, 0.0004362700000000 ] - [ 0.0000822000000000, 0.0002998700000000, 0.0002268300000000 ] - [ 0.0002671900000000, 0.0004167800000000, 0.0014523600000000 ] - [ 0.0002858700000000, -0.0004222200000000, 0.0016282800000000 ] - [ -0.0037741600000000, 0.0000121200000000, 0.0057933000000000 ] - [ 0.0001298400000000, 0.0000462300000000, 0.0000969700000000 ]- atom: 31 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0109243200000000, 0.0087388300000000, 0.0014068600000000 ] - [ 0.0002875600000000, -0.0001680300000000, 0.0000607400000000 ] - [ 0.0104367400000000, -0.0086287600000000, 0.0014768200000000 ] - [ 0.0003048400000000, 0.0001302000000000, 0.0000059000000000 ] - [ -0.0021968800000000, -0.0033900600000000, -0.0049391000000000 ] - [ -0.0001248700000000, 0.0001099300000000, -0.0002013400000000 ] - [ -0.0022237100000000, 0.0032854600000000, -0.0046509900000000 ] - [ -0.0001364800000000, -0.0001397200000000, -0.0001399500000000 ] - [ 0.0135854000000000, 0.0009347000000000, 0.0054607200000000 ] - [ -0.0000742000000000, -0.0000108100000000, 0.0000130100000000 ] - [ 0.0009561800000000, -0.0012057200000000, -0.0047135700000000 ] - [ 0.0001698200000000, 0.0003489300000000, -0.0001810800000000 ] - [ -0.0019497800000000, -0.0018706800000000, -0.0008563900000000 ] - [ -0.0018897400000000, 0.0019128900000000, -0.0007913600000000 ] - [ -0.0145134200000000, 0.0022331100000000, 0.0091072000000000 ] - [ -0.0004725300000000, -0.0002865100000000, 0.0000047500000000 ] - [ -0.0137440400000000, -0.0027703000000000, 0.0090399000000000 ] - [ -0.0005055900000000, -0.0000313600000000, -0.0000128000000000 ] - [ 0.0087622800000000, -0.0049100300000000, -0.0013112300000000 ] - [ 0.0002033200000000, 0.0003519100000000, -0.0000381000000000 ] - [ 0.0087484600000000, 0.0049506700000000, -0.0012699200000000 ] - [ 0.0002021700000000, -0.0004234100000000, -0.0000528200000000 ] - [ 0.0004635000000000, -0.0001076700000000, 0.0004667300000000 ] - [ 0.0005085500000000, 0.0001944400000000, 0.0005250800000000 ] - [ 0.0020888700000000, -0.0001102600000000, -0.0078115000000000 ] - [ 0.0001354600000000, -0.0000089400000000, -0.0000355800000000 ] - [ -0.0000224500000000, -0.0002804700000000, 0.0002396000000000 ] - [ -0.0000174100000000, 0.0002042700000000, 0.0002154800000000 ] - [ 0.0008360900000000, 0.0011521700000000, 0.0006208500000000 ] - [ 0.0008629100000000, -0.0012306500000000, 0.0006098900000000 ] - [ -0.4239292400000000, 0.0039908600000000, 0.0303246100000000 ] - [ -0.0001539600000000, -0.0000209000000000, 0.0003241200000000 ] - [ 0.0060791300000000, 0.0000879000000000, 0.0026957600000000 ] - [ -0.0001282200000000, 0.0001078600000000, 0.0000697600000000 ] - [ -0.0017221500000000, 0.0010290300000000, -0.0001149300000000 ] - [ -0.0018867300000000, -0.0011155400000000, -0.0000635000000000 ] - [ 0.0009412100000000, -0.0027529000000000, 0.0021515500000000 ] - [ 0.0009460400000000, 0.0028287300000000, 0.0024692500000000 ] - [ 0.0681579000000000, 0.0000868600000000, -0.0229579400000000 ] - [ 0.0001408900000000, 0.0001014700000000, 0.0000153000000000 ] - [ -0.0047876500000000, 0.0000930200000000, 0.0026483600000000 ] - [ -0.0000080000000000, -0.0000192400000000, -0.0003054200000000 ] - [ 0.0013100400000000, 0.0013577800000000, -0.0006576200000000 ] - [ 0.0013754700000000, -0.0013609500000000, -0.0006394000000000 ] - [ 0.0011386900000000, 0.0012985900000000, -0.0055966300000000 ] - [ 0.0002562700000000, -0.0002782300000000, -0.0002685000000000 ] - [ -0.0005245800000000, -0.0001918200000000, -0.0004384000000000 ] - [ -0.0005162400000000, 0.0002876700000000, -0.0004854800000000 ] - [ -0.0200778500000000, 0.0002447900000000, -0.0067503700000000 ] - [ 0.0000941600000000, -0.0000009900000000, -0.0000969900000000 ] - [ -0.0070143600000000, 0.0004907000000000, 0.0022438200000000 ] - [ -0.0001117800000000, 0.0000039300000000, -0.0001024000000000 ] - [ -0.0051017900000000, -0.0004686400000000, 0.0021472900000000 ] - [ -0.0000235100000000, 0.0000705700000000, -0.0000508600000000 ] - [ -0.0006377300000000, -0.0022788600000000, 0.0027800800000000 ] - [ -0.0001589900000000, 0.0007243200000000, 0.0001351400000000 ] - [ -0.0005058200000000, 0.0028630600000000, 0.0025972900000000 ] - [ -0.0000790200000000, -0.0006418200000000, 0.0000881000000000 ] - [ -0.0023026600000000, 0.0008993700000000, -0.0005384500000000 ] - [ -0.0003722400000000, -0.0004389700000000, 0.0001642900000000 ] - [ -0.0022636300000000, -0.0008747800000000, -0.0006583900000000 ] - [ -0.0003696100000000, 0.0005033500000000, 0.0002143300000000 ] - [ 0.0322526000000000, 0.0002351900000000, -0.0169610600000000 ] - [ 0.0000919600000000, -0.0000385700000000, -0.0000676000000000 ] - [ 0.0014076200000000, -0.0002088200000000, -0.0004329300000000 ] - [ 0.0012205400000000, 0.0001844200000000, -0.0004853400000000 ] - [ -0.0057395900000000, -0.0010436400000000, -0.0009107700000000 ] - [ -0.0001090700000000, -0.0002048100000000, 0.0000323200000000 ] - [ -0.0055232000000000, 0.0008853700000000, -0.0009140100000000 ] - [ -0.0001201200000000, 0.0001152900000000, 0.0000070400000000 ] - [ 0.0738770800000000, 0.0619033200000000, 0.0272807500000000 ] - [ 0.0000941000000000, 0.0000921100000000, 0.0000634800000000 ] - [ 0.0741063900000000, -0.0643742600000000, 0.0294769200000000 ] - [ 0.0000724500000000, -0.0000046800000000, -0.0000323200000000 ] - [ -0.0021776300000000, -0.0054771900000000, -0.0039540800000000 ] - [ 0.0001285300000000, 0.0009283100000000, -0.0000939600000000 ] - [ -0.0020700700000000, 0.0050115900000000, -0.0037576400000000 ] - [ 0.0000574700000000, -0.0009905400000000, -0.0001397900000000 ] - [ 0.2162443900000000, -0.0021685400000000, -0.0640857500000000 ] - [ -0.0001560900000000, -0.0000051700000000, -0.0000913800000000 ] - [ -0.0016551300000000, -0.0002235600000000, -0.0007521400000000 ] - [ -0.0015630800000000, 0.0001867900000000, -0.0006807200000000 ] - [ 0.0001596600000000, 0.0007981900000000, 0.0000565700000000 ] - [ 0.0001616000000000, -0.0007267300000000, 0.0000878100000000 ] - [ 0.0000887500000000, 0.0000268500000000, -0.0035372000000000 ] - [ 0.0002583400000000, -0.0000051200000000, 0.0000493400000000 ] - [ 0.0039423300000000, 0.0003132900000000, -0.0009100400000000 ] - [ 0.0002517300000000, -0.0002900000000000, 0.0001102500000000 ] - [ 0.0042103100000000, -0.0001234700000000, -0.0009453000000000 ] - [ 0.0003748300000000, 0.0003244100000000, 0.0001294500000000 ] - [ 0.0059743600000000, 0.0015741700000000, -0.0013155200000000 ] - [ 0.0000803300000000, -0.0000088700000000, -0.0000250400000000 ] - [ 0.0059013700000000, -0.0015844500000000, -0.0014824600000000 ] - [ 0.0001080500000000, 0.0000917900000000, 0.0000695500000000 ] - [ -0.0132845500000000, 0.0111407300000000, 0.0100960600000000 ] - [ 0.0000145200000000, -0.0002734500000000, -0.0000373700000000 ] - [ -0.0135943900000000, -0.0118254200000000, 0.0100618600000000 ] - [ 0.0000200100000000, 0.0001878100000000, -0.0000101900000000 ] - [ 0.0002038600000000, -0.0003670500000000, -0.0008295500000000 ] - [ 0.0001724900000000, 0.0004275100000000, -0.0007241900000000 ] - [ -0.0015780200000000, -0.0001963700000000, -0.0017891300000000 ] - [ -0.0000767000000000, -0.0000385400000000, 0.0000882900000000 ] - [ -0.0011977400000000, -0.0025371500000000, 0.0017095600000000 ] - [ -0.0001670800000000, 0.0005661700000000, -0.0001129400000000 ] - [ -0.0012133600000000, 0.0026552800000000, 0.0017979100000000 ] - [ -0.0001359200000000, -0.0005284100000000, -0.0000822900000000 ] - [ -0.0003638100000000, -0.0003195300000000, 0.0013348300000000 ] - [ 0.0000415800000000, 0.0000841600000000, 0.0000438100000000 ] - [ -0.0001507600000000, 0.0000889700000000, 0.0011128100000000 ] - [ 0.0000349200000000, -0.0001091400000000, 0.0000343500000000 ] - [ 0.0003863500000000, 0.0007769100000000, 0.0022835400000000 ] - [ -0.0000939900000000, 0.0000368800000000, 0.0001502300000000 ] - [ 0.0003429900000000, -0.0005470000000000, 0.0026748300000000 ] - [ 0.0000155900000000, 0.0000389600000000, 0.0001766300000000 ] - [ -0.0013752800000000, -0.0001318100000000, 0.0014534300000000 ] - [ -0.0001454900000000, -0.0000026200000000, 0.0000629600000000 ] - [ 0.0004326000000000, -0.0000747900000000, 0.0005780200000000 ] - [ 0.0003919700000000, 0.0001548400000000, 0.0005465200000000 ]- atom: 31 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0109471200000000, -0.0087932100000000, -0.0013268200000000 ] - [ -0.0003084500000000, 0.0002205400000000, 0.0000505500000000 ] - [ -0.0104564200000000, 0.0086794600000000, -0.0014817000000000 ] - [ -0.0003273400000000, -0.0001843200000000, 0.0000238800000000 ] - [ 0.0022209400000000, 0.0034375900000000, 0.0048126300000000 ] - [ 0.0001588400000000, -0.0000589000000000, 0.0000742100000000 ] - [ 0.0022301400000000, -0.0033362700000000, 0.0046387500000000 ] - [ 0.0001525500000000, 0.0000880200000000, 0.0001285600000000 ] - [ -0.0139743500000000, -0.0009153700000000, -0.0054885300000000 ] - [ -0.0002883500000000, 0.0000472300000000, -0.0000888000000000 ] - [ -0.0009073500000000, 0.0015750700000000, 0.0047583000000000 ] - [ -0.0001690600000000, -0.0000183300000000, 0.0001807300000000 ] - [ 0.0017812300000000, 0.0018796400000000, 0.0008318200000000 ] - [ 0.0017185600000000, -0.0018916400000000, 0.0007696900000000 ] - [ 0.0145068300000000, -0.0024637600000000, -0.0090547100000000 ] - [ 0.0004710400000000, 0.0000148900000000, -0.0000037000000000 ] - [ 0.0137376300000000, 0.0024184400000000, -0.0089903600000000 ] - [ 0.0005042700000000, -0.0002761300000000, 0.0000129800000000 ] - [ -0.0087616500000000, 0.0050817200000000, 0.0012962500000000 ] - [ -0.0002030100000000, -0.0001513100000000, 0.0000361200000000 ] - [ -0.0087454100000000, -0.0051571400000000, 0.0012544800000000 ] - [ -0.0002026900000000, 0.0001915800000000, 0.0000511700000000 ] - [ -0.0002922400000000, 0.0001296300000000, -0.0004408700000000 ] - [ -0.0003340900000000, -0.0001862600000000, -0.0005036600000000 ] - [ -0.0016915400000000, 0.0001466700000000, 0.0079000500000000 ] - [ 0.0002276500000000, 0.0000454600000000, 0.0001116300000000 ] - [ 0.0000189000000000, 0.0002292800000000, -0.0002388900000000 ] - [ 0.0000141600000000, -0.0002559800000000, -0.0002142700000000 ] - [ -0.0007907800000000, -0.0011262300000000, -0.0002097000000000 ] - [ -0.0008182700000000, 0.0012284800000000, -0.0001980000000000 ] - [ 0.4090360800000000, -0.0037708200000000, -0.0197817400000000 ] - [ 0.0001953400000000, 0.0000115900000000, 0.0003849000000000 ] - [ -0.0065384200000000, 0.0001651100000000, -0.0025814400000000 ] - [ -0.0003277400000000, 0.0001482500000000, 0.0000907500000000 ] - [ 0.0015184200000000, -0.0009982600000000, -0.0000717500000000 ] - [ 0.0016859500000000, 0.0011639200000000, -0.0001278800000000 ] - [ -0.0007452100000000, 0.0027800100000000, -0.0019572600000000 ] - [ -0.0007535700000000, -0.0027776200000000, -0.0022680800000000 ] - [ -0.0672916900000000, 0.0001571800000000, 0.0224972000000000 ] - [ 0.0003143300000000, 0.0001552000000000, -0.0001765600000000 ] - [ 0.0047655800000000, -0.0001042500000000, -0.0032909600000000 ] - [ -0.0000344700000000, 0.0000105200000000, -0.0004040800000000 ] - [ -0.0013573900000000, -0.0013425100000000, 0.0002418900000000 ] - [ -0.0014217600000000, 0.0013683900000000, 0.0002231600000000 ] - [ -0.0010825200000000, -0.0012848400000000, 0.0056466700000000 ] - [ -0.0002549200000000, 0.0003410000000000, 0.0002675100000000 ] - [ 0.0002507600000000, 0.0002587100000000, 0.0003996900000000 ] - [ 0.0002401300000000, -0.0002122600000000, 0.0004482200000000 ] - [ 0.0203364900000000, -0.0002539100000000, 0.0066894600000000 ] - [ 0.0001839000000000, -0.0000112800000000, 0.0000059700000000 ] - [ 0.0070755800000000, -0.0004556900000000, -0.0024460000000000 ] - [ 0.0001383600000000, 0.0000813500000000, -0.0000506600000000 ] - [ 0.0053650700000000, 0.0004550400000000, -0.0022321100000000 ] - [ 0.0002774500000000, -0.0001316100000000, 0.0000104600000000 ] - [ 0.0003993000000000, 0.0023075000000000, -0.0027866000000000 ] - [ -0.0000513800000000, -0.0007068900000000, -0.0001488900000000 ] - [ 0.0003270100000000, -0.0029166400000000, -0.0025874900000000 ] - [ -0.0000732400000000, 0.0005978400000000, -0.0000845700000000 ] - [ 0.0022240500000000, -0.0010590500000000, 0.0007358900000000 ] - [ 0.0002900700000000, 0.0002614000000000, 0.0000333900000000 ] - [ 0.0022180800000000, 0.0010554800000000, 0.0009024300000000 ] - [ 0.0003199900000000, -0.0003036000000000, 0.0000257600000000 ] - [ -0.0316918400000000, -0.0003250700000000, 0.0146842400000000 ] - [ 0.0000164400000000, -0.0000574400000000, -0.0001547400000000 ] - [ -0.0014289100000000, 0.0002319100000000, -0.0001903700000000 ] - [ -0.0012445100000000, -0.0001504800000000, -0.0001402100000000 ] - [ 0.0057932500000000, 0.0006852700000000, 0.0009940100000000 ] - [ 0.0001520100000000, -0.0001659000000000, 0.0000272400000000 ] - [ 0.0055702000000000, -0.0007670000000000, 0.0009261300000000 ] - [ 0.0001584500000000, 0.0000103000000000, -0.0000181200000000 ] - [ -0.0739307000000000, -0.0636962900000000, -0.0281256000000000 ] - [ -0.0001148900000000, -0.0001604600000000, -0.0000206200000000 ] - [ -0.0741352600000000, 0.0662889100000000, -0.0305225100000000 ] - [ -0.0001246200000000, 0.0001937400000000, -0.0001066400000000 ] - [ 0.0022293100000000, 0.0054559500000000, 0.0038741700000000 ] - [ -0.0000473900000000, -0.0008982600000000, 0.0000427300000000 ] - [ 0.0019614300000000, -0.0050327800000000, 0.0036397200000000 ] - [ -0.0001368900000000, 0.0009200300000000, 0.0000516400000000 ] - [ -0.2028384400000000, 0.0019371900000000, 0.0582437300000000 ] - [ -0.0004559600000000, -0.0000217400000000, -0.0000310400000000 ] - [ 0.0016892400000000, 0.0001910800000000, 0.0005474100000000 ] - [ 0.0015980400000000, -0.0002166900000000, 0.0004754000000000 ] - [ -0.0001943400000000, -0.0008268200000000, 0.0001480600000000 ] - [ -0.0001965200000000, 0.0006933000000000, 0.0001179200000000 ] - [ 0.0005063000000000, -0.0000522600000000, 0.0036595900000000 ] - [ 0.0003536100000000, -0.0000211200000000, 0.0000726900000000 ] - [ -0.0040029800000000, -0.0003048500000000, 0.0009490000000000 ] - [ -0.0003321100000000, 0.0003161700000000, -0.0000590500000000 ] - [ -0.0041058900000000, 0.0000760400000000, 0.0010222700000000 ] - [ -0.0002928500000000, -0.0003910000000000, -0.0000434100000000 ] - [ -0.0059393400000000, -0.0016375500000000, 0.0012344900000000 ] - [ -0.0000580300000000, -0.0000593900000000, -0.0000200100000000 ] - [ -0.0058362800000000, 0.0017712500000000, 0.0015855900000000 ] - [ -0.0000572900000000, 0.0000979400000000, 0.0000705100000000 ] - [ 0.0132549300000000, -0.0115228700000000, -0.0101475500000000 ] - [ -0.0000585300000000, -0.0000971700000000, -0.0000210500000000 ] - [ 0.0135636100000000, 0.0119635200000000, -0.0100399800000000 ] - [ -0.0000577900000000, -0.0000619200000000, 0.0000211800000000 ] - [ -0.0001752300000000, 0.0003944500000000, 0.0014470700000000 ] - [ -0.0001423000000000, -0.0003972900000000, 0.0013445100000000 ] - [ 0.0014728600000000, 0.0001032500000000, 0.0019707300000000 ] - [ -0.0000312300000000, -0.0000573400000000, 0.0001338000000000 ] - [ 0.0012475100000000, 0.0027280800000000, -0.0019462600000000 ] - [ 0.0002155000000000, -0.0003703800000000, -0.0001262500000000 ] - [ 0.0012939500000000, -0.0028241900000000, -0.0019877100000000 ] - [ 0.0002158100000000, 0.0003540900000000, -0.0001121000000000 ] - [ 0.0005697400000000, 0.0003467200000000, -0.0013352100000000 ] - [ 0.0001657300000000, -0.0000694500000000, -0.0000310800000000 ] - [ 0.0002986900000000, -0.0001414600000000, -0.0011277200000000 ] - [ 0.0001162600000000, 0.0000673100000000, -0.0000374000000000 ] - [ -0.0006705200000000, -0.0008474400000000, -0.0022410300000000 ] - [ -0.0001613200000000, -0.0000990900000000, -0.0001099200000000 ] - [ -0.0003983900000000, 0.0006401000000000, -0.0025176800000000 ] - [ -0.0000432100000000, 0.0000466900000000, -0.0000237700000000 ] - [ 0.0011105000000000, 0.0001203700000000, -0.0013242300000000 ] - [ -0.0001323200000000, -0.0000099900000000, 0.0000286200000000 ] - [ -0.0001573700000000, 0.0001458800000000, -0.0005403100000000 ] - [ -0.0001143700000000, -0.0000839500000000, -0.0005099400000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0177863100000000, 0.0076146100000000, -0.0005828000000000 ] - [ -0.0003725400000000, 0.0028175400000000, 0.0000859400000000 ] - [ -0.0179668400000000, 0.0077144800000000, 0.0006150700000000 ] - [ 0.0004052800000000, 0.0028213700000000, -0.0000346200000000 ] - [ -0.0027193000000000, -0.0022270200000000, 0.0010713600000000 ] - [ 0.0002365700000000, 0.0025504700000000, -0.0002890000000000 ] - [ 0.0028703400000000, -0.0023682400000000, -0.0013356900000000 ] - [ -0.0002585900000000, 0.0025796200000000, 0.0002382600000000 ] - [ -0.0001879200000000, -0.0100695000000000, -0.0000170300000000 ] - [ -0.0002155100000000, 0.0035381500000000, -0.0000685000000000 ] - [ -0.0029061400000000, -0.0033276000000000, 0.0056536200000000 ] - [ 0.0003289900000000, 0.0038265300000000, -0.0003787000000000 ] - [ 0.0001643800000000, 0.0059851700000000, 0.0023334800000000 ] - [ 0.0000636800000000, 0.0057396300000000, -0.0023237300000000 ] - [ -0.0067882100000000, 0.0214100600000000, 0.0320082700000000 ] - [ 0.0000531500000000, 0.0045940000000000, -0.0002124600000000 ] - [ 0.0065613100000000, 0.0219056500000000, -0.0323913200000000 ] - [ -0.0000726200000000, 0.0046287800000000, 0.0001988000000000 ] - [ 0.0016043700000000, -0.0027366200000000, 0.0005159800000000 ] - [ -0.0000136500000000, 0.0038856100000000, -0.0000799700000000 ] - [ -0.0016086100000000, -0.0030220200000000, -0.0005266000000000 ] - [ 0.0000158000000000, 0.0036917000000000, 0.0000668000000000 ] - [ 0.0006660800000000, 0.0017823500000000, -0.0004705000000000 ] - [ -0.0005251500000000, 0.0017381000000000, 0.0005688700000000 ] - [ 0.0000398500000000, -0.0055745300000000, 0.0001019600000000 ] - [ 0.0002177700000000, 0.0035419300000000, 0.0000672400000000 ] - [ -0.0004232400000000, 0.0002076900000000, -0.0003756900000000 ] - [ 0.0003846500000000, 0.0001854100000000, 0.0003200300000000 ] - [ 0.0011212400000000, 0.0019064500000000, 0.0000959000000000 ] - [ -0.0011451700000000, 0.0020066600000000, 0.0002525500000000 ] - [ 0.0094951200000000, -0.4209001900000000, 0.0103544400000000 ] - [ -0.0000034700000000, 0.0047066400000000, 0.0003134600000000 ] - [ -0.0003028000000000, -0.0128191000000000, 0.0001777200000000 ] - [ -0.0002119300000000, 0.0043836200000000, 0.0001103700000000 ] - [ 0.0029072500000000, 0.0070752100000000, 0.0001185900000000 ] - [ -0.0032575700000000, 0.0067943800000000, 0.0000374500000000 ] - [ -0.0017096400000000, 0.0069746400000000, -0.0031277000000000 ] - [ 0.0019157700000000, 0.0070123400000000, 0.0037431100000000 ] - [ -0.0001308100000000, -0.0050402600000000, 0.0000315800000000 ] - [ 0.0002142000000000, 0.0043711300000000, -0.0001119400000000 ] - [ -0.0001194200000000, -0.0191319200000000, -0.0004271200000000 ] - [ 0.0000013700000000, 0.0044566500000000, -0.0003148400000000 ] - [ -0.0017253800000000, 0.0011238500000000, 0.0009795500000000 ] - [ 0.0016893500000000, 0.0012552400000000, -0.0013366300000000 ] - [ 0.0035028100000000, -0.0046000400000000, -0.0069309200000000 ] - [ -0.0005169000000000, 0.0044416500000000, 0.0005498100000000 ] - [ -0.0006201500000000, -0.0004730200000000, 0.0001281400000000 ] - [ 0.0004066900000000, -0.0004813900000000, -0.0001682200000000 ] - [ 0.0003725200000000, 0.0029222100000000, 0.0000951100000000 ] - [ 0.0001533000000000, -0.0015911400000000, -0.0000285700000000 ] - [ 0.0057383700000000, 0.0051681400000000, -0.0032960200000000 ] - [ -0.0007805500000000, -0.0025741300000000, -0.0001030800000000 ] - [ -0.0048819700000000, 0.0046324200000000, 0.0029731600000000 ] - [ 0.0010862600000000, -0.0026729500000000, 0.0001861500000000 ] - [ -0.0031935600000000, -0.0028951700000000, 0.0055409100000000 ] - [ 0.0011031600000000, -0.0033918400000000, -0.0005516100000000 ] - [ 0.0028929300000000, -0.0043894100000000, -0.0051489400000000 ] - [ -0.0011550500000000, -0.0031712600000000, 0.0003377800000000 ] - [ -0.0012855000000000, -0.0000661300000000, -0.0002055900000000 ] - [ -0.0004299100000000, -0.0021547400000000, 0.0006795200000000 ] - [ 0.0011872800000000, 0.0002237200000000, 0.0004964000000000 ] - [ 0.0003803200000000, -0.0020020100000000, -0.0004530000000000 ] - [ 0.0004901600000000, 0.0337943000000000, -0.0027773500000000 ] - [ 0.0000595700000000, -0.0017039600000000, -0.0000874200000000 ] - [ 0.0011102400000000, -0.0033048900000000, 0.0001269300000000 ] - [ -0.0009553400000000, -0.0029211000000000, -0.0007200200000000 ] - [ -0.0040232800000000, 0.0046507800000000, -0.0038063800000000 ] - [ -0.0001948000000000, -0.0029288700000000, 0.0007795300000000 ] - [ 0.0037282300000000, 0.0050152000000000, 0.0036902100000000 ] - [ 0.0002658600000000, -0.0027376000000000, -0.0007530400000000 ] - [ 0.0616532700000000, 0.1507900500000000, 0.0550560500000000 ] - [ -0.0005198400000000, -0.0031650600000000, -0.0007819800000000 ] - [ -0.0685047700000000, 0.1633971500000000, -0.0633932300000000 ] - [ 0.0004812800000000, -0.0030587800000000, 0.0007580300000000 ] - [ -0.0039355700000000, -0.0101585200000000, -0.0062855800000000 ] - [ -0.0001728600000000, -0.0038684300000000, -0.0004731900000000 ] - [ 0.0038608300000000, -0.0097178900000000, 0.0061031300000000 ] - [ 0.0002209400000000, -0.0040296300000000, 0.0003626700000000 ] - [ -0.0035395900000000, 0.0313368900000000, 0.0011746000000000 ] - [ -0.0002965100000000, -0.0016077700000000, -0.0000622000000000 ] - [ -0.0021023700000000, -0.0012623300000000, -0.0008087400000000 ] - [ 0.0020895500000000, -0.0012758900000000, 0.0005192500000000 ] - [ 0.0019118100000000, -0.0011518300000000, 0.0003502600000000 ] - [ -0.0019457300000000, -0.0012051700000000, -0.0001943500000000 ] - [ 0.0003612300000000, 0.0070876000000000, -0.0000576600000000 ] - [ 0.0002963100000000, -0.0015741000000000, 0.0000628200000000 ] - [ 0.0044698900000000, -0.0050049600000000, -0.0030542600000000 ] - [ 0.0000925400000000, -0.0036068900000000, 0.0010893300000000 ] - [ -0.0048193700000000, -0.0056435200000000, 0.0031755800000000 ] - [ -0.0000922400000000, -0.0036463900000000, -0.0010463000000000 ] - [ 0.0025287200000000, 0.0077222100000000, -0.0106786500000000 ] - [ 0.0004836100000000, -0.0030178800000000, 0.0008442500000000 ] - [ -0.0025672400000000, 0.0079826700000000, 0.0111430500000000 ] - [ -0.0004339000000000, -0.0029106200000000, -0.0008191100000000 ] - [ -0.0014812800000000, 0.0047427900000000, 0.0023659900000000 ] - [ 0.0002124800000000, -0.0029132500000000, -0.0007429200000000 ] - [ 0.0017621300000000, 0.0054869600000000, -0.0025287000000000 ] - [ -0.0002870600000000, -0.0027246700000000, 0.0007214300000000 ] - [ 0.0004705100000000, -0.0014022500000000, -0.0014468700000000 ] - [ -0.0004541000000000, -0.0014838300000000, 0.0019214400000000 ] - [ -0.0000293600000000, 0.0047614400000000, 0.0000314400000000 ] - [ -0.0000594900000000, -0.0016214500000000, 0.0000875600000000 ] - [ 0.0001314000000000, 0.0009517600000000, -0.0003732700000000 ] - [ -0.0005315800000000, -0.0018535600000000, 0.0005298100000000 ] - [ -0.0000218700000000, 0.0006925200000000, 0.0001748400000000 ] - [ 0.0005830900000000, -0.0019835900000000, -0.0007392600000000 ] - [ -0.0002450300000000, 0.0003912800000000, 0.0007070600000000 ] - [ -0.0005755700000000, -0.0020775800000000, 0.0001325400000000 ] - [ 0.0002099100000000, 0.0003209000000000, -0.0003662200000000 ] - [ 0.0006689200000000, -0.0020633800000000, -0.0000700200000000 ] - [ 0.0021808800000000, 0.0045471100000000, 0.0009187600000000 ] - [ -0.0008622000000000, -0.0025812000000000, -0.0003501900000000 ] - [ -0.0021937000000000, 0.0045127200000000, -0.0003235900000000 ] - [ 0.0006137800000000, -0.0024799600000000, 0.0002138900000000 ] - [ -0.0001537100000000, 0.0031091100000000, -0.0000652600000000 ] - [ -0.0001555300000000, -0.0015852400000000, 0.0000267100000000 ] - [ 0.0002223500000000, -0.0007771800000000, -0.0013701200000000 ] - [ -0.0000439300000000, -0.0007778100000000, 0.0013520900000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0178785900000000, -0.0075843000000000, 0.0006504800000000 ] - [ 0.0003454200000000, -0.0027693300000000, 0.0000261900000000 ] - [ 0.0178753100000000, -0.0077463800000000, -0.0006310600000000 ] - [ -0.0004319200000000, -0.0028659400000000, 0.0000645200000000 ] - [ 0.0027612300000000, 0.0022919000000000, -0.0011976000000000 ] - [ -0.0002011800000000, -0.0025090800000000, 0.0001605300000000 ] - [ -0.0028435100000000, 0.0023042800000000, 0.0013157900000000 ] - [ 0.0002761900000000, -0.0026220500000000, -0.0002589600000000 ] - [ -0.0001829400000000, 0.0101014900000000, -0.0000852800000000 ] - [ -0.0001455100000000, -0.0035065600000000, -0.0000153000000000 ] - [ 0.0028889400000000, 0.0036289100000000, -0.0056308700000000 ] - [ -0.0003318200000000, -0.0034849500000000, 0.0003817000000000 ] - [ -0.0003359900000000, -0.0059404300000000, -0.0023390900000000 ] - [ -0.0002399500000000, -0.0057443700000000, 0.0023176400000000 ] - [ 0.0067011700000000, -0.0218063400000000, -0.0322451900000000 ] - [ -0.0000588200000000, -0.0048835500000000, 0.0002105200000000 ] - [ -0.0066553600000000, -0.0220941400000000, 0.0321542000000000 ] - [ 0.0000668000000000, -0.0049240800000000, -0.0002016800000000 ] - [ -0.0016071400000000, 0.0029422300000000, -0.0005168600000000 ] - [ 0.0000157200000000, -0.0037085000000000, 0.0000789300000000 ] - [ 0.0016071000000000, 0.0027806300000000, 0.0005256600000000 ] - [ -0.0000148900000000, -0.0039048100000000, -0.0000676400000000 ] - [ -0.0004951800000000, -0.0017679000000000, 0.0004918800000000 ] - [ 0.0006969500000000, -0.0017151800000000, -0.0005482200000000 ] - [ 0.0002985700000000, 0.0056093500000000, 0.0000073800000000 ] - [ 0.0001438400000000, -0.0035104100000000, 0.0000179600000000 ] - [ 0.0004269100000000, -0.0002587000000000, 0.0003813200000000 ] - [ -0.0003815400000000, -0.0002373900000000, -0.0003150500000000 ] - [ -0.0010665600000000, -0.0019000600000000, 0.0003028700000000 ] - [ 0.0012002000000000, -0.0019787900000000, 0.0001468400000000 ] - [ 0.0017628300000000, 0.4206352400000000, 0.0015759900000000 ] - [ 0.0000387000000000, -0.0047220100000000, 0.0003750800000000 ] - [ -0.0001476700000000, 0.0130704300000000, 0.0000099500000000 ] - [ -0.0002460100000000, -0.0041334400000000, 0.0000693700000000 ] - [ -0.0030749600000000, -0.0070119000000000, -0.0003165000000000 ] - [ 0.0030919900000000, -0.0067665100000000, -0.0002391800000000 ] - [ 0.0018927300000000, -0.0069395900000000, 0.0033222700000000 ] - [ -0.0017334600000000, -0.0069610900000000, -0.0035481400000000 ] - [ 0.0005894600000000, 0.0052917400000000, -0.0002073700000000 ] - [ 0.0002442600000000, -0.0041200100000000, -0.0000680000000000 ] - [ 0.0000679000000000, 0.0191163400000000, -0.0002348900000000 ] - [ -0.0000378400000000, -0.0044714800000000, -0.0003746600000000 ] - [ 0.0016780500000000, -0.0011179800000000, -0.0013690100000000 ] - [ -0.0017365000000000, -0.0012266600000000, 0.0009469100000000 ] - [ -0.0035257100000000, 0.0046947000000000, 0.0069611000000000 ] - [ 0.0005132200000000, -0.0043959500000000, -0.0005464500000000 ] - [ 0.0003297500000000, 0.0005486500000000, -0.0001394800000000 ] - [ -0.0006961400000000, 0.0005521200000000, 0.0001565900000000 ] - [ -0.0000363000000000, -0.0029304500000000, -0.0001277800000000 ] - [ 0.0001262000000000, 0.0015859300000000, -0.0000220900000000 ] - [ -0.0057056700000000, -0.0050709700000000, 0.0031347500000000 ] - [ 0.0008030600000000, 0.0026447700000000, -0.0000599100000000 ] - [ 0.0051494200000000, -0.0047108700000000, -0.0030128600000000 ] - [ -0.0008290400000000, 0.0026182300000000, -0.0002248900000000 ] - [ 0.0030180900000000, 0.0029174100000000, -0.0055883000000000 ] - [ -0.0013106000000000, 0.0034002700000000, 0.0005296800000000 ] - [ -0.0030076600000000, 0.0043219400000000, 0.0051215600000000 ] - [ 0.0010105800000000, 0.0031276200000000, -0.0003438500000000 ] - [ 0.0012102600000000, -0.0001185600000000, 0.0004059300000000 ] - [ 0.0003552300000000, 0.0019869500000000, -0.0004846400000000 ] - [ -0.0012359500000000, -0.0000137600000000, -0.0002546500000000 ] - [ -0.0004287900000000, 0.0021950700000000, 0.0006883500000000 ] - [ -0.0001954400000000, -0.0338592700000000, 0.0003832000000000 ] - [ 0.0000742200000000, 0.0016146900000000, -0.0001070100000000 ] - [ -0.0011476300000000, 0.0033514600000000, -0.0007572500000000 ] - [ 0.0009192700000000, 0.0029365000000000, 0.0000881600000000 ] - [ 0.0040674600000000, -0.0050301900000000, 0.0038699100000000 ] - [ 0.0002426900000000, 0.0025633400000000, -0.0007189600000000 ] - [ -0.0036943300000000, -0.0048805900000000, -0.0037006100000000 ] - [ -0.0002250200000000, 0.0028595100000000, 0.0007425300000000 ] - [ -0.0664211100000000, -0.1580863500000000, -0.0594259700000000 ] - [ 0.0004948500000000, 0.0031004200000000, 0.0008321900000000 ] - [ 0.0636091300000000, -0.1558013400000000, 0.0586292500000000 ] - [ -0.0005294200000000, 0.0032431100000000, -0.0008955500000000 ] - [ 0.0040083200000000, 0.0101242900000000, 0.0062229900000000 ] - [ 0.0002525100000000, 0.0039055900000000, 0.0004323500000000 ] - [ -0.0039430800000000, 0.0097144900000000, -0.0062107800000000 ] - [ -0.0002964100000000, 0.0039543500000000, -0.0004468300000000 ] - [ 0.0013476700000000, -0.0313181000000000, -0.0007972900000000 ] - [ -0.0003165300000000, 0.0015830800000000, -0.0000555200000000 ] - [ 0.0021404800000000, 0.0012258300000000, 0.0006058800000000 ] - [ -0.0020519200000000, 0.0012500100000000, -0.0007214300000000 ] - [ -0.0019668200000000, 0.0011195600000000, -0.0001517500000000 ] - [ 0.0018915100000000, 0.0011748700000000, 0.0003922100000000 ] - [ 0.0002555000000000, -0.0071126800000000, 0.0001647700000000 ] - [ 0.0003165800000000, 0.0015500200000000, 0.0000546200000000 ] - [ -0.0045535300000000, 0.0050393200000000, 0.0031183800000000 ] - [ -0.0001695900000000, 0.0036285900000000, -0.0010409100000000 ] - [ 0.0048914700000000, 0.0055677400000000, -0.0030680600000000 ] - [ 0.0001724600000000, 0.0035857600000000, 0.0011355800000000 ] - [ -0.0024978200000000, -0.0078066900000000, 0.0106364500000000 ] - [ -0.0004542400000000, 0.0029524100000000, -0.0008950400000000 ] - [ 0.0026211000000000, -0.0077772300000000, -0.0109948900000000 ] - [ 0.0004821900000000, 0.0030957800000000, 0.0009596300000000 ] - [ 0.0014570400000000, -0.0051502500000000, -0.0024487400000000 ] - [ -0.0002630400000000, 0.0025468000000000, 0.0006823800000000 ] - [ -0.0017774500000000, -0.0053217000000000, 0.0025166100000000 ] - [ 0.0002473100000000, 0.0028464500000000, -0.0007100700000000 ] - [ -0.0004369600000000, 0.0014261700000000, 0.0020747400000000 ] - [ 0.0004874400000000, 0.0015167700000000, -0.0012934000000000 ] - [ -0.0000993700000000, -0.0048511800000000, 0.0001657500000000 ] - [ -0.0000728500000000, 0.0015321600000000, 0.0001073500000000 ] - [ -0.0000817100000000, -0.0007397500000000, 0.0001312300000000 ] - [ 0.0005785700000000, 0.0020461900000000, -0.0007664200000000 ] - [ 0.0000968700000000, -0.0008795800000000, -0.0003738300000000 ] - [ -0.0005115000000000, 0.0018158400000000, 0.0005453900000000 ] - [ 0.0004554100000000, -0.0003875500000000, -0.0006918200000000 ] - [ 0.0007862700000000, 0.0020941000000000, -0.0001139700000000 ] - [ -0.0000604000000000, -0.0003603900000000, 0.0003683400000000 ] - [ -0.0005185900000000, 0.0020121100000000, 0.0000734000000000 ] - [ -0.0024507800000000, -0.0046302600000000, -0.0008723500000000 ] - [ 0.0006072300000000, 0.0025267600000000, 0.0003895700000000 ] - [ 0.0021580000000000, -0.0044162700000000, 0.0004960400000000 ] - [ -0.0006354000000000, 0.0025503100000000, -0.0000519100000000 ] - [ -0.0001229600000000, -0.0031164400000000, 0.0001338000000000 ] - [ -0.0001243800000000, 0.0015794100000000, 0.0000226000000000 ] - [ 0.0000640400000000, 0.0008495800000000, 0.0013704400000000 ] - [ 0.0003297600000000, 0.0008507000000000, -0.0013518600000000 ]- atom: 31 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0006594800000000, -0.0015723900000000, -0.0046448000000000 ] - [ -0.0000576700000000, 0.0000669300000000, -0.0002343900000000 ] - [ 0.0011166200000000, 0.0014517500000000, -0.0046272500000000 ] - [ -0.0000918700000000, -0.0000686700000000, -0.0003038800000000 ] - [ -0.0025225000000000, 0.0016102500000000, 0.0074950700000000 ] - [ -0.0001174200000000, -0.0000616400000000, 0.0002849700000000 ] - [ -0.0026595200000000, -0.0012263300000000, 0.0073857000000000 ] - [ -0.0001018500000000, 0.0000482500000000, 0.0003602600000000 ] - [ -0.0117267100000000, -0.0005560000000000, -0.0042400300000000 ] - [ -0.0003111800000000, 0.0000270000000000, -0.0000577500000000 ] - [ -0.0076423300000000, 0.0089031100000000, 0.0007672800000000 ] - [ -0.0001786700000000, -0.0001926200000000, 0.0001171700000000 ] - [ 0.0011185400000000, 0.0024713300000000, -0.0008225100000000 ] - [ 0.0013736400000000, -0.0027331700000000, -0.0010008100000000 ] - [ 0.0077226500000000, 0.0171970700000000, 0.0091226000000000 ] - [ 0.0002559600000000, -0.0004805600000000, -0.0000216400000000 ] - [ 0.0072639700000000, -0.0174034500000000, 0.0093309900000000 ] - [ 0.0002567700000000, 0.0001936500000000, -0.0000140400000000 ] - [ -0.0050773500000000, 0.0035992800000000, 0.0024167300000000 ] - [ -0.0000752100000000, 0.0000339000000000, 0.0001686900000000 ] - [ -0.0050773800000000, -0.0036772000000000, 0.0022647000000000 ] - [ -0.0000699100000000, -0.0000424800000000, 0.0001812500000000 ] - [ -0.0007321900000000, 0.0005613400000000, 0.0003975000000000 ] - [ -0.0010059700000000, -0.0008369100000000, 0.0004563700000000 ] - [ -0.0137372100000000, -0.0005832400000000, 0.0502946800000000 ] - [ 0.0002697300000000, 0.0000231300000000, 0.0000646500000000 ] - [ 0.0002817200000000, -0.0001922900000000, -0.0001619800000000 ] - [ 0.0002620600000000, 0.0001493400000000, -0.0001527400000000 ] - [ -0.0007840400000000, -0.0005889800000000, -0.0007289900000000 ] - [ -0.0007507100000000, 0.0006984300000000, -0.0007921500000000 ] - [ 0.2231593600000000, 0.0020285700000000, -0.5165337100000000 ] - [ 0.0000783500000000, -0.0000162100000000, 0.0001829800000000 ] - [ 0.0078808300000000, 0.0004343400000000, 0.0084563900000000 ] - [ -0.0001750000000000, 0.0001323900000000, 0.0001588500000000 ] - [ -0.0001439300000000, -0.0033346600000000, -0.0022647100000000 ] - [ -0.0000296400000000, 0.0032548300000000, -0.0023458800000000 ] - [ 0.0008702500000000, -0.0012386300000000, 0.0009915300000000 ] - [ 0.0008709100000000, 0.0011606800000000, 0.0010015800000000 ] - [ -0.0510493200000000, 0.0001748300000000, 0.0183238900000000 ] - [ 0.0001976400000000, 0.0001345900000000, -0.0001666100000000 ] - [ 0.0048682100000000, 0.0000355800000000, 0.0096539900000000 ] - [ 0.0000175800000000, -0.0000160900000000, -0.0002223600000000 ] - [ -0.0000489000000000, 0.0004666700000000, 0.0012470800000000 ] - [ -0.0000877000000000, -0.0004255100000000, 0.0013331100000000 ] - [ -0.0089665400000000, -0.0100899400000000, 0.0000276900000000 ] - [ -0.0002405400000000, 0.0004232700000000, 0.0001652100000000 ] - [ 0.0001537500000000, -0.0000328600000000, 0.0004601900000000 ] - [ 0.0002060000000000, 0.0001017100000000, 0.0005333900000000 ] - [ 0.0170838700000000, -0.0002313400000000, 0.0067815400000000 ] - [ 0.0002021900000000, -0.0000045500000000, 0.0000260500000000 ] - [ 0.0067582000000000, -0.0014381600000000, 0.0017773900000000 ] - [ 0.0001362600000000, 0.0001514300000000, -0.0000065700000000 ] - [ 0.0057622400000000, 0.0012399800000000, 0.0016478700000000 ] - [ 0.0002595900000000, -0.0001520500000000, 0.0000510000000000 ] - [ 0.0004445100000000, 0.0030607700000000, 0.0026956900000000 ] - [ -0.0000099100000000, -0.0007136700000000, 0.0000274400000000 ] - [ 0.0003711700000000, -0.0027468700000000, 0.0028101500000000 ] - [ -0.0000371000000000, 0.0007809800000000, 0.0001947900000000 ] - [ 0.0010797000000000, -0.0008336400000000, 0.0009597500000000 ] - [ 0.0001840800000000, 0.0001248700000000, 0.0001534700000000 ] - [ 0.0011330800000000, 0.0007436500000000, 0.0010248300000000 ] - [ 0.0002025700000000, -0.0001543700000000, 0.0001667800000000 ] - [ -0.0297159400000000, -0.0015881900000000, 0.3078752900000000 ] - [ 0.0000150600000000, -0.0000454400000000, -0.0000135000000000 ] - [ -0.0009384200000000, -0.0001997700000000, 0.0014173800000000 ] - [ -0.0008714300000000, 0.0002299400000000, 0.0012608900000000 ] - [ -0.0000472000000000, 0.0007784500000000, -0.0024316300000000 ] - [ 0.0000137400000000, -0.0001448600000000, 0.0000028700000000 ] - [ 0.0000254800000000, -0.0009365600000000, -0.0022425900000000 ] - [ 0.0000156900000000, 0.0000223300000000, -0.0000329100000000 ] - [ -0.0111126800000000, 0.0216799000000000, 0.0435225300000000 ] - [ -0.0000742900000000, 0.0000329900000000, 0.0001503800000000 ] - [ -0.0095212600000000, -0.0235732500000000, 0.0438413800000000 ] - [ -0.0001026400000000, 0.0000515500000000, 0.0000659600000000 ] - [ -0.0008912100000000, -0.0011423600000000, -0.0005571700000000 ] - [ -0.0000875600000000, 0.0003270500000000, 0.0000190100000000 ] - [ -0.0010782800000000, 0.0012635600000000, -0.0005850600000000 ] - [ -0.0001662100000000, -0.0003327200000000, -0.0000151900000000 ] - [ -0.1557312400000000, 0.0016954700000000, 0.0726161500000000 ] - [ -0.0003358400000000, -0.0000102100000000, -0.0000105900000000 ] - [ -0.0004546200000000, -0.0001259200000000, -0.0005815200000000 ] - [ -0.0004796000000000, 0.0001031100000000, -0.0005617500000000 ] - [ 0.0006513900000000, -0.0007680400000000, 0.0006387200000000 ] - [ 0.0006933400000000, 0.0006954300000000, 0.0006179000000000 ] - [ -0.0049467300000000, -0.0000559300000000, -0.0017085700000000 ] - [ 0.0002684500000000, -0.0000104200000000, 0.0000345100000000 ] - [ 0.0000270600000000, -0.0037382600000000, -0.0000806900000000 ] - [ -0.0001917100000000, 0.0010051000000000, 0.0000229700000000 ] - [ 0.0001867600000000, 0.0038087900000000, -0.0000562700000000 ] - [ -0.0001318000000000, -0.0010002500000000, 0.0000751000000000 ] - [ -0.0016933400000000, -0.0020485300000000, -0.0056481400000000 ] - [ -0.0000178800000000, 0.0000911200000000, -0.0001601900000000 ] - [ -0.0015790700000000, 0.0020676100000000, -0.0056059700000000 ] - [ 0.0000092200000000, -0.0000017200000000, -0.0000678500000000 ] - [ 0.0097537400000000, -0.0076645500000000, -0.0082704700000000 ] - [ 0.0000393400000000, -0.0001315600000000, -0.0000561500000000 ] - [ 0.0100021500000000, 0.0080463800000000, -0.0083268200000000 ] - [ 0.0000350000000000, 0.0000065800000000, -0.0000236700000000 ] - [ 0.0000995200000000, -0.0002080600000000, -0.0004274200000000 ] - [ 0.0001188800000000, 0.0002070300000000, -0.0003618400000000 ] - [ 0.0011797200000000, 0.0000174200000000, -0.0027859300000000 ] - [ -0.0000222500000000, -0.0000457600000000, 0.0000194100000000 ] - [ 0.0004525600000000, 0.0009302000000000, -0.0025481200000000 ] - [ 0.0001174300000000, 0.0001535000000000, -0.0004479700000000 ] - [ 0.0005309900000000, -0.0010625200000000, -0.0026067400000000 ] - [ 0.0001323100000000, -0.0001581800000000, -0.0004104900000000 ] - [ 0.0028152300000000, 0.0025009700000000, -0.0016067500000000 ] - [ 0.0001999000000000, -0.0002526300000000, -0.0001294800000000 ] - [ 0.0021433000000000, -0.0017789700000000, -0.0014967800000000 ] - [ 0.0001975300000000, 0.0003354800000000, -0.0002166400000000 ] - [ 0.0087557300000000, 0.0076066900000000, -0.0084709800000000 ] - [ -0.0001392200000000, -0.0001364800000000, -0.0000928100000000 ] - [ 0.0088259700000000, -0.0068030900000000, -0.0106531800000000 ] - [ -0.0000286000000000, 0.0001417000000000, -0.0000235100000000 ] - [ -0.0054363700000000, 0.0002382300000000, -0.0142745500000000 ] - [ -0.0001920600000000, -0.0000076700000000, -0.0000313300000000 ] - [ -0.0001274000000000, -0.0006770700000000, -0.0005629400000000 ] - [ -0.0001838600000000, 0.0007729000000000, -0.0006147200000000 ]- atom: 31 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0006601800000000, 0.0016241100000000, 0.0047166600000000 ] - [ 0.0000320900000000, -0.0000113400000000, 0.0003478500000000 ] - [ -0.0011160800000000, -0.0015052100000000, 0.0046156900000000 ] - [ 0.0000668800000000, 0.0000144100000000, 0.0003283200000000 ] - [ 0.0025697100000000, -0.0015890400000000, -0.0076104100000000 ] - [ 0.0001520700000000, 0.0001124400000000, -0.0004114300000000 ] - [ 0.0026900900000000, 0.0012001300000000, -0.0073927200000000 ] - [ 0.0001187800000000, -0.0001005500000000, -0.0003710600000000 ] - [ 0.0113238600000000, 0.0005819700000000, 0.0041502000000000 ] - [ -0.0000517900000000, 0.0000095900000000, -0.0000184000000000 ] - [ 0.0076457300000000, -0.0085304900000000, -0.0007567300000000 ] - [ 0.0001792200000000, 0.0005213300000000, -0.0001177300000000 ] - [ -0.0012797800000000, -0.0024563800000000, 0.0007992600000000 ] - [ -0.0015371100000000, 0.0027471700000000, 0.0009796900000000 ] - [ -0.0077898300000000, -0.0175921300000000, -0.0090582100000000 ] - [ -0.0002575200000000, 0.0002098800000000, 0.0000230900000000 ] - [ -0.0073307700000000, 0.0172143000000000, -0.0092663100000000 ] - [ -0.0002580700000000, -0.0005025000000000, 0.0000144600000000 ] - [ 0.0050947000000000, -0.0034024300000000, -0.0024213900000000 ] - [ 0.0000758400000000, 0.0001656300000000, -0.0001693100000000 ] - [ 0.0050946500000000, 0.0034462200000000, -0.0022706500000000 ] - [ 0.0000696800000000, -0.0001885900000000, -0.0001815700000000 ] - [ 0.0008979100000000, -0.0005345300000000, -0.0003783200000000 ] - [ 0.0011751400000000, 0.0008393300000000, -0.0004408600000000 ] - [ 0.0142028000000000, 0.0006158300000000, -0.0499186700000000 ] - [ 0.0000939900000000, 0.0000135200000000, 0.0000116600000000 ] - [ -0.0002846900000000, 0.0001431700000000, 0.0001614500000000 ] - [ -0.0002650400000000, -0.0002024400000000, 0.0001527700000000 ] - [ 0.0008319300000000, 0.0006033500000000, 0.0011400600000000 ] - [ 0.0007980400000000, -0.0006900500000000, 0.0012030300000000 ] - [ -0.2333954800000000, -0.0017914100000000, 0.4998926600000000 ] - [ -0.0000361200000000, 0.0000071300000000, 0.0005267700000000 ] - [ -0.0083552600000000, -0.0001814800000000, -0.0082787900000000 ] - [ -0.0002810900000000, 0.0001238500000000, 0.0000015300000000 ] - [ -0.0000526100000000, 0.0033694400000000, 0.0020874300000000 ] - [ -0.0001640200000000, -0.0032118400000000, 0.0021657900000000 ] - [ -0.0006781900000000, 0.0012689100000000, -0.0007984300000000 ] - [ -0.0006825300000000, -0.0011128500000000, -0.0008015000000000 ] - [ 0.0518379800000000, 0.0000737300000000, -0.0184664300000000 ] - [ 0.0002579100000000, 0.0001223000000000, 0.0000060400000000 ] - [ -0.0049872400000000, -0.0000485500000000, -0.0104201600000000 ] - [ -0.0000606700000000, 0.0000076300000000, -0.0004879100000000 ] - [ 0.0000024900000000, -0.0004528800000000, -0.0016619100000000 ] - [ 0.0000422900000000, 0.0004337300000000, -0.0017481900000000 ] - [ 0.0089699800000000, 0.0101015100000000, -0.0000201900000000 ] - [ 0.0002416300000000, -0.0003582400000000, -0.0001664300000000 ] - [ -0.0004243400000000, 0.0001023700000000, -0.0004951800000000 ] - [ -0.0004794600000000, -0.0000283800000000, -0.0005668900000000 ] - [ -0.0167549900000000, 0.0002201800000000, -0.0068495300000000 ] - [ 0.0000758900000000, -0.0000075700000000, -0.0001167400000000 ] - [ -0.0066963900000000, 0.0014987700000000, -0.0019253700000000 ] - [ -0.0001090500000000, -0.0000662700000000, -0.0001466700000000 ] - [ -0.0054884000000000, -0.0012780200000000, -0.0016865900000000 ] - [ -0.0000045700000000, 0.0000905200000000, -0.0000906300000000 ] - [ -0.0006704300000000, -0.0030300900000000, -0.0026927900000000 ] - [ -0.0002005500000000, 0.0007287400000000, -0.0000414000000000 ] - [ -0.0005374900000000, 0.0026917000000000, -0.0027923400000000 ] - [ -0.0001152800000000, -0.0008223800000000, -0.0001915700000000 ] - [ -0.0011608200000000, 0.0006626500000000, -0.0007605400000000 ] - [ -0.0002647100000000, -0.0002985800000000, 0.0000435600000000 ] - [ -0.0011815900000000, -0.0005517100000000, -0.0007800800000000 ] - [ -0.0002513000000000, 0.0003510700000000, 0.0000724100000000 ] - [ 0.0301010000000000, 0.0013870500000000, -0.2905739800000000 ] - [ 0.0000931000000000, -0.0000505900000000, -0.0002091500000000 ] - [ 0.0009134800000000, 0.0002225900000000, -0.0020439100000000 ] - [ 0.0008443900000000, -0.0001958400000000, -0.0018899600000000 ] - [ 0.0000816700000000, -0.0011547700000000, 0.0024922300000000 ] - [ 0.0000297800000000, -0.0002256400000000, 0.0000567100000000 ] - [ 0.0000038700000000, 0.0010704500000000, 0.0022331800000000 ] - [ 0.0000230100000000, 0.0001029800000000, 0.0000217200000000 ] - [ 0.0114247700000000, -0.0208908100000000, -0.0427201400000000 ] - [ 0.0000530900000000, -0.0001019800000000, -0.0001077500000000 ] - [ 0.0097819000000000, 0.0229096100000000, -0.0431943700000000 ] - [ 0.0000505500000000, 0.0001378600000000, -0.0002053300000000 ] - [ 0.0009616100000000, 0.0011344700000000, 0.0004792000000000 ] - [ 0.0001681500000000, -0.0002983900000000, -0.0000694800000000 ] - [ 0.0009884400000000, -0.0012971500000000, 0.0004681300000000 ] - [ 0.0000869500000000, 0.0002644000000000, -0.0000731700000000 ] - [ 0.1640832900000000, -0.0018460000000000, -0.0747776100000000 ] - [ -0.0002764100000000, -0.0000167000000000, -0.0001122000000000 ] - [ 0.0004921100000000, 0.0000929900000000, 0.0003775500000000 ] - [ 0.0005180400000000, -0.0001326800000000, 0.0003578400000000 ] - [ -0.0006918800000000, 0.0007375400000000, -0.0004377600000000 ] - [ -0.0007341900000000, -0.0007269600000000, -0.0004157900000000 ] - [ 0.0056027300000000, 0.0000307100000000, 0.0018135700000000 ] - [ 0.0003440000000000, -0.0000158100000000, 0.0000880300000000 ] - [ -0.0000983500000000, 0.0037690400000000, 0.0001071400000000 ] - [ 0.0001116900000000, -0.0009809100000000, 0.0000263900000000 ] - [ -0.0000939900000000, -0.0038767100000000, 0.0001205700000000 ] - [ 0.0002137800000000, 0.0009361100000000, 0.0000094200000000 ] - [ 0.0017428900000000, 0.0020135100000000, 0.0056232000000000 ] - [ 0.0000406900000000, -0.0001599000000000, 0.0001154600000000 ] - [ 0.0016592600000000, -0.0019097000000000, 0.0057660200000000 ] - [ 0.0000416000000000, 0.0001918300000000, 0.0002083800000000 ] - [ -0.0098186300000000, 0.0072927500000000, 0.0081900500000000 ] - [ -0.0000839200000000, -0.0002389700000000, -0.0000027200000000 ] - [ -0.0100613300000000, -0.0079165100000000, 0.0083163100000000 ] - [ -0.0000727700000000, 0.0001190700000000, 0.0000345400000000 ] - [ -0.0000676900000000, 0.0002384800000000, 0.0010468900000000 ] - [ -0.0000859700000000, -0.0001788900000000, 0.0009848000000000 ] - [ -0.0012716600000000, -0.0001118400000000, 0.0030241600000000 ] - [ -0.0000852500000000, -0.0000501900000000, 0.0002034900000000 ] - [ -0.0004090300000000, -0.0007374900000000, 0.0023060900000000 ] - [ -0.0000691000000000, 0.0000428000000000, 0.0002084500000000 ] - [ -0.0004570500000000, 0.0008923100000000, 0.0024119500000000 ] - [ -0.0000532000000000, -0.0000155700000000, 0.0002155300000000 ] - [ -0.0026039800000000, -0.0024676900000000, 0.0016206600000000 ] - [ 0.0000077300000000, 0.0002652000000000, 0.0001435000000000 ] - [ -0.0019912200000000, 0.0017191000000000, 0.0014963500000000 ] - [ -0.0000459100000000, -0.0003750900000000, 0.0002145800000000 ] - [ -0.0090199700000000, -0.0076578100000000, 0.0084991000000000 ] - [ -0.0001166200000000, 0.0000737500000000, 0.0001330900000000 ] - [ -0.0088680200000000, 0.0068799000000000, 0.0107901500000000 ] - [ 0.0000006900000000, -0.0000559400000000, 0.0001768600000000 ] - [ 0.0051631000000000, -0.0002503300000000, 0.0144079100000000 ] - [ -0.0000857600000000, -0.0000049100000000, 0.0001222700000000 ] - [ 0.0003985000000000, 0.0007479800000000, 0.0006010200000000 ] - [ 0.0004582500000000, -0.0007014700000000, 0.0006505400000000 ]- atom: 33 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0053075400000000, -0.0013035900000000, 0.0001060300000000 ] - [ -0.0002689700000000, 0.0000634300000000, 0.0001610000000000 ] - [ -0.0053435100000000, 0.0010308400000000, -0.0005515200000000 ] - [ -0.0002709000000000, -0.0000482700000000, 0.0001373100000000 ] - [ 0.0087817600000000, -0.0001143700000000, -0.0002097600000000 ] - [ 0.0004023100000000, -0.0000049300000000, -0.0000658400000000 ] - [ 0.0084679200000000, 0.0000542300000000, -0.0004388200000000 ] - [ 0.0004157500000000, 0.0000391400000000, -0.0000139900000000 ] - [ 0.0023019900000000, -0.0001779600000000, -0.0126361700000000 ] - [ -0.0001741900000000, 0.0000331300000000, -0.0001350300000000 ] - [ 0.0036176500000000, -0.0016274600000000, 0.0017267600000000 ] - [ 0.0001348200000000, 0.0001156100000000, -0.0000488800000000 ] - [ 0.0000059400000000, -0.0001923800000000, 0.0008353000000000 ] - [ -0.0000126800000000, 0.0002558900000000, 0.0009625700000000 ] - [ 0.0053830200000000, -0.0125881100000000, 0.0087843800000000 ] - [ 0.0001293200000000, 0.0001808900000000, 0.0000935500000000 ] - [ 0.0048026400000000, 0.0120682000000000, 0.0085187900000000 ] - [ 0.0001476300000000, -0.0004666300000000, 0.0001011300000000 ] - [ 0.0065996200000000, 0.0186283100000000, -0.0104015000000000 ] - [ -0.0000914300000000, -0.0002803700000000, -0.0002012500000000 ] - [ 0.0068865000000000, -0.0179790900000000, -0.0091163900000000 ] - [ -0.0001084700000000, 0.0003250400000000, -0.0002434000000000 ] - [ 0.0004288500000000, 0.0010490600000000, -0.0007937500000000 ] - [ 0.0006248700000000, -0.0009725600000000, -0.0008863400000000 ] - [ 0.0264085100000000, -0.0003389500000000, 0.0255563200000000 ] - [ 0.0001817000000000, 0.0000432800000000, 0.0001255400000000 ] - [ -0.0003861000000000, -0.0000872700000000, -0.0001060200000000 ] - [ -0.0003277000000000, 0.0000225300000000, -0.0000833400000000 ] - [ 0.0008176000000000, -0.0015402900000000, -0.0010519500000000 ] - [ 0.0007699700000000, 0.0015381000000000, -0.0010417300000000 ] - [ 0.0063064000000000, -0.0000880000000000, 0.0132972300000000 ] - [ 0.0001131100000000, 0.0000080500000000, 0.0004562600000000 ] - [ -0.5206623200000000, -0.0054860200000000, -0.0433937900000000 ] - [ -0.0004211000000000, 0.0001478100000000, 0.0001412500000000 ] - [ 0.0012197500000000, 0.0012466600000000, 0.0008115100000000 ] - [ 0.0012991400000000, -0.0011403100000000, 0.0009153400000000 ] - [ -0.0020568500000000, 0.0025476500000000, -0.0006218400000000 ] - [ -0.0022732100000000, -0.0025649800000000, -0.0006181900000000 ] - [ 0.0101617500000000, 0.0000303500000000, -0.0090499000000000 ] - [ 0.0003556700000000, 0.0001505200000000, -0.0002015500000000 ] - [ 0.0679143000000000, 0.0003472000000000, -0.0211075700000000 ] - [ -0.0001007300000000, 0.0000063400000000, -0.0004225500000000 ] - [ -0.0018052500000000, -0.0031918100000000, 0.0007220200000000 ] - [ -0.0020057400000000, 0.0035107300000000, 0.0006744800000000 ] - [ 0.0045568700000000, 0.0024545700000000, 0.0023241700000000 ] - [ 0.0001749900000000, 0.0001621400000000, -0.0000802900000000 ] - [ -0.0003686700000000, 0.0000794600000000, 0.0008506900000000 ] - [ -0.0003863600000000, -0.0000035000000000, 0.0008649400000000 ] - [ 0.0003405600000000, 0.0000392300000000, 0.0058609500000000 ] - [ 0.0001417200000000, -0.0000103800000000, 0.0000169700000000 ] - [ -0.0014700100000000, -0.0008908400000000, 0.0021973400000000 ] - [ 0.0000202600000000, 0.0000178100000000, -0.0000316800000000 ] - [ -0.0016827900000000, 0.0010139400000000, 0.0015980800000000 ] - [ 0.0001349900000000, -0.0000448700000000, 0.0000351800000000 ] - [ -0.0003311000000000, -0.0003292300000000, -0.0011644800000000 ] - [ -0.0001532100000000, 0.0000247200000000, -0.0000725600000000 ] - [ -0.0001000400000000, 0.0001740700000000, -0.0010241600000000 ] - [ -0.0001143100000000, -0.0000790000000000, -0.0001216700000000 ] - [ -0.0003961900000000, -0.0019328900000000, 0.0017650500000000 ] - [ -0.0000098900000000, 0.0003214300000000, 0.0002039200000000 ] - [ -0.0004387000000000, 0.0020746700000000, 0.0018547200000000 ] - [ 0.0000151900000000, -0.0003075100000000, 0.0002303900000000 ] - [ -0.0017974700000000, 0.0000829800000000, -0.0126366300000000 ] - [ 0.0000580100000000, -0.0000561500000000, -0.0001952700000000 ] - [ -0.0001130100000000, 0.0003173600000000, -0.0010173500000000 ] - [ -0.0000733400000000, -0.0002665500000000, -0.0009265600000000 ] - [ 0.0414237200000000, 0.0176198900000000, -0.0077864500000000 ] - [ 0.0001694500000000, -0.0001216700000000, 0.0000346400000000 ] - [ 0.0416335000000000, -0.0199276700000000, -0.0082183300000000 ] - [ 0.0001806200000000, -0.0000318800000000, -0.0000007500000000 ] - [ -0.0021282700000000, 0.0009753500000000, -0.0072670000000000 ] - [ -0.0000269600000000, -0.0001495900000000, -0.0000749800000000 ] - [ -0.0022576600000000, -0.0008837200000000, -0.0072654900000000 ] - [ -0.0000345400000000, 0.0001865400000000, -0.0001674000000000 ] - [ 0.0029265600000000, 0.0027860900000000, -0.0012367500000000 ] - [ 0.0002201300000000, -0.0007031100000000, -0.0001105600000000 ] - [ 0.0029997000000000, -0.0027734800000000, -0.0012458300000000 ] - [ 0.0001677500000000, 0.0006934400000000, -0.0001314700000000 ] - [ -0.0057373000000000, 0.0000198200000000, -0.0004496000000000 ] - [ -0.0004360800000000, -0.0000210600000000, -0.0000408300000000 ] - [ 0.0021989200000000, -0.0004300000000000, 0.0002440600000000 ] - [ 0.0020005800000000, 0.0003397000000000, 0.0001994400000000 ] - [ -0.0011671800000000, -0.0003018800000000, 0.0000938300000000 ] - [ -0.0011457900000000, 0.0002293100000000, 0.0000772100000000 ] - [ 0.2375944800000000, -0.0010221600000000, -0.0669071000000000 ] - [ 0.0004434400000000, -0.0000199300000000, 0.0000393900000000 ] - [ -0.0024712100000000, 0.0026925500000000, -0.0014588100000000 ] - [ -0.0002586400000000, -0.0003803700000000, -0.0000373600000000 ] - [ -0.0022981200000000, -0.0026339800000000, -0.0013779900000000 ] - [ -0.0001931200000000, 0.0003519300000000, -0.0000380300000000 ] - [ -0.0176045400000000, 0.0103656400000000, -0.0027154800000000 ] - [ -0.0000206900000000, -0.0001447700000000, 0.0000203000000000 ] - [ -0.0174485000000000, -0.0105368200000000, -0.0027975300000000 ] - [ -0.0000185300000000, 0.0001840600000000, 0.0001132300000000 ] - [ -0.0058840000000000, -0.0022099900000000, 0.0036567900000000 ] - [ -0.0001483200000000, -0.0000763700000000, 0.0000407300000000 ] - [ -0.0053835100000000, 0.0021004500000000, 0.0033625000000000 ] - [ -0.0001498500000000, -0.0000802000000000, 0.0000889600000000 ] - [ 0.0003114800000000, 0.0011330600000000, 0.0007150000000000 ] - [ 0.0002501500000000, -0.0008686700000000, 0.0006637300000000 ] - [ -0.0126780900000000, -0.0000783500000000, 0.0186950600000000 ] - [ -0.0000661500000000, -0.0000548600000000, 0.0001828800000000 ] - [ -0.0005506200000000, 0.0038015500000000, -0.0007928100000000 ] - [ 0.0000849700000000, -0.0009676200000000, 0.0000708300000000 ] - [ -0.0006697900000000, -0.0042114700000000, -0.0007083100000000 ] - [ 0.0000791700000000, 0.0008592900000000, 0.0000414300000000 ] - [ -0.0022432000000000, -0.0003482800000000, 0.0010590000000000 ] - [ -0.0001082100000000, -0.0002618300000000, 0.0000891100000000 ] - [ -0.0021112100000000, -0.0001116700000000, 0.0009775400000000 ] - [ -0.0002017300000000, 0.0001895400000000, 0.0000726900000000 ] - [ -0.0079140700000000, -0.0042811500000000, -0.0031149700000000 ] - [ -0.0002330000000000, -0.0000558600000000, -0.0000422500000000 ] - [ -0.0090373100000000, 0.0045129600000000, -0.0030771900000000 ] - [ -0.0001103000000000, 0.0000094000000000, 0.0000143600000000 ] - [ 0.1458586600000000, 0.0085590000000000, 0.1368201400000000 ] - [ -0.0001001400000000, -0.0000072900000000, 0.0000266800000000 ] - [ 0.0005905300000000, 0.0006069900000000, -0.0007492500000000 ] - [ 0.0006335400000000, -0.0006119700000000, -0.0008044400000000 ]- atom: 33 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0052375100000000, 0.0013576400000000, 0.0000003400000000 ] - [ 0.0002412900000000, -0.0000117100000000, -0.0000452000000000 ] - [ 0.0052750900000000, -0.0010810200000000, 0.0005733800000000 ] - [ 0.0002445900000000, 0.0000039000000000, -0.0001059900000000 ] - [ -0.0087453800000000, 0.0001292000000000, 0.0000549600000000 ] - [ -0.0003664200000000, 0.0000519900000000, -0.0000635900000000 ] - [ -0.0084496500000000, -0.0000668800000000, 0.0003986000000000 ] - [ -0.0003982200000000, -0.0000819600000000, -0.0000048100000000 ] - [ -0.0026226500000000, 0.0002055700000000, 0.0125283000000000 ] - [ -0.0001818600000000, -0.0000056100000000, 0.0000496200000000 ] - [ -0.0036250700000000, 0.0019794900000000, -0.0017397500000000 ] - [ -0.0001348500000000, 0.0002350300000000, 0.0000488400000000 ] - [ -0.0001727000000000, 0.0002158000000000, -0.0008502700000000 ] - [ -0.0001581500000000, -0.0002364300000000, -0.0009746100000000 ] - [ -0.0053796000000000, 0.0122395900000000, -0.0087800200000000 ] - [ -0.0001317400000000, -0.0004754800000000, -0.0000930900000000 ] - [ -0.0047995000000000, -0.0123046200000000, -0.0085139300000000 ] - [ -0.0001497400000000, 0.0001788200000000, -0.0001018200000000 ] - [ -0.0064862600000000, -0.0185875500000000, 0.0104213300000000 ] - [ 0.0000936900000000, 0.0004543300000000, 0.0002011500000000 ] - [ -0.0067762800000000, 0.0178935000000000, 0.0091340000000000 ] - [ 0.0001094100000000, -0.0005324500000000, 0.0002433400000000 ] - [ -0.0002654300000000, -0.0010237800000000, 0.0008112300000000 ] - [ -0.0004568600000000, 0.0009892900000000, 0.0009014100000000 ] - [ -0.0260446000000000, 0.0003521900000000, -0.0256656700000000 ] - [ 0.0001753000000000, -0.0000155000000000, -0.0000397500000000 ] - [ 0.0003854300000000, 0.0000376100000000, 0.0001089600000000 ] - [ 0.0003271500000000, -0.0000765100000000, 0.0000863800000000 ] - [ -0.0007623100000000, 0.0015527700000000, 0.0014545300000000 ] - [ -0.0007146300000000, -0.0015111400000000, 0.0014436800000000 ] - [ -0.0062738600000000, 0.0000668200000000, -0.0125466600000000 ] - [ -0.0000822200000000, -0.0000262300000000, 0.0002275400000000 ] - [ 0.5070377500000000, 0.0063394400000000, 0.0575119500000000 ] - [ -0.0000396300000000, 0.0001004200000000, 0.0000459100000000 ] - [ -0.0014009400000000, -0.0011829900000000, -0.0009920700000000 ] - [ -0.0014771800000000, 0.0011704600000000, -0.0011011600000000 ] - [ 0.0022291800000000, -0.0025006800000000, 0.0008040100000000 ] - [ 0.0024408300000000, 0.0026123600000000, 0.0008061200000000 ] - [ -0.0097420900000000, 0.0002154600000000, 0.0089678500000000 ] - [ 0.0001051500000000, 0.0000987700000000, 0.0000143600000000 ] - [ -0.0675318600000000, -0.0003732400000000, 0.0202112000000000 ] - [ 0.0000685300000000, -0.0000236800000000, -0.0002618800000000 ] - [ 0.0017695300000000, 0.0032044000000000, -0.0011244200000000 ] - [ 0.0019721600000000, -0.0034838800000000, -0.0010765100000000 ] - [ -0.0045635000000000, -0.0024202500000000, -0.0023356700000000 ] - [ -0.0001747500000000, -0.0001245800000000, 0.0000791700000000 ] - [ 0.0000832800000000, -0.0000048300000000, -0.0008648600000000 ] - [ 0.0000972000000000, 0.0000753500000000, -0.0008796400000000 ] - [ -0.0000925200000000, -0.0000466300000000, -0.0059744500000000 ] - [ 0.0001368500000000, 0.0000004600000000, -0.0000982000000000 ] - [ 0.0014952200000000, 0.0009745500000000, -0.0023289900000000 ] - [ 0.0000053300000000, 0.0000623800000000, -0.0001199000000000 ] - [ 0.0019375800000000, -0.0010740600000000, -0.0016229100000000 ] - [ 0.0001200900000000, -0.0000134000000000, -0.0000727200000000 ] - [ 0.0001212900000000, 0.0003477500000000, 0.0011488600000000 ] - [ -0.0000580100000000, -0.0000096700000000, 0.0000564800000000 ] - [ -0.0000492000000000, -0.0002228600000000, 0.0010288100000000 ] - [ -0.0000379400000000, 0.0000332800000000, 0.0001255400000000 ] - [ 0.0002926600000000, 0.0017300900000000, -0.0015478700000000 ] - [ -0.0000697800000000, -0.0004912000000000, -0.0000104900000000 ] - [ 0.0003635200000000, -0.0018496600000000, -0.0015975700000000 ] - [ -0.0000672300000000, 0.0005014300000000, 0.0000021500000000 ] - [ 0.0019008700000000, -0.0001718900000000, 0.0123501800000000 ] - [ 0.0000587400000000, -0.0000370900000000, -0.0000181100000000 ] - [ 0.0000855800000000, -0.0002848500000000, 0.0003844500000000 ] - [ 0.0000450000000000, 0.0002907800000000, 0.0002855100000000 ] - [ -0.0409322400000000, -0.0172234900000000, 0.0072486100000000 ] - [ -0.0001229100000000, -0.0002452100000000, 0.0000229700000000 ] - [ -0.0411140700000000, 0.0192610300000000, 0.0076417800000000 ] - [ -0.0001412800000000, 0.0001533600000000, -0.0000133900000000 ] - [ 0.0021004500000000, -0.0010232400000000, 0.0072820800000000 ] - [ 0.0000054900000000, 0.0000844000000000, 0.0001228000000000 ] - [ 0.0022011500000000, 0.0010541300000000, 0.0070935500000000 ] - [ -0.0000129600000000, -0.0000020300000000, 0.0000290400000000 ] - [ -0.0028234200000000, -0.0027520200000000, 0.0011946000000000 ] - [ -0.0001386500000000, 0.0007303100000000, 0.0000638600000000 ] - [ -0.0030536000000000, 0.0026990500000000, 0.0011612500000000 ] - [ -0.0002411200000000, -0.0007604200000000, 0.0000448300000000 ] - [ 0.0051419500000000, -0.0000455800000000, 0.0003031400000000 ] - [ -0.0001784500000000, -0.0000056800000000, -0.0000820100000000 ] - [ -0.0021570000000000, 0.0003910400000000, -0.0004452600000000 ] - [ -0.0019573500000000, -0.0003646800000000, -0.0004008100000000 ] - [ 0.0011163800000000, 0.0002730600000000, 0.0001031700000000 ] - [ 0.0010942200000000, -0.0002625200000000, 0.0001209100000000 ] - [ -0.2214038200000000, 0.0009030500000000, 0.0615835800000000 ] - [ 0.0001712200000000, -0.0000062600000000, 0.0000831000000000 ] - [ 0.0023938100000000, -0.0026456300000000, 0.0015023200000000 ] - [ 0.0001792200000000, 0.0004030300000000, 0.0000859000000000 ] - [ 0.0023789800000000, 0.0025477600000000, 0.0014619400000000 ] - [ 0.0002705100000000, -0.0004148000000000, 0.0001247600000000 ] - [ 0.0176320000000000, -0.0104328800000000, 0.0026822800000000 ] - [ 0.0000452600000000, 0.0000793100000000, -0.0000702800000000 ] - [ 0.0174966400000000, 0.0107254000000000, 0.0029525600000000 ] - [ 0.0000649900000000, 0.0000011100000000, 0.0000268100000000 ] - [ 0.0058487200000000, 0.0018901000000000, -0.0037473100000000 ] - [ 0.0001000600000000, -0.0002911700000000, -0.0000982900000000 ] - [ 0.0053540600000000, -0.0020209800000000, -0.0033837700000000 ] - [ 0.0001119000000000, 0.0002019500000000, -0.0000746900000000 ] - [ -0.0002791100000000, -0.0011032000000000, -0.0000864800000000 ] - [ -0.0002172500000000, 0.0008942100000000, -0.0000265000000000 ] - [ 0.0125595100000000, -0.0000136800000000, -0.0184906400000000 ] - [ -0.0000499500000000, -0.0000383700000000, 0.0000306200000000 ] - [ 0.0005753500000000, -0.0036066000000000, 0.0005605700000000 ] - [ -0.0000358500000000, 0.0011642700000000, -0.0003039900000000 ] - [ 0.0007205300000000, 0.0040423100000000, 0.0005211600000000 ] - [ -0.0000036000000000, -0.0010325400000000, -0.0002334600000000 ] - [ 0.0024541500000000, 0.0003664200000000, -0.0010375600000000 ] - [ 0.0003181200000000, 0.0002755500000000, -0.0000733700000000 ] - [ 0.0022657300000000, 0.0000605800000000, -0.0009759000000000 ] - [ 0.0003554400000000, -0.0002347700000000, -0.0000768500000000 ] - [ 0.0076493000000000, 0.0042267100000000, 0.0031767800000000 ] - [ -0.0000218000000000, -0.0000031500000000, 0.0000812400000000 ] - [ 0.0090047000000000, -0.0044377800000000, 0.0032589500000000 ] - [ 0.0000844900000000, 0.0000713100000000, 0.0001372700000000 ] - [ -0.1499461100000000, -0.0090284900000000, -0.1436799700000000 ] - [ -0.0001784500000000, -0.0000031800000000, 0.0000541300000000 ] - [ -0.0003095300000000, -0.0005330200000000, 0.0007656400000000 ] - [ -0.0003489700000000, 0.0006832700000000, 0.0008208100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0092426000000000, 0.0073660800000000, -0.0149289800000000 ] - [ 0.0003203900000000, 0.0028714100000000, 0.0004876600000000 ] - [ 0.0093818300000000, 0.0072368900000000, 0.0155121700000000 ] - [ -0.0002956700000000, 0.0028821500000000, -0.0003911300000000 ] - [ 0.0027703700000000, -0.0021824700000000, 0.0013394700000000 ] - [ -0.0004595100000000, 0.0025825800000000, -0.0001852500000000 ] - [ -0.0027683500000000, -0.0024927300000000, -0.0017100800000000 ] - [ 0.0004152500000000, 0.0025905800000000, 0.0000947500000000 ] - [ -0.0004477400000000, -0.0106594400000000, -0.0003734700000000 ] - [ -0.0001800800000000, 0.0035903500000000, -0.0000551100000000 ] - [ 0.0007181600000000, -0.0020901200000000, 0.0018383700000000 ] - [ 0.0000514500000000, 0.0033748600000000, -0.0000530400000000 ] - [ -0.0008984600000000, 0.0016191100000000, -0.0005433200000000 ] - [ 0.0006732000000000, 0.0014661100000000, 0.0004861400000000 ] - [ -0.0068930300000000, -0.0038920100000000, 0.0004018200000000 ] - [ 0.0006439200000000, 0.0041284900000000, 0.0000904500000000 ] - [ 0.0070477500000000, -0.0041595200000000, -0.0002117000000000 ] - [ -0.0006386200000000, 0.0041223300000000, -0.0001028500000000 ] - [ 0.0311197800000000, 0.0225757100000000, -0.0072029000000000 ] - [ -0.0003178900000000, 0.0050420600000000, 0.0001059900000000 ] - [ -0.0315338400000000, 0.0230761400000000, 0.0080711700000000 ] - [ 0.0003108500000000, 0.0048246900000000, -0.0000654500000000 ] - [ 0.0019735900000000, 0.0011845500000000, 0.0000690600000000 ] - [ -0.0017301800000000, 0.0010950800000000, -0.0000517400000000 ] - [ 0.0007879600000000, -0.0052116100000000, 0.0005581100000000 ] - [ 0.0001794000000000, 0.0035777900000000, 0.0000520800000000 ] - [ 0.0001124800000000, 0.0001442600000000, 0.0004099600000000 ] - [ -0.0000982200000000, 0.0001641600000000, -0.0004046700000000 ] - [ -0.0026714500000000, 0.0066357400000000, 0.0024709400000000 ] - [ 0.0027993500000000, 0.0066572000000000, -0.0019633600000000 ] - [ -0.0000304100000000, -0.0129522500000000, 0.0006704800000000 ] - [ -0.0000062200000000, 0.0042508100000000, 0.0003316200000000 ] - [ -0.0041723200000000, -0.4170974000000000, -0.0180819600000000 ] - [ -0.0002052200000000, 0.0050182900000000, 0.0001022300000000 ] - [ -0.0012807900000000, 0.0018997100000000, -0.0005783600000000 ] - [ 0.0010555700000000, 0.0019953300000000, 0.0004202100000000 ] - [ 0.0025933900000000, 0.0075536700000000, -0.0013247400000000 ] - [ -0.0025298700000000, 0.0073782800000000, 0.0015727100000000 ] - [ 0.0003378900000000, -0.0193658700000000, 0.0003051800000000 ] - [ 0.0002030700000000, 0.0047038000000000, -0.0001037600000000 ] - [ 0.0000044600000000, -0.0051732600000000, -0.0003787900000000 ] - [ 0.0000133200000000, 0.0042380100000000, -0.0003309500000000 ] - [ -0.0009518300000000, 0.0070603000000000, -0.0031688700000000 ] - [ 0.0011028800000000, 0.0067700100000000, 0.0025876500000000 ] - [ -0.0007783700000000, -0.0022454300000000, -0.0021217900000000 ] - [ -0.0000757200000000, 0.0037769400000000, 0.0000698500000000 ] - [ 0.0000677400000000, -0.0010703400000000, -0.0013815400000000 ] - [ -0.0003774000000000, -0.0010815800000000, 0.0013395600000000 ] - [ -0.0004474500000000, 0.0074045500000000, 0.0003124900000000 ] - [ 0.0001560700000000, -0.0017269400000000, -0.0000432400000000 ] - [ 0.0006678900000000, 0.0042182300000000, -0.0059381300000000 ] - [ -0.0005502500000000, -0.0024881200000000, 0.0000193500000000 ] - [ -0.0004281600000000, 0.0033375900000000, 0.0048286800000000 ] - [ 0.0008004700000000, -0.0025167700000000, 0.0000422900000000 ] - [ 0.0001740700000000, 0.0002601800000000, 0.0013651200000000 ] - [ 0.0006595100000000, -0.0020051500000000, -0.0002652300000000 ] - [ -0.0006283600000000, 0.0000693400000000, -0.0014855100000000 ] - [ -0.0006422400000000, -0.0019675300000000, 0.0001819000000000 ] - [ -0.0037605900000000, -0.0095575900000000, 0.0065980800000000 ] - [ -0.0002540100000000, -0.0039016200000000, 0.0006151000000000 ] - [ 0.0036315900000000, -0.0092390600000000, -0.0065560100000000 ] - [ 0.0001660000000000, -0.0037633800000000, -0.0004470600000000 ] - [ -0.0000802600000000, 0.0031457900000000, -0.0007079200000000 ] - [ 0.0000681700000000, -0.0015955200000000, -0.0000953300000000 ] - [ -0.0002575400000000, -0.0005329400000000, -0.0004469100000000 ] - [ 0.0002744600000000, -0.0005844900000000, -0.0001446700000000 ] - [ 0.0164321500000000, 0.1432176100000000, -0.0766032500000000 ] - [ -0.0004251500000000, -0.0034720900000000, 0.0008569500000000 ] - [ -0.0206633200000000, 0.1640786100000000, 0.0829763100000000 ] - [ 0.0004960400000000, -0.0032741500000000, -0.0008331900000000 ] - [ 0.0058225900000000, 0.0060635200000000, 0.0031344000000000 ] - [ -0.0006050400000000, -0.0029012500000000, -0.0008104600000000 ] - [ -0.0057354600000000, 0.0064493000000000, -0.0035036800000000 ] - [ 0.0005603800000000, -0.0027798800000000, 0.0007651500000000 ] - [ 0.0051494900000000, -0.0045907200000000, -0.0003336200000000 ] - [ -0.0008979000000000, -0.0037938100000000, -0.0009992000000000 ] - [ -0.0053310300000000, -0.0048039000000000, 0.0002759400000000 ] - [ 0.0009454000000000, -0.0038390600000000, 0.0008764600000000 ] - [ -0.0002402700000000, 0.0048871100000000, -0.0001804400000000 ] - [ -0.0002900600000000, -0.0015452200000000, -0.0000668800000000 ] - [ 0.0000960400000000, -0.0034128100000000, -0.0009493900000000 ] - [ -0.0000989500000000, -0.0033364100000000, 0.0006590200000000 ] - [ -0.0021162300000000, -0.0015161800000000, -0.0000728700000000 ] - [ 0.0020488900000000, -0.0015392500000000, 0.0002589400000000 ] - [ -0.0017230800000000, 0.0292954500000000, 0.0005792300000000 ] - [ 0.0002870700000000, -0.0016271600000000, 0.0000681100000000 ] - [ 0.0001721400000000, 0.0003911000000000, -0.0001894000000000 ] - [ 0.0003225700000000, -0.0021348200000000, 0.0006611200000000 ] - [ -0.0001825300000000, 0.0003761700000000, 0.0002129700000000 ] - [ -0.0003485100000000, -0.0022251300000000, -0.0005909300000000 ] - [ -0.0024725900000000, 0.0053065500000000, -0.0020442200000000 ] - [ 0.0004050500000000, -0.0027745900000000, 0.0007063500000000 ] - [ 0.0024722100000000, 0.0056914100000000, 0.0021943000000000 ] - [ -0.0003690900000000, -0.0026676600000000, -0.0006717000000000 ] - [ -0.0105841100000000, 0.0073477900000000, 0.0021896800000000 ] - [ 0.0005304700000000, -0.0032668500000000, -0.0008556300000000 ] - [ 0.0113783500000000, 0.0080599700000000, -0.0026170500000000 ] - [ -0.0005996100000000, -0.0030663100000000, 0.0008180900000000 ] - [ 0.0014807100000000, -0.0012447800000000, -0.0009356500000000 ] - [ -0.0014227100000000, -0.0013343400000000, 0.0015634200000000 ] - [ 0.0001100300000000, 0.0027467900000000, -0.0000304400000000 ] - [ -0.0000692800000000, -0.0015889700000000, 0.0000965700000000 ] - [ 0.0049431700000000, -0.0054542200000000, 0.0032182300000000 ] - [ -0.0009401600000000, -0.0034758400000000, 0.0005417900000000 ] - [ -0.0045272900000000, -0.0050568700000000, -0.0032118000000000 ] - [ 0.0010001000000000, -0.0037317700000000, -0.0007430600000000 ] - [ 0.0003683800000000, 0.0006555800000000, 0.0002054700000000 ] - [ -0.0007400700000000, -0.0018683200000000, 0.0002281300000000 ] - [ -0.0001469200000000, 0.0007686600000000, -0.0000713500000000 ] - [ 0.0007886200000000, -0.0018622900000000, -0.0001123800000000 ] - [ 0.0014651100000000, 0.0035917600000000, 0.0003087300000000 ] - [ -0.0007717300000000, -0.0025126900000000, -0.0000865400000000 ] - [ -0.0020755500000000, 0.0045431900000000, 0.0000048500000000 ] - [ 0.0005298300000000, -0.0024765400000000, 0.0000259800000000 ] - [ 0.0098244400000000, 0.0371817700000000, 0.0114586600000000 ] - [ -0.0001523400000000, -0.0017767100000000, 0.0000424300000000 ] - [ 0.0004657700000000, -0.0010354300000000, 0.0016461700000000 ] - [ -0.0002156300000000, -0.0010023200000000, -0.0015671500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0092128200000000, -0.0073366600000000, 0.0151256500000000 ] - [ -0.0003479600000000, -0.0028232200000000, -0.0003694600000000 ] - [ -0.0094155300000000, -0.0072646300000000, -0.0154057200000000 ] - [ 0.0002687200000000, -0.0029279000000000, 0.0004272100000000 ] - [ -0.0027519600000000, 0.0022471300000000, -0.0014718000000000 ] - [ 0.0004915000000000, -0.0025407300000000, 0.0000570500000000 ] - [ 0.0027712200000000, 0.0024295400000000, 0.0016849500000000 ] - [ -0.0004012100000000, -0.0026339000000000, -0.0001149800000000 ] - [ 0.0000852000000000, 0.0106921100000000, 0.0002915700000000 ] - [ -0.0001802600000000, -0.0035590200000000, -0.0000284100000000 ] - [ -0.0007226200000000, 0.0024138900000000, -0.0018388600000000 ] - [ -0.0000529700000000, -0.0030313700000000, 0.0000526500000000 ] - [ 0.0007188200000000, -0.0016073700000000, 0.0005202400000000 ] - [ -0.0008533900000000, -0.0014394200000000, -0.0005092300000000 ] - [ 0.0069213500000000, 0.0036523400000000, -0.0004083500000000 ] - [ -0.0006401600000000, -0.0044164800000000, -0.0000894600000000 ] - [ -0.0070193500000000, 0.0038171100000000, 0.0002060800000000 ] - [ 0.0006427800000000, -0.0044203000000000, 0.0001032400000000 ] - [ -0.0313030600000000, -0.0225196000000000, 0.0073848200000000 ] - [ 0.0003178200000000, -0.0048611600000000, -0.0000996300000000 ] - [ 0.0313704000000000, -0.0231595200000000, -0.0078855900000000 ] - [ -0.0003121000000000, -0.0050427400000000, 0.0000719100000000 ] - [ -0.0017916700000000, -0.0011748700000000, -0.0000561900000000 ] - [ 0.0019135700000000, -0.0010677300000000, 0.0000642900000000 ] - [ -0.0004742200000000, 0.0052553500000000, -0.0005046300000000 ] - [ 0.0001811200000000, -0.0035464900000000, 0.0000308600000000 ] - [ -0.0001116200000000, -0.0001949400000000, -0.0004125300000000 ] - [ 0.0000990300000000, -0.0002161300000000, 0.0004022700000000 ] - [ 0.0027211500000000, -0.0066285500000000, -0.0020672800000000 ] - [ -0.0027508900000000, -0.0066336000000000, 0.0023676900000000 ] - [ 0.0000559400000000, 0.0129373500000000, 0.0000203400000000 ] - [ 0.0000426200000000, -0.0042662200000000, 0.0003587300000000 ] - [ 0.0076063000000000, 0.4159902900000000, 0.0034763900000000 ] - [ -0.0002519100000000, -0.0047684000000000, 0.0000752200000000 ] - [ 0.0011003700000000, -0.0018628300000000, 0.0003869000000000 ] - [ -0.0012361700000000, -0.0019440400000000, -0.0006118200000000 ] - [ -0.0023955500000000, -0.0074819600000000, 0.0015095900000000 ] - [ 0.0027304600000000, -0.0073627200000000, -0.0013877100000000 ] - [ 0.0001536700000000, 0.0196153400000000, -0.0004827800000000 ] - [ 0.0002542700000000, -0.0044529200000000, -0.0000735600000000 ] - [ -0.0000742800000000, 0.0051585400000000, -0.0003159800000000 ] - [ -0.0000488700000000, -0.0042529800000000, -0.0003607500000000 ] - [ 0.0008990100000000, -0.0070219100000000, 0.0027530400000000 ] - [ -0.0011578900000000, -0.0067755600000000, -0.0030045100000000 ] - [ 0.0007722800000000, 0.0023117000000000, 0.0021202600000000 ] - [ 0.0000744300000000, -0.0037350500000000, -0.0000711500000000 ] - [ -0.0003621000000000, 0.0011487800000000, 0.0013773800000000 ] - [ 0.0000850500000000, 0.0011506400000000, -0.0013448800000000 ] - [ 0.0007161900000000, -0.0074128300000000, -0.0003637800000000 ] - [ 0.0001233100000000, 0.0017215300000000, -0.0000096100000000 ] - [ -0.0006387600000000, -0.0041356000000000, 0.0057766400000000 ] - [ 0.0005722700000000, 0.0025586800000000, -0.0001827800000000 ] - [ 0.0006915400000000, -0.0034056800000000, -0.0048664800000000 ] - [ -0.0005440200000000, 0.0024624900000000, -0.0000811400000000 ] - [ -0.0003778200000000, -0.0002573500000000, -0.0013882000000000 ] - [ -0.0008697800000000, 0.0020231600000000, 0.0002462100000000 ] - [ 0.0004858900000000, -0.0001077700000000, 0.0014768500000000 ] - [ 0.0004950900000000, 0.0019161800000000, -0.0001872500000000 ] - [ 0.0036716700000000, 0.0093316900000000, -0.0063880300000000 ] - [ 0.0001808300000000, 0.0037400300000000, -0.0004257500000000 ] - [ -0.0036964800000000, 0.0094916000000000, 0.0068109800000000 ] - [ -0.0002130200000000, 0.0039517000000000, 0.0006769300000000 ] - [ 0.0002074800000000, -0.0032359400000000, 0.0004907000000000 ] - [ 0.0000645900000000, 0.0015060800000000, -0.0001004100000000 ] - [ 0.0002265400000000, 0.0005592800000000, -0.0001860300000000 ] - [ -0.0003052400000000, 0.0006163000000000, -0.0004884400000000 ] - [ -0.0178872500000000, -0.1505563000000000, 0.0826940000000000 ] - [ 0.0004735300000000, 0.0031053900000000, -0.0007977300000000 ] - [ 0.0189819100000000, -0.1559032100000000, -0.0767423300000000 ] - [ -0.0004549200000000, 0.0033977600000000, 0.0008213400000000 ] - [ -0.0058545400000000, -0.0061536000000000, -0.0030888800000000 ] - [ 0.0005787700000000, 0.0028354200000000, 0.0008580300000000 ] - [ 0.0056799500000000, -0.0062406800000000, 0.0033622100000000 ] - [ -0.0006097400000000, 0.0029654500000000, -0.0009052800000000 ] - [ -0.0051008100000000, 0.0046331100000000, 0.0002779600000000 ] - [ 0.0009721800000000, 0.0038146700000000, 0.0009524300000000 ] - [ 0.0052244600000000, 0.0047226200000000, -0.0003747800000000 ] - [ -0.0010274100000000, 0.0037814700000000, -0.0009660000000000 ] - [ -0.0003703600000000, -0.0049123300000000, 0.0000571100000000 ] - [ -0.0003228700000000, 0.0015205000000000, -0.0000520800000000 ] - [ -0.0000524400000000, 0.0033968900000000, 0.0007521800000000 ] - [ 0.0001424000000000, 0.0032928800000000, -0.0008563000000000 ] - [ 0.0020689400000000, 0.0014816400000000, 0.0002693300000000 ] - [ -0.0020968600000000, 0.0015127100000000, -0.0000628000000000 ] - [ 0.0006790200000000, -0.0293009200000000, 0.0000906000000000 ] - [ 0.0003249000000000, 0.0016030700000000, 0.0000507300000000 ] - [ -0.0002512000000000, -0.0003765800000000, 0.0002383300000000 ] - [ -0.0004022100000000, 0.0021651700000000, -0.0006172300000000 ] - [ 0.0002607700000000, -0.0004285400000000, -0.0001231500000000 ] - [ 0.0004265600000000, 0.0021568900000000, 0.0006754500000000 ] - [ 0.0025387500000000, -0.0054162600000000, 0.0020045200000000 ] - [ -0.0003777000000000, 0.0027093300000000, -0.0007568100000000 ] - [ -0.0023851200000000, -0.0054615200000000, -0.0020440600000000 ] - [ 0.0004154800000000, 0.0028528500000000, 0.0008124700000000 ] - [ 0.0105458200000000, -0.0077383200000000, -0.0022586100000000 ] - [ -0.0005795200000000, 0.0028993400000000, 0.0007937900000000 ] - [ -0.0114057600000000, -0.0079146400000000, 0.0026155400000000 ] - [ 0.0005612900000000, 0.0031894700000000, -0.0008082100000000 ] - [ -0.0014600800000000, 0.0012751800000000, 0.0015789900000000 ] - [ 0.0014445100000000, 0.0013610000000000, -0.0009202100000000 ] - [ -0.0002038800000000, -0.0028367500000000, 0.0001796700000000 ] - [ -0.0000628200000000, 0.0014994200000000, 0.0001004100000000 ] - [ -0.0048720900000000, 0.0056391400000000, -0.0034555300000000 ] - [ 0.0009929100000000, 0.0036799400000000, -0.0007793900000000 ] - [ 0.0046245200000000, 0.0048943800000000, 0.0030189600000000 ] - [ -0.0009231900000000, 0.0035534800000000, 0.0005485300000000 ] - [ -0.0001617800000000, -0.0006542300000000, -0.0001832200000000 ] - [ 0.0009497600000000, 0.0018860600000000, -0.0002078900000000 ] - [ 0.0002938700000000, -0.0008052600000000, 0.0000790700000000 ] - [ -0.0006395900000000, 0.0018106400000000, 0.0001180600000000 ] - [ -0.0017279000000000, -0.0036666800000000, -0.0002719200000000 ] - [ 0.0005169200000000, 0.0024577300000000, 0.0001277500000000 ] - [ 0.0020426500000000, -0.0044503100000000, 0.0001531700000000 ] - [ -0.0005511300000000, 0.0025480000000000, 0.0001377700000000 ] - [ -0.0087880500000000, -0.0369525600000000, -0.0098328700000000 ] - [ -0.0001269400000000, 0.0017705700000000, 0.0000092900000000 ] - [ -0.0001739500000000, 0.0011072500000000, -0.0016253500000000 ] - [ 0.0005058000000000, 0.0010765400000000, 0.0015894500000000 ]- atom: 33 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0084931800000000, -0.0072443800000000, 0.0096542900000000 ] - [ 0.0003230800000000, 0.0001718300000000, 0.0002092200000000 ] - [ 0.0078711500000000, 0.0068050700000000, 0.0088628900000000 ] - [ 0.0003510500000000, -0.0001730700000000, 0.0001682200000000 ] - [ -0.0046601100000000, 0.0027631300000000, -0.0029201200000000 ] - [ -0.0002819100000000, -0.0000135400000000, -0.0002104800000000 ] - [ -0.0048216600000000, -0.0028380300000000, -0.0029235500000000 ] - [ -0.0002875500000000, 0.0000324700000000, -0.0001605100000000 ] - [ -0.0031929100000000, -0.0000720500000000, 0.0165036000000000 ] - [ -0.0001513100000000, 0.0000027900000000, 0.0001014000000000 ] - [ 0.0011796300000000, -0.0012707600000000, 0.0042800000000000 ] - [ -0.0000496200000000, 0.0004434500000000, 0.0001622600000000 ] - [ 0.0000406500000000, -0.0005747100000000, 0.0001114900000000 ] - [ 0.0000422300000000, 0.0007171100000000, 0.0001572500000000 ] - [ -0.0002498200000000, 0.0090986500000000, -0.0090180900000000 ] - [ 0.0001387200000000, -0.0002312700000000, -0.0000570700000000 ] - [ -0.0000352700000000, -0.0092215000000000, -0.0087124600000000 ] - [ 0.0001469900000000, -0.0000453500000000, -0.0000542500000000 ] - [ -0.0195722500000000, -0.0185552500000000, -0.0006481300000000 ] - [ -0.0001310800000000, 0.0005821700000000, -0.0001867900000000 ] - [ -0.0182614700000000, 0.0182263700000000, 0.0010343100000000 ] - [ -0.0001504500000000, -0.0006022800000000, -0.0002596300000000 ] - [ 0.0004875900000000, -0.0016231400000000, 0.0008539600000000 ] - [ 0.0004147200000000, 0.0017244600000000, 0.0009069200000000 ] - [ 0.0121760500000000, -0.0000151400000000, 0.0119379400000000 ] - [ 0.0001194200000000, 0.0000155900000000, -0.0000506200000000 ] - [ -0.0000585200000000, 0.0003758300000000, 0.0002253700000000 ] - [ -0.0000405900000000, -0.0003585400000000, 0.0001666300000000 ] - [ -0.0022866400000000, 0.0036122000000000, 0.0025558300000000 ] - [ -0.0025618700000000, -0.0038939900000000, 0.0026403600000000 ] - [ -0.0008158100000000, 0.0001005100000000, 0.0036373000000000 ] - [ -0.0000303500000000, -0.0000006300000000, 0.0003782000000000 ] - [ 0.2064103700000000, -0.0061147600000000, -0.3722673900000000 ] - [ -0.0000940900000000, 0.0001235800000000, -0.0001268300000000 ] - [ -0.0015207400000000, -0.0009144500000000, -0.0004720400000000 ] - [ -0.0016104500000000, 0.0009705600000000, -0.0005398400000000 ] - [ 0.0019367700000000, 0.0000921200000000, -0.0013135900000000 ] - [ 0.0020435900000000, -0.0000854800000000, -0.0016983200000000 ] - [ -0.0125778700000000, -0.0001736200000000, 0.0040434400000000 ] - [ 0.0000738700000000, 0.0001243400000000, 0.0000335300000000 ] - [ -0.0531159600000000, -0.0002942000000000, 0.0170684900000000 ] - [ 0.0000977600000000, 0.0000020300000000, -0.0003605700000000 ] - [ 0.0007387800000000, 0.0017193600000000, -0.0027275700000000 ] - [ 0.0006526900000000, -0.0014184200000000, -0.0027143000000000 ] - [ 0.0016352500000000, 0.0016400600000000, 0.0053299500000000 ] - [ -0.0000985700000000, -0.0003194400000000, 0.0001998500000000 ] - [ 0.0004161600000000, -0.0001884800000000, -0.0017579100000000 ] - [ 0.0004998900000000, 0.0002991500000000, -0.0019084900000000 ] - [ 0.0037738400000000, -0.0001316900000000, -0.0066146600000000 ] - [ 0.0001477300000000, -0.0000125200000000, -0.0001238200000000 ] - [ -0.0001833600000000, -0.0002792400000000, -0.0073505000000000 ] - [ -0.0000660500000000, 0.0000285700000000, -0.0002320300000000 ] - [ -0.0003044400000000, 0.0002456500000000, -0.0065340000000000 ] - [ 0.0000533400000000, 0.0000239800000000, -0.0001849500000000 ] - [ -0.0007093700000000, -0.0005540900000000, -0.0015441100000000 ] - [ -0.0002056500000000, 0.0001951800000000, -0.0001223200000000 ] - [ -0.0009033400000000, 0.0002929000000000, -0.0013018600000000 ] - [ -0.0002385300000000, -0.0002411100000000, -0.0001660400000000 ] - [ 0.0025102600000000, 0.0063211300000000, -0.0049860700000000 ] - [ 0.0000452200000000, -0.0012059600000000, 0.0000523500000000 ] - [ 0.0021531000000000, -0.0055529300000000, -0.0044580600000000 ] - [ 0.0000827600000000, 0.0013427900000000, 0.0001176300000000 ] - [ -0.0010253400000000, -0.0000815700000000, -0.0048229700000000 ] - [ 0.0000604600000000, -0.0000483400000000, -0.0001127500000000 ] - [ 0.0001712300000000, -0.0003435600000000, -0.0003957500000000 ] - [ 0.0001329400000000, 0.0003294900000000, -0.0003542600000000 ] - [ -0.0266401500000000, -0.0798756800000000, 0.0881466400000000 ] - [ -0.0000910200000000, -0.0003665800000000, 0.0001175500000000 ] - [ -0.0276547000000000, 0.0816296700000000, 0.0828919300000000 ] - [ -0.0000958000000000, 0.0002434700000000, 0.0000895400000000 ] - [ -0.0032417400000000, -0.0014279400000000, 0.0020875600000000 ] - [ -0.0000486700000000, -0.0000176700000000, 0.0000025000000000 ] - [ -0.0029317300000000, 0.0014158900000000, 0.0019831500000000 ] - [ -0.0000595800000000, 0.0000648100000000, -0.0000872300000000 ] - [ -0.0045536500000000, 0.0005980100000000, 0.0019730300000000 ] - [ -0.0002372700000000, -0.0000613600000000, 0.0000775400000000 ] - [ -0.0045052600000000, -0.0003586700000000, 0.0018474200000000 ] - [ -0.0003324000000000, 0.0000594900000000, 0.0001135600000000 ] - [ 0.0043405300000000, 0.0000179900000000, -0.0014076200000000 ] - [ -0.0001937500000000, -0.0000149600000000, -0.0001066700000000 ] - [ -0.0008447900000000, 0.0009033200000000, 0.0008651700000000 ] - [ -0.0008660700000000, -0.0008707600000000, 0.0006810900000000 ] - [ 0.0019670200000000, 0.0005493500000000, 0.0002217700000000 ] - [ 0.0017819000000000, -0.0005305900000000, 0.0001762800000000 ] - [ -0.1619190600000000, 0.0005547000000000, 0.0715017800000000 ] - [ 0.0001487200000000, -0.0000146300000000, 0.0001330800000000 ] - [ 0.0012316100000000, -0.0022207000000000, 0.0016385300000000 ] - [ 0.0001515300000000, 0.0002962300000000, 0.0000836500000000 ] - [ 0.0013248100000000, 0.0020947600000000, 0.0015701200000000 ] - [ 0.0002409700000000, -0.0003335300000000, 0.0001060800000000 ] - [ 0.0140334600000000, -0.0096659900000000, 0.0030590100000000 ] - [ -0.0000093700000000, 0.0000265800000000, -0.0000006100000000 ] - [ 0.0137813300000000, 0.0099233700000000, 0.0033839300000000 ] - [ -0.0000047200000000, 0.0000222700000000, 0.0000947000000000 ] - [ 0.0080120200000000, 0.0000455700000000, 0.0020616900000000 ] - [ 0.0001190700000000, -0.0003050000000000, -0.0000362300000000 ] - [ 0.0080925700000000, -0.0001806100000000, 0.0012426000000000 ] - [ 0.0001305500000000, 0.0001778300000000, 0.0000143100000000 ] - [ -0.0005665300000000, -0.0009351200000000, 0.0010117900000000 ] - [ -0.0005500400000000, 0.0007162800000000, 0.0009540300000000 ] - [ 0.0094427600000000, 0.0000183300000000, -0.0136532100000000 ] - [ -0.0000617500000000, -0.0000471100000000, 0.0000692100000000 ] - [ 0.0028418400000000, -0.0030627700000000, 0.0035103000000000 ] - [ 0.0001206700000000, 0.0005678800000000, 0.0000997900000000 ] - [ 0.0026938300000000, 0.0026219800000000, 0.0036376700000000 ] - [ 0.0001313400000000, -0.0006497600000000, 0.0000902500000000 ] - [ 0.0000401100000000, -0.0017905700000000, -0.0014233500000000 ] - [ 0.0002562400000000, 0.0005555800000000, -0.0000894900000000 ] - [ 0.0002083700000000, 0.0019966500000000, -0.0012114700000000 ] - [ 0.0002420100000000, -0.0005476300000000, -0.0000595900000000 ] - [ -0.0035831600000000, -0.0036126500000000, -0.0027586900000000 ] - [ -0.0000219000000000, 0.0000531300000000, 0.0000892400000000 ] - [ -0.0035178000000000, 0.0038081900000000, -0.0021655100000000 ] - [ 0.0000807500000000, -0.0000299500000000, 0.0001438900000000 ] - [ 0.0467252300000000, 0.0042360700000000, 0.1041371200000000 ] - [ -0.0001061800000000, -0.0000126800000000, 0.0001614700000000 ] - [ -0.0003157000000000, 0.0002516300000000, 0.0009658100000000 ] - [ -0.0003140000000000, -0.0002452100000000, 0.0009649100000000 ]- atom: 33 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0084985600000000, 0.0072492500000000, -0.0095619600000000 ] - [ -0.0003470800000000, -0.0001216500000000, -0.0000990400000000 ] - [ -0.0078782400000000, -0.0068182600000000, -0.0088563000000000 ] - [ -0.0003759200000000, 0.0001172200000000, -0.0001356600000000 ] - [ 0.0046970300000000, -0.0027234100000000, 0.0027785100000000 ] - [ 0.0003168100000000, 0.0000627300000000, 0.0000837200000000 ] - [ 0.0048413800000000, 0.0027933600000000, 0.0028932500000000 ] - [ 0.0003054900000000, -0.0000853000000000, 0.0001452400000000 ] - [ 0.0028686200000000, 0.0001084900000000, -0.0165440100000000 ] - [ -0.0002132400000000, 0.0000366300000000, -0.0001773100000000 ] - [ -0.0011617100000000, 0.0016138200000000, -0.0042608900000000 ] - [ 0.0000494900000000, -0.0001158200000000, -0.0001620200000000 ] - [ -0.0002176600000000, 0.0005913900000000, -0.0001270300000000 ] - [ -0.0002210300000000, -0.0007058500000000, -0.0001725700000000 ] - [ 0.0002178300000000, -0.0093577500000000, 0.0090083200000000 ] - [ -0.0001410500000000, -0.0000387500000000, 0.0000570700000000 ] - [ 0.0000039300000000, 0.0089008200000000, 0.0087037100000000 ] - [ -0.0001490100000000, -0.0002656200000000, 0.0000537100000000 ] - [ 0.0195952900000000, 0.0186121600000000, 0.0005791400000000 ] - [ 0.0001322100000000, -0.0003851800000000, 0.0001851400000000 ] - [ 0.0182862100000000, -0.0183208400000000, -0.0011040500000000 ] - [ 0.0001512700000000, 0.0003720800000000, 0.0002583900000000 ] - [ -0.0003115400000000, 0.0016422900000000, -0.0008350500000000 ] - [ -0.0002364300000000, -0.0017160300000000, -0.0008889500000000 ] - [ -0.0119112900000000, 0.0000592900000000, -0.0118470700000000 ] - [ 0.0002456400000000, 0.0000237900000000, 0.0001269700000000 ] - [ 0.0000575500000000, -0.0004265800000000, -0.0002230800000000 ] - [ 0.0000395500000000, 0.0003082900000000, -0.0001638500000000 ] - [ 0.0023427000000000, -0.0036011800000000, -0.0021452800000000 ] - [ 0.0026182200000000, 0.0039061400000000, -0.0022307000000000 ] - [ 0.0008243000000000, -0.0001104900000000, -0.0029491900000000 ] - [ 0.0000717100000000, -0.0000088500000000, 0.0003352500000000 ] - [ -0.2145979100000000, 0.0068103300000000, 0.3706816300000000 ] - [ -0.0003651300000000, 0.0001321700000000, 0.0002852400000000 ] - [ 0.0013308300000000, 0.0009587800000000, 0.0002835800000000 ] - [ 0.0014220200000000, -0.0009363500000000, 0.0003489300000000 ] - [ -0.0017539600000000, -0.0000639600000000, 0.0015080700000000 ] - [ -0.0018624200000000, 0.0001350500000000, 0.0018961500000000 ] - [ 0.0129317600000000, 0.0004300600000000, -0.0042279900000000 ] - [ 0.0003849200000000, 0.0001317700000000, -0.0001922500000000 ] - [ 0.0533768900000000, 0.0002811300000000, -0.0176700500000000 ] - [ -0.0001402500000000, -0.0000110600000000, -0.0003533600000000 ] - [ -0.0007886500000000, -0.0017182100000000, 0.0023234400000000 ] - [ -0.0007026000000000, 0.0014404100000000, 0.0023106300000000 ] - [ -0.0016137400000000, -0.0015939500000000, -0.0053074200000000 ] - [ 0.0000986600000000, 0.0003830300000000, -0.0002000500000000 ] - [ -0.0006922400000000, 0.0002609900000000, 0.0017227400000000 ] - [ -0.0007795100000000, -0.0002258700000000, 0.0018748600000000 ] - [ -0.0034600500000000, 0.0001207800000000, 0.0065022700000000 ] - [ 0.0001303400000000, 0.0000005700000000, 0.0000297700000000 ] - [ 0.0001851100000000, 0.0003366900000000, 0.0071780000000000 ] - [ 0.0000917000000000, 0.0000566300000000, 0.0000805300000000 ] - [ 0.0005384000000000, -0.0002843800000000, 0.0064733900000000 ] - [ 0.0002049300000000, -0.0000891200000000, 0.0001442300000000 ] - [ 0.0004920000000000, 0.0005756000000000, 0.0015290000000000 ] - [ -0.0000053100000000, -0.0001815100000000, 0.0001067100000000 ] - [ 0.0007469100000000, -0.0003443600000000, 0.0013081500000000 ] - [ 0.0000872700000000, 0.0001981300000000, 0.0001712500000000 ] - [ -0.0026164500000000, -0.0065175800000000, 0.0052158100000000 ] - [ -0.0001251500000000, 0.0010349000000000, 0.0001416400000000 ] - [ -0.0022251700000000, 0.0057689600000000, 0.0047314200000000 ] - [ -0.0001321000000000, -0.0011466000000000, 0.0001197900000000 ] - [ 0.0011476000000000, -0.0000138600000000, 0.0046011300000000 ] - [ 0.0000428100000000, -0.0000476900000000, -0.0001150200000000 ] - [ -0.0001987900000000, 0.0003765100000000, -0.0002275700000000 ] - [ -0.0001607100000000, -0.0003007300000000, -0.0002777300000000 ] - [ 0.0266198100000000, 0.0757956000000000, -0.0863148800000000 ] - [ 0.0001329000000000, -0.0000055700000000, -0.0000579500000000 ] - [ 0.0276811900000000, -0.0780899900000000, -0.0815676100000000 ] - [ 0.0001327200000000, -0.0001174400000000, -0.0001012300000000 ] - [ 0.0032324500000000, 0.0013616600000000, -0.0020264300000000 ] - [ 0.0000267700000000, -0.0000547700000000, 0.0000368000000000 ] - [ 0.0028921000000000, -0.0012300200000000, -0.0021036300000000 ] - [ 0.0000071000000000, 0.0001266600000000, -0.0000553200000000 ] - [ 0.0046486800000000, -0.0005855900000000, -0.0020226100000000 ] - [ 0.0003207700000000, 0.0000903100000000, -0.0001265500000000 ] - [ 0.0044408100000000, 0.0003110100000000, -0.0019377300000000 ] - [ 0.0002568600000000, -0.0001231600000000, -0.0002026300000000 ] - [ -0.0049183200000000, -0.0000466300000000, 0.0012784300000000 ] - [ -0.0004212100000000, -0.0000138500000000, -0.0000254100000000 ] - [ 0.0008873600000000, -0.0009401000000000, -0.0010674100000000 ] - [ 0.0009093500000000, 0.0008490200000000, -0.0008832900000000 ] - [ -0.0020145000000000, -0.0005777400000000, -0.0000231600000000 ] - [ -0.0018295200000000, 0.0005010100000000, 0.0000225200000000 ] - [ 0.1712819400000000, -0.0006380900000000, -0.0728409200000000 ] - [ 0.0004662500000000, -0.0000135700000000, -0.0000013200000000 ] - [ -0.0013085900000000, 0.0022495300000000, -0.0015870100000000 ] - [ -0.0002338100000000, -0.0002729400000000, -0.0000328100000000 ] - [ -0.0012390100000000, -0.0021593000000000, -0.0014804400000000 ] - [ -0.0001621600000000, 0.0002744200000000, -0.0000176400000000 ] - [ -0.0139603400000000, 0.0095654200000000, -0.0031127100000000 ] - [ 0.0000337900000000, -0.0000990800000000, -0.0000405300000000 ] - [ -0.0136848600000000, -0.0097038300000000, -0.0032523400000000 ] - [ 0.0000559400000000, 0.0001696600000000, 0.0000496200000000 ] - [ -0.0080455300000000, -0.0003876800000000, -0.0020886400000000 ] - [ -0.0001629000000000, -0.0000678300000000, -0.0000226100000000 ] - [ -0.0081192100000000, 0.0002765200000000, -0.0012036900000000 ] - [ -0.0001664900000000, -0.0000517400000000, -0.0000023100000000 ] - [ 0.0005974700000000, 0.0009668400000000, -0.0003933400000000 ] - [ 0.0005810500000000, -0.0006868600000000, -0.0003268200000000 ] - [ -0.0095928600000000, -0.0001135000000000, 0.0138601500000000 ] - [ -0.0000409600000000, -0.0000491500000000, 0.0001584100000000 ] - [ -0.0028124900000000, 0.0032692000000000, -0.0037508200000000 ] - [ -0.0000726100000000, -0.0003729500000000, -0.0003374500000000 ] - [ -0.0026329300000000, -0.0028049100000000, -0.0038295900000000 ] - [ -0.0000535100000000, 0.0004797700000000, -0.0002818300000000 ] - [ 0.0001651800000000, 0.0018077700000000, 0.0014329100000000 ] - [ -0.0000466500000000, -0.0005423300000000, 0.0001043500000000 ] - [ -0.0000606900000000, -0.0020444000000000, 0.0012008100000000 ] - [ -0.0000899400000000, 0.0005049400000000, 0.0000542600000000 ] - [ 0.0032966600000000, 0.0035327700000000, 0.0027787600000000 ] - [ -0.0002361900000000, -0.0001187400000000, -0.0000472300000000 ] - [ 0.0034623800000000, -0.0037076500000000, 0.0022960100000000 ] - [ -0.0001068900000000, 0.0001154000000000, 0.0000073000000000 ] - [ -0.0481215700000000, -0.0043210600000000, -0.1039064400000000 ] - [ -0.0001718400000000, 0.0000006600000000, -0.0000671200000000 ] - [ 0.0005897900000000, -0.0001794100000000, -0.0009305900000000 ] - [ 0.0005917400000000, 0.0003182800000000, -0.0009316200000000 ]- atom: 35 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0003694900000000, 0.0000619900000000, 0.0000697600000000 ] - [ 0.0080526800000000, 0.0003899900000000, -0.0002608800000000 ] - [ 0.0079120200000000, -0.0002739700000000, -0.0000300200000000 ] - [ 0.0003854600000000, -0.0000721400000000, 0.0000290400000000 ] - [ -0.0002696300000000, 0.0000025000000000, -0.0001797900000000 ] - [ -0.0060399600000000, 0.0009262700000000, 0.0003620900000000 ] - [ -0.0059274300000000, -0.0008592700000000, 0.0008911200000000 ] - [ -0.0002850700000000, 0.0000041100000000, -0.0001412800000000 ] - [ 0.0002353600000000, -0.0009402900000000, 0.0009034800000000 ] - [ 0.0004575800000000, 0.0009102200000000, 0.0010161100000000 ] - [ 0.0026446800000000, 0.0021075200000000, -0.0011733000000000 ] - [ 0.0001292200000000, 0.0002125500000000, 0.0000430000000000 ] - [ 0.0188961100000000, 0.0000455900000000, -0.0207307400000000 ] - [ -0.0001076000000000, -0.0000001200000000, -0.0000794800000000 ] - [ -0.0000821200000000, 0.0002484400000000, 0.0001409700000000 ] - [ 0.0074830000000000, -0.0177631800000000, 0.0081717100000000 ] - [ 0.0075989700000000, 0.0169763200000000, 0.0074818800000000 ] - [ -0.0000949400000000, -0.0005689600000000, 0.0001594300000000 ] - [ 0.0001470100000000, -0.0002623800000000, -0.0001123200000000 ] - [ 0.0059081400000000, 0.0129386000000000, -0.0084498300000000 ] - [ 0.0051581500000000, -0.0126143000000000, -0.0080863700000000 ] - [ 0.0001717900000000, 0.0002723400000000, -0.0001204200000000 ] - [ 0.0034887100000000, 0.0001631600000000, 0.0096829800000000 ] - [ 0.0001026100000000, 0.0000051400000000, 0.0000896800000000 ] - [ 0.0002414900000000, 0.0000641100000000, -0.0009558500000000 ] - [ 0.0001994000000000, -0.0000515800000000, -0.0010743500000000 ] - [ -0.0000133000000000, -0.0000253100000000, 0.0000047800000000 ] - [ -0.0072469600000000, 0.0002807300000000, -0.0015085600000000 ] - [ 0.0646117100000000, -0.0004744700000000, 0.0282632100000000 ] - [ -0.0000708100000000, 0.0000123200000000, 0.0002945500000000 ] - [ -0.0015950900000000, 0.0029836700000000, -0.0006322100000000 ] - [ -0.0017605800000000, -0.0031859700000000, -0.0005960000000000 ] - [ 0.0010858600000000, -0.0010767300000000, -0.0008072600000000 ] - [ 0.0011636500000000, 0.0012790800000000, -0.0008684500000000 ] - [ -0.4967291800000000, 0.0010936800000000, 0.0185166200000000 ] - [ -0.0002812900000000, 0.0000180900000000, -0.0001432900000000 ] - [ 0.0108467700000000, 0.0000804600000000, 0.0093835100000000 ] - [ 0.0002321100000000, 0.0000136700000000, 0.0001926200000000 ] - [ -0.0019231900000000, -0.0023682300000000, 0.0008124300000000 ] - [ -0.0021373400000000, 0.0027509400000000, 0.0008149700000000 ] - [ 0.0008320600000000, 0.0018008000000000, 0.0010284700000000 ] - [ 0.0008395600000000, -0.0018446300000000, 0.0010347700000000 ] - [ 0.0074620600000000, 0.0000380600000000, -0.0119935600000000 ] - [ 0.0000842600000000, 0.0000100900000000, -0.0003069800000000 ] - [ 0.0001592700000000, -0.0000716900000000, 0.0000709200000000 ] - [ 0.0034443900000000, -0.0025048500000000, -0.0015138600000000 ] - [ -0.0067651200000000, 0.0001348400000000, -0.0214452000000000 ] - [ -0.0001253200000000, 0.0000372700000000, -0.0000869100000000 ] - [ 0.0002037900000000, 0.0008855700000000, -0.0002884800000000 ] - [ 0.0002256800000000, -0.0011524500000000, -0.0003379600000000 ] - [ -0.0019520400000000, 0.0002958600000000, -0.0011807600000000 ] - [ -0.0002741000000000, -0.0001533200000000, -0.0001913400000000 ] - [ -0.0000836000000000, 0.0001971200000000, -0.0001280500000000 ] - [ -0.0019248700000000, 0.0001174300000000, -0.0012209900000000 ] - [ -0.0001942600000000, 0.0000177000000000, 0.0000436000000000 ] - [ -0.0059740300000000, 0.0034465900000000, 0.0023837600000000 ] - [ -0.0068672200000000, -0.0034327600000000, 0.0024530200000000 ] - [ -0.0001604600000000, 0.0000000400000000, 0.0000527100000000 ] - [ -0.0000774200000000, 0.0000210600000000, 0.0000455700000000 ] - [ -0.0177460200000000, -0.0100775100000000, 0.0010500500000000 ] - [ -0.0175386400000000, 0.0103662300000000, 0.0012846000000000 ] - [ -0.0000690000000000, -0.0000103100000000, 0.0000615900000000 ] - [ 0.0000851900000000, -0.0006327500000000, 0.0006851500000000 ] - [ 0.0001088000000000, 0.0006063600000000, 0.0007312500000000 ] - [ 0.0000347100000000, 0.0000102500000000, -0.0002956800000000 ] - [ 0.1061175200000000, -0.0058767800000000, -0.1092886300000000 ] - [ -0.0002096600000000, 0.0001744500000000, 0.0000880400000000 ] - [ -0.0024364400000000, -0.0026590400000000, 0.0014341500000000 ] - [ -0.0023216000000000, 0.0024945200000000, 0.0013352000000000 ] - [ -0.0002254000000000, -0.0003027300000000, 0.0000619400000000 ] - [ 0.0000056700000000, -0.0009145300000000, -0.0000930900000000 ] - [ -0.0008701900000000, 0.0037115600000000, 0.0008800400000000 ] - [ -0.0008013800000000, -0.0033930500000000, 0.0007921900000000 ] - [ 0.0000101000000000, 0.0010414100000000, -0.0002148700000000 ] - [ -0.0000844800000000, -0.0001039800000000, -0.0000896500000000 ] - [ -0.0059138200000000, 0.0019502000000000, -0.0032661500000000 ] - [ -0.0055579300000000, -0.0018800900000000, -0.0030513100000000 ] - [ -0.0001673100000000, 0.0000945300000000, -0.0001133500000000 ] - [ 0.0016684200000000, -0.0003214300000000, -0.0003761900000000 ] - [ 0.0018466800000000, 0.0003192800000000, -0.0004126400000000 ] - [ -0.0001117100000000, -0.0000136800000000, -0.0001156400000000 ] - [ -0.0056855000000000, -0.0000213900000000, 0.0003597300000000 ] - [ 0.0001140000000000, -0.0000143200000000, 0.0001140600000000 ] - [ 0.2628299400000000, 0.0026034000000000, 0.0500906200000000 ] - [ -0.0009164800000000, -0.0002584100000000, 0.0001591800000000 ] - [ -0.0009612400000000, 0.0002599200000000, 0.0001543900000000 ] - [ 0.0001096300000000, -0.0000661500000000, 0.0000359600000000 ] - [ 0.0413921200000000, -0.0277465700000000, 0.0160186600000000 ] - [ 0.0416245300000000, 0.0298481000000000, 0.0151088600000000 ] - [ 0.0002016400000000, 0.0000530700000000, 0.0000521000000000 ] - [ 0.0000728400000000, -0.0005362000000000, -0.0001173800000000 ] - [ -0.0005904800000000, 0.0024899700000000, -0.0019925700000000 ] - [ -0.0005783600000000, -0.0023969300000000, -0.0018827000000000 ] - [ 0.0000912900000000, 0.0006077800000000, -0.0000214100000000 ] - [ 0.0001686800000000, 0.0005522300000000, 0.0000804900000000 ] - [ 0.0030616300000000, -0.0032465200000000, 0.0011901600000000 ] - [ 0.0031543300000000, 0.0030115900000000, 0.0011390200000000 ] - [ 0.0001873900000000, -0.0007285800000000, 0.0001294800000000 ] - [ -0.0000003800000000, 0.0000127500000000, 0.0002594800000000 ] - [ -0.0006078700000000, -0.0000420500000000, -0.0058854900000000 ] - [ -0.0001151600000000, -0.0001551800000000, -0.0009006100000000 ] - [ -0.0001458500000000, 0.0000750000000000, -0.0009327400000000 ] - [ -0.0024484100000000, 0.0011401200000000, 0.0070194000000000 ] - [ 0.0000130500000000, -0.0000098100000000, -0.0000089100000000 ] - [ 0.0000258400000000, 0.0000207700000000, 0.0000065300000000 ] - [ -0.0022853200000000, -0.0011237500000000, 0.0071713200000000 ] - [ 0.0001106200000000, 0.0000120500000000, -0.0000460800000000 ] - [ -0.0014777700000000, -0.0005932500000000, -0.0015209000000000 ] - [ -0.0012027800000000, 0.0005103500000000, -0.0020131000000000 ] - [ 0.0000879900000000, -0.0000077200000000, -0.0000481700000000 ] - [ -0.0001599400000000, -0.0000459600000000, 0.0001270100000000 ] - [ -0.0000771700000000, 0.0001666500000000, 0.0009276300000000 ] - [ 0.0002072200000000, -0.0000274400000000, 0.0009157000000000 ] - [ -0.0000234700000000, 0.0000735900000000, 0.0002437300000000 ] - [ -0.0001626800000000, 0.0003304300000000, 0.0005926900000000 ] - [ -0.0002092100000000, -0.0003964100000000, 0.0006706000000000 ] - [ -0.0035660800000000, -0.0001194100000000, 0.0118371500000000 ] - [ 0.0001277600000000, 0.0000380600000000, 0.0000868700000000 ]- atom: 35 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0003947600000000, -0.0000137700000000, 0.0000462500000000 ] - [ -0.0080836800000000, -0.0003070300000000, 0.0004056700000000 ] - [ -0.0079404000000000, 0.0001981200000000, 0.0000873500000000 ] - [ -0.0004093800000000, 0.0000286200000000, 0.0000033200000000 ] - [ 0.0003026700000000, 0.0000422000000000, 0.0000521900000000 ] - [ 0.0060285800000000, -0.0008944700000000, -0.0004719100000000 ] - [ 0.0058976100000000, 0.0008302000000000, -0.0008905500000000 ] - [ 0.0003001800000000, -0.0000461400000000, 0.0001234400000000 ] - [ -0.0005962100000000, 0.0009641600000000, -0.0009852900000000 ] - [ -0.0008179200000000, -0.0008789800000000, -0.0010978800000000 ] - [ -0.0026537100000000, -0.0017620800000000, 0.0011867400000000 ] - [ -0.0001294000000000, 0.0001366300000000, -0.0000424400000000 ] - [ -0.0190277600000000, -0.0000189500000000, 0.0208855900000000 ] - [ -0.0000630900000000, 0.0000203100000000, 0.0000600100000000 ] - [ 0.0000840200000000, -0.0005420800000000, -0.0001411300000000 ] - [ -0.0073478100000000, 0.0175929100000000, -0.0081908400000000 ] - [ -0.0074687000000000, -0.0173817300000000, -0.0074968800000000 ] - [ 0.0000965400000000, 0.0002783500000000, -0.0001602200000000 ] - [ -0.0001494500000000, 0.0004353700000000, 0.0001123100000000 ] - [ -0.0059046100000000, -0.0127138300000000, 0.0084431500000000 ] - [ -0.0051557200000000, 0.0123538300000000, 0.0080791200000000 ] - [ -0.0001746000000000, -0.0004817500000000, 0.0001207300000000 ] - [ -0.0032741400000000, -0.0001433700000000, -0.0096413300000000 ] - [ 0.0000688800000000, 0.0000143900000000, -0.0000699500000000 ] - [ 0.0001149600000000, -0.0000376600000000, 0.0010368800000000 ] - [ 0.0001570600000000, 0.0000803200000000, 0.0011548700000000 ] - [ 0.0000126300000000, -0.0000258900000000, -0.0000039200000000 ] - [ 0.0071977600000000, -0.0003295300000000, 0.0014178400000000 ] - [ -0.0640637800000000, 0.0005046500000000, -0.0276686400000000 ] - [ 0.0001149200000000, 0.0000063600000000, 0.0001076400000000 ] - [ 0.0016387200000000, -0.0029972300000000, 0.0013144300000000 ] - [ 0.0018055300000000, 0.0031631100000000, 0.0012796400000000 ] - [ -0.0015409900000000, 0.0013076200000000, 0.0009835700000000 ] - [ -0.0016190500000000, -0.0010145000000000, 0.0010439500000000 ] - [ 0.4781501200000000, -0.0015806900000000, -0.0285577500000000 ] - [ 0.0000973900000000, 0.0000278700000000, -0.0000492400000000 ] - [ -0.0107128600000000, -0.0000373500000000, -0.0093106500000000 ] - [ -0.0000470100000000, 0.0000318500000000, -0.0000003500000000 ] - [ 0.0023675400000000, 0.0026173200000000, -0.0009909300000000 ] - [ 0.0025812900000000, -0.0025047300000000, -0.0009935300000000 ] - [ -0.0008529800000000, -0.0018102100000000, -0.0017093800000000 ] - [ -0.0008599700000000, 0.0018171000000000, -0.0017165400000000 ] - [ -0.0075080000000000, -0.0000181800000000, 0.0115179300000000 ] - [ -0.0001296600000000, 0.0000088900000000, -0.0000958800000000 ] - [ -0.0001588500000000, 0.0001075100000000, -0.0000703200000000 ] - [ -0.0034539200000000, 0.0025419900000000, 0.0015263800000000 ] - [ 0.0064894800000000, -0.0000631700000000, 0.0214055300000000 ] - [ -0.0001610200000000, 0.0000359700000000, 0.0000722200000000 ] - [ 0.0000789900000000, -0.0008935400000000, 0.0002127400000000 ] - [ 0.0000576100000000, 0.0011423900000000, 0.0002625100000000 ] - [ 0.0019779900000000, -0.0002112500000000, 0.0010198700000000 ] - [ 0.0002987600000000, 0.0002314900000000, 0.0000355300000000 ] - [ 0.0003386700000000, -0.0002529200000000, 0.0000871700000000 ] - [ 0.0021807900000000, -0.0001767200000000, 0.0011761400000000 ] - [ -0.0000177600000000, -0.0000016600000000, -0.0000605600000000 ] - [ 0.0057553000000000, -0.0034364400000000, -0.0024240800000000 ] - [ 0.0067094800000000, 0.0033943200000000, -0.0024840200000000 ] - [ 0.0000085500000000, -0.0000464400000000, -0.0000503700000000 ] - [ 0.0000006800000000, -0.0001932900000000, 0.0001467600000000 ] - [ 0.0176849600000000, 0.0099215300000000, -0.0008678200000000 ] - [ 0.0174940700000000, -0.0101823000000000, -0.0010633700000000 ] - [ 0.0000192900000000, 0.0002075900000000, 0.0001711900000000 ] - [ 0.0000311600000000, 0.0005399100000000, -0.0008926600000000 ] - [ 0.0000078200000000, -0.0006973700000000, -0.0009393200000000 ] - [ -0.0000642300000000, 0.0000180800000000, -0.0003368300000000 ] - [ -0.1070924600000000, 0.0061282300000000, 0.1128648100000000 ] - [ 0.0002570300000000, -0.0005371200000000, -0.0000292000000000 ] - [ 0.0024892700000000, 0.0022728200000000, -0.0013720200000000 ] - [ 0.0023655100000000, -0.0023522200000000, -0.0013450800000000 ] - [ 0.0002651000000000, 0.0004210600000000, -0.0000751300000000 ] - [ -0.0000304600000000, 0.0008503700000000, 0.0001400600000000 ] - [ 0.0008166000000000, -0.0037858600000000, -0.0008368700000000 ] - [ 0.0007232400000000, 0.0035846800000000, -0.0009346000000000 ] - [ -0.0000606900000000, -0.0008566400000000, 0.0000756900000000 ] - [ 0.0001628100000000, 0.0001321300000000, 0.0000438000000000 ] - [ 0.0060083900000000, -0.0019764500000000, 0.0032660600000000 ] - [ 0.0054895300000000, 0.0018636600000000, 0.0030062600000000 ] - [ 0.0000902000000000, -0.0001608100000000, 0.0000254300000000 ] - [ -0.0022824000000000, 0.0002888700000000, 0.0002533000000000 ] - [ -0.0024605500000000, -0.0003382100000000, 0.0002904700000000 ] - [ 0.0001524400000000, -0.0000178300000000, -0.0000841000000000 ] - [ 0.0057570800000000, -0.0000097900000000, -0.0005292600000000 ] - [ -0.0001550500000000, -0.0000168400000000, 0.0000861600000000 ] - [ -0.2454428200000000, -0.0024072500000000, -0.0455449100000000 ] - [ 0.0015201700000000, 0.0002347100000000, -0.0000332600000000 ] - [ 0.0015639500000000, -0.0002872700000000, -0.0000287600000000 ] - [ -0.0001891900000000, 0.0000935200000000, 0.0000109200000000 ] - [ -0.0408233000000000, 0.0271061900000000, -0.0154586200000000 ] - [ -0.0408715600000000, -0.0291881700000000, -0.0145213200000000 ] - [ -0.0001233200000000, -0.0001190600000000, 0.0000345700000000 ] - [ -0.0000500400000000, 0.0004684500000000, 0.0000683300000000 ] - [ 0.0005864700000000, -0.0025192000000000, 0.0019158400000000 ] - [ 0.0005970700000000, 0.0025495500000000, 0.0019972000000000 ] - [ -0.0000460700000000, -0.0004182800000000, 0.0001615400000000 ] - [ -0.0002142000000000, -0.0009193500000000, -0.0001398600000000 ] - [ -0.0030848800000000, 0.0028759000000000, -0.0012511600000000 ] - [ -0.0031681700000000, -0.0028831900000000, -0.0011295100000000 ] - [ -0.0002227800000000, 0.0008511400000000, -0.0001175900000000 ] - [ 0.0000298000000000, 0.0000149300000000, 0.0003734800000000 ] - [ 0.0006077600000000, 0.0000688900000000, 0.0065491100000000 ] - [ -0.0000043300000000, 0.0000612100000000, 0.0011054800000000 ] - [ 0.0000264600000000, -0.0001650400000000, 0.0011376600000000 ] - [ 0.0024934600000000, -0.0009307600000000, -0.0072165900000000 ] - [ 0.0000384600000000, 0.0002075500000000, -0.0002251400000000 ] - [ 0.0000523000000000, -0.0001940700000000, -0.0001974100000000 ] - [ 0.0023569500000000, 0.0009384400000000, -0.0073279400000000 ] - [ 0.0001005800000000, 0.0000039800000000, 0.0000622100000000 ] - [ 0.0016873800000000, 0.0006109100000000, 0.0015187400000000 ] - [ 0.0013534100000000, -0.0005589500000000, 0.0019892000000000 ] - [ 0.0000647500000000, -0.0000383400000000, 0.0000449100000000 ] - [ -0.0000947200000000, -0.0000111200000000, -0.0000874400000000 ] - [ -0.0001742700000000, -0.0002262200000000, -0.0008898200000000 ] - [ -0.0002276300000000, 0.0001090700000000, -0.0007626400000000 ] - [ -0.0000006500000000, 0.0000054600000000, -0.0000885100000000 ] - [ -0.0001144900000000, -0.0003359900000000, -0.0005134600000000 ] - [ -0.0000678100000000, 0.0003837100000000, -0.0005913400000000 ] - [ 0.0038188900000000, 0.0001883100000000, -0.0117226300000000 ] - [ 0.0001582200000000, 0.0000345600000000, -0.0000711500000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004544300000000, 0.0025075200000000, -0.0000599400000000 ] - [ -0.0030486800000000, -0.0019969000000000, 0.0016130600000000 ] - [ 0.0031137800000000, -0.0023133100000000, -0.0018076400000000 ] - [ -0.0004113800000000, 0.0025036200000000, 0.0001237500000000 ] - [ -0.0003161400000000, 0.0027772800000000, 0.0003635700000000 ] - [ 0.0090943400000000, 0.0081584100000000, -0.0152376000000000 ] - [ -0.0092635400000000, 0.0078183200000000, 0.0158627900000000 ] - [ 0.0002822400000000, 0.0027767100000000, -0.0004184700000000 ] - [ -0.0018166600000000, 0.0011155800000000, 0.0000989600000000 ] - [ 0.0013896300000000, 0.0011042900000000, -0.0001496400000000 ] - [ -0.0006385400000000, -0.0019226700000000, 0.0016651000000000 ] - [ -0.0000457400000000, 0.0032960700000000, -0.0000432600000000 ] - [ -0.0006418100000000, -0.0052207400000000, 0.0002610300000000 ] - [ -0.0001069300000000, 0.0033139600000000, 0.0000119900000000 ] - [ 0.0003010500000000, 0.0045941200000000, 0.0001013700000000 ] - [ -0.0302856600000000, 0.0238026700000000, -0.0071878700000000 ] - [ 0.0305779900000000, 0.0242116600000000, 0.0078190600000000 ] - [ -0.0002941100000000, 0.0045380700000000, -0.0000760900000000 ] - [ -0.0006478500000000, 0.0042648700000000, 0.0001315700000000 ] - [ 0.0066216700000000, -0.0038689200000000, 0.0003846800000000 ] - [ -0.0067776800000000, -0.0043542300000000, -0.0002443800000000 ] - [ 0.0006443400000000, 0.0040220100000000, -0.0001335100000000 ] - [ 0.0003448500000000, -0.0101744900000000, -0.0003111800000000 ] - [ 0.0001078400000000, 0.0033181000000000, -0.0000143700000000 ] - [ 0.0005991300000000, 0.0016771100000000, -0.0005193600000000 ] - [ -0.0002073300000000, 0.0015594300000000, 0.0005409300000000 ] - [ -0.0000010200000000, 0.0003082500000000, -0.0000012600000000 ] - [ 0.0002549600000000, -0.0008789300000000, 0.0004127700000000 ] - [ 0.0001312000000000, -0.0053930600000000, 0.0001621100000000 ] - [ -0.0000019400000000, 0.0039958200000000, 0.0002301900000000 ] - [ 0.0010453100000000, 0.0070319500000000, -0.0028918500000000 ] - [ -0.0011201500000000, 0.0067911700000000, 0.0034529600000000 ] - [ 0.0009899700000000, 0.0020165000000000, -0.0003262300000000 ] - [ -0.0013818100000000, 0.0020973700000000, 0.0005010200000000 ] - [ 0.0039550400000000, -0.4502752300000000, -0.0013509300000000 ] - [ -0.0001025900000000, 0.0046047400000000, -0.0000923800000000 ] - [ 0.0000610200000000, -0.0208376900000000, 0.0003513400000000 ] - [ 0.0001070400000000, 0.0042984800000000, 0.0000927000000000 ] - [ -0.0022874400000000, 0.0076335500000000, -0.0015794800000000 ] - [ 0.0028218800000000, 0.0075180000000000, 0.0015379700000000 ] - [ 0.0027319800000000, 0.0069613400000000, 0.0026319500000000 ] - [ -0.0028280500000000, 0.0069827300000000, -0.0032748500000000 ] - [ -0.0000368400000000, -0.0122179800000000, 0.0001284100000000 ] - [ -0.0000050900000000, 0.0039728900000000, -0.0002313700000000 ] - [ 0.0000659200000000, 0.0037429100000000, 0.0000592300000000 ] - [ 0.0008023600000000, -0.0021606100000000, -0.0019871900000000 ] - [ -0.0005048700000000, 0.0020599800000000, -0.0001598500000000 ] - [ -0.0001131200000000, -0.0010828200000000, -0.0000424100000000 ] - [ 0.0017016200000000, -0.0014780800000000, 0.0012482300000000 ] - [ -0.0014625200000000, -0.0013545000000000, -0.0013839600000000 ] - [ 0.0000400000000000, 0.0008573000000000, -0.0000794100000000 ] - [ -0.0006196100000000, -0.0018313100000000, -0.0001718500000000 ] - [ 0.0008596300000000, -0.0019019000000000, 0.0001997800000000 ] - [ 0.0000145100000000, 0.0006380600000000, 0.0000758900000000 ] - [ 0.0006135500000000, -0.0024355900000000, -0.0000997400000000 ] - [ -0.0017450200000000, 0.0036461100000000, 0.0000478700000000 ] - [ 0.0018018300000000, 0.0042188600000000, 0.0002907600000000 ] - [ -0.0006599100000000, -0.0024429300000000, -0.0000587800000000 ] - [ -0.0004086400000000, -0.0027049900000000, 0.0007973100000000 ] - [ 0.0026965900000000, 0.0051682500000000, -0.0014410400000000 ] - [ -0.0027937000000000, 0.0056954900000000, 0.0018118600000000 ] - [ 0.0003471600000000, -0.0025377500000000, -0.0005920000000000 ] - [ -0.0004448900000000, -0.0013260600000000, 0.0017645400000000 ] - [ 0.0005463200000000, -0.0012868200000000, -0.0019430200000000 ] - [ -0.0000037000000000, -0.0014419800000000, -0.0002988600000000 ] - [ -0.0059009100000000, 0.0356393300000000, 0.0084962100000000 ] - [ -0.0003368800000000, -0.0022653400000000, 0.0006028300000000 ] - [ 0.0000053500000000, 0.0001254700000000, -0.0000379700000000 ] - [ 0.0000632500000000, 0.0004058200000000, 0.0000364600000000 ] - [ 0.0003918800000000, -0.0020590800000000, -0.0005772300000000 ] - [ -0.0009518300000000, -0.0036209400000000, -0.0005592400000000 ] - [ 0.0045814400000000, -0.0052365600000000, -0.0029810700000000 ] - [ -0.0049180500000000, -0.0055901000000000, 0.0031368100000000 ] - [ 0.0009054100000000, -0.0034406500000000, 0.0005193700000000 ] - [ -0.0005184400000000, -0.0029514700000000, -0.0008031600000000 ] - [ 0.0119546800000000, 0.0078608400000000, 0.0020230800000000 ] - [ -0.0126352300000000, 0.0081276900000000, -0.0025849400000000 ] - [ 0.0005450400000000, -0.0030214900000000, 0.0007198500000000 ] - [ -0.0001694700000000, -0.0032067000000000, 0.0006235000000000 ] - [ -0.0003824000000000, -0.0032394500000000, -0.0008151600000000 ] - [ 0.0000129900000000, -0.0014519300000000, -0.0001072100000000 ] - [ -0.0000717500000000, 0.0049750100000000, -0.0002092900000000 ] - [ -0.0000110500000000, -0.0015425000000000, 0.0001095600000000 ] - [ 0.0020021100000000, 0.0270370200000000, 0.0004017200000000 ] - [ -0.0018489300000000, -0.0015084100000000, 0.0000840300000000 ] - [ 0.0024374800000000, -0.0014873400000000, 0.0000437700000000 ] - [ 0.0004112500000000, -0.0031385700000000, 0.0008059000000000 ] - [ -0.0278350800000000, 0.1692682200000000, -0.0951270700000000 ] - [ 0.0280392400000000, 0.1766496000000000, 0.0876165000000000 ] - [ -0.0004387100000000, -0.0032117800000000, -0.0007304900000000 ] - [ 0.0002369400000000, -0.0038278200000000, 0.0003798300000000 ] - [ 0.0037146500000000, -0.0098587500000000, 0.0062742000000000 ] - [ -0.0037153400000000, -0.0097616000000000, -0.0065551800000000 ] - [ -0.0001809000000000, -0.0037191900000000, -0.0003571700000000 ] - [ 0.0009091700000000, -0.0038785100000000, -0.0009778800000000 ] - [ -0.0052917200000000, -0.0049891300000000, -0.0004548100000000 ] - [ 0.0053657100000000, -0.0048633400000000, 0.0004612200000000 ] - [ -0.0009913600000000, -0.0036526400000000, 0.0008998000000000 ] - [ 0.0000004500000000, -0.0013884800000000, 0.0002991100000000 ] - [ 0.0004727400000000, 0.0059801000000000, 0.0005973600000000 ] - [ -0.0000071700000000, -0.0014050500000000, -0.0017456600000000 ] - [ -0.0000688500000000, -0.0014099100000000, 0.0019409500000000 ] - [ 0.0054154000000000, 0.0062673100000000, -0.0032472600000000 ] - [ -0.0005331600000000, -0.0026225100000000, 0.0006825800000000 ] - [ 0.0006032000000000, -0.0028006100000000, -0.0008995500000000 ] - [ -0.0054299800000000, 0.0058361500000000, 0.0027196000000000 ] - [ -0.0006370200000000, -0.0024348400000000, 0.0000582100000000 ] - [ 0.0009530100000000, 0.0035037300000000, 0.0046171600000000 ] - [ -0.0009350300000000, 0.0042252300000000, -0.0056356500000000 ] - [ 0.0006782700000000, -0.0024487800000000, 0.0000996000000000 ] - [ -0.0007598000000000, -0.0020295900000000, -0.0002393900000000 ] - [ -0.0005551300000000, 0.0001984500000000, 0.0016187600000000 ] - [ 0.0006917800000000, 0.0000973400000000, -0.0015593800000000 ] - [ 0.0004568500000000, -0.0019278200000000, 0.0002393700000000 ] - [ -0.0001907500000000, -0.0007291700000000, -0.0000163600000000 ] - [ -0.0001428700000000, -0.0006746700000000, 0.0001584700000000 ] - [ 0.0003974800000000, 0.0021195400000000, -0.0006523600000000 ] - [ 0.0001158200000000, -0.0010821800000000, 0.0000427000000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004796800000000, -0.0024555600000000, 0.0001727900000000 ] - [ 0.0030103800000000, 0.0020301000000000, -0.0014944100000000 ] - [ -0.0031530100000000, 0.0022775100000000, 0.0018489100000000 ] - [ 0.0003830000000000, -0.0025598000000000, -0.0000933100000000 ] - [ 0.0003451800000000, -0.0027300100000000, -0.0004917600000000 ] - [ -0.0090682200000000, -0.0080949300000000, 0.0150221800000000 ] - [ 0.0092694500000000, -0.0078888700000000, -0.0159647400000000 ] - [ -0.0002668000000000, -0.0028303300000000, 0.0003987900000000 ] - [ 0.0014600100000000, -0.0010680300000000, -0.0001672000000000 ] - [ -0.0017455200000000, -0.0010764400000000, 0.0000818200000000 ] - [ 0.0006340000000000, 0.0022710900000000, -0.0016635000000000 ] - [ 0.0000441900000000, -0.0029670600000000, 0.0000443800000000 ] - [ 0.0004166400000000, 0.0052268300000000, -0.0002598700000000 ] - [ -0.0000704100000000, -0.0032990500000000, -0.0000259700000000 ] - [ -0.0003014500000000, -0.0048657100000000, -0.0001080800000000 ] - [ 0.0300992200000000, -0.0239495500000000, 0.0069976100000000 ] - [ -0.0307431900000000, -0.0246558500000000, -0.0080136600000000 ] - [ 0.0002932500000000, -0.0048464000000000, 0.0000689900000000 ] - [ 0.0006521800000000, -0.0040696100000000, -0.0001329300000000 ] - [ -0.0065899100000000, 0.0040134100000000, -0.0003805300000000 ] - [ 0.0068090000000000, 0.0041739000000000, 0.0002477500000000 ] - [ -0.0006395200000000, -0.0042504400000000, 0.0001323600000000 ] - [ -0.0001746300000000, 0.0101886300000000, 0.0003350300000000 ] - [ 0.0000699700000000, -0.0033036300000000, 0.0000297400000000 ] - [ -0.0002394100000000, -0.0016314400000000, 0.0006009800000000 ] - [ 0.0005669400000000, -0.0015303000000000, -0.0004598200000000 ] - [ 0.0000003100000000, -0.0003581300000000, 0.0000025400000000 ] - [ -0.0002650400000000, 0.0008277300000000, -0.0004627300000000 ] - [ -0.0001197200000000, 0.0054031000000000, 0.0002632400000000 ] - [ 0.0000533900000000, -0.0039837900000000, 0.0001860300000000 ] - [ -0.0010121800000000, -0.0070642600000000, 0.0036185000000000 ] - [ 0.0011512700000000, -0.0067781300000000, -0.0027248300000000 ] - [ -0.0014436300000000, -0.0017536000000000, 0.0004838800000000 ] - [ 0.0009279400000000, -0.0018497200000000, -0.0003431500000000 ] - [ 0.0012586900000000, 0.4519032600000000, 0.0170479200000000 ] - [ -0.0000854000000000, -0.0045647500000000, -0.0000965700000000 ] - [ 0.0001743200000000, 0.0208787000000000, -0.0001723400000000 ] - [ 0.0000818800000000, -0.0042590900000000, 0.0000956900000000 ] - [ 0.0027585500000000, -0.0074097200000000, 0.0014278700000000 ] - [ -0.0023477200000000, -0.0072301700000000, -0.0016886000000000 ] - [ -0.0027718500000000, -0.0069619300000000, -0.0033464700000000 ] - [ 0.0027866300000000, -0.0069988500000000, 0.0025593000000000 ] - [ -0.0000238800000000, 0.0122291000000000, -0.0005462600000000 ] - [ -0.0000455000000000, -0.0039605000000000, -0.0001850100000000 ] - [ -0.0000673600000000, -0.0036805200000000, -0.0000580100000000 ] - [ -0.0008088100000000, 0.0021968800000000, 0.0019893400000000 ] - [ 0.0002697200000000, -0.0019875700000000, 0.0001727700000000 ] - [ -0.0001601100000000, 0.0011552300000000, 0.0000009100000000 ] - [ -0.0014348400000000, 0.0014690500000000, -0.0013456400000000 ] - [ 0.0017279800000000, 0.0013413000000000, 0.0012877200000000 ] - [ -0.0000153400000000, -0.0007864500000000, -0.0000763000000000 ] - [ 0.0006462500000000, 0.0019181500000000, 0.0000162700000000 ] - [ -0.0006017800000000, 0.0018360800000000, -0.0002435500000000 ] - [ 0.0002406200000000, -0.0006861200000000, -0.0001201000000000 ] - [ -0.0008240100000000, 0.0024507500000000, 0.0000834500000000 ] - [ 0.0015238800000000, -0.0036092700000000, -0.0000600800000000 ] - [ -0.0019655200000000, -0.0042866300000000, -0.0002840900000000 ] - [ 0.0005090400000000, 0.0023976500000000, 0.0000612100000000 ] - [ 0.0003301800000000, 0.0025339600000000, -0.0006039500000000 ] - [ -0.0027363900000000, -0.0052934300000000, 0.0016285400000000 ] - [ 0.0027847200000000, -0.0055460300000000, -0.0015809700000000 ] - [ -0.0003943200000000, 0.0027322500000000, 0.0008294900000000 ] - [ 0.0005576900000000, 0.0012316800000000, -0.0019984500000000 ] - [ -0.0004326100000000, 0.0011914000000000, 0.0017084200000000 ] - [ -0.0000256300000000, 0.0014725400000000, -0.0003261300000000 ] - [ 0.0068740500000000, -0.0357984100000000, -0.0106983200000000 ] - [ 0.0003786700000000, 0.0018906400000000, -0.0005403100000000 ] - [ 0.0000361600000000, -0.0004827100000000, 0.0000945700000000 ] - [ -0.0000271900000000, -0.0002925400000000, -0.0000506000000000 ] - [ -0.0003557600000000, 0.0021880900000000, 0.0005681500000000 ] - [ 0.0009325700000000, 0.0035574100000000, 0.0006018000000000 ] - [ -0.0045802200000000, 0.0051542100000000, 0.0030237600000000 ] - [ 0.0048882000000000, 0.0057944300000000, -0.0032757900000000 ] - [ -0.0009542800000000, 0.0036236600000000, -0.0006589200000000 ] - [ 0.0005997300000000, 0.0029783900000000, 0.0007574500000000 ] - [ -0.0118572100000000, -0.0078065000000000, -0.0020571100000000 ] - [ 0.0125733900000000, -0.0082173300000000, 0.0025150000000000 ] - [ -0.0006229800000000, 0.0029576300000000, -0.0008057800000000 ] - [ -0.0004421200000000, 0.0031930700000000, -0.0007520100000000 ] - [ -0.0002282800000000, 0.0031953900000000, 0.0006866900000000 ] - [ 0.0000289800000000, 0.0014215200000000, -0.0000902900000000 ] - [ 0.0001180000000000, -0.0050050200000000, 0.0000175600000000 ] - [ -0.0000322500000000, 0.0015124300000000, 0.0000882300000000 ] - [ -0.0038547300000000, -0.0271154300000000, -0.0006739100000000 ] - [ 0.0024571500000000, 0.0014769600000000, 0.0000462200000000 ] - [ -0.0018286100000000, 0.0014639200000000, 0.0000855300000000 ] - [ -0.0004923900000000, 0.0031645200000000, -0.0007566400000000 ] - [ 0.0257401800000000, -0.1617766400000000, 0.0885774000000000 ] - [ -0.0301986200000000, -0.1855040100000000, -0.0943441400000000 ] - [ 0.0005190900000000, 0.0031480700000000, 0.0008176200000000 ] - [ -0.0002109800000000, 0.0037481100000000, -0.0004175200000000 ] - [ -0.0037022300000000, 0.0098462300000000, -0.0063271200000000 ] - [ 0.0037511300000000, 0.0098918400000000, 0.0066822200000000 ] - [ 0.0002338200000000, 0.0039184300000000, 0.0005048800000000 ] - [ -0.0009567200000000, 0.0035150300000000, 0.0009207900000000 ] - [ 0.0052146600000000, 0.0045998200000000, 0.0004078200000000 ] - [ -0.0054352800000000, 0.0050096900000000, -0.0004392800000000 ] - [ 0.0009506700000000, 0.0037696600000000, -0.0008866500000000 ] - [ 0.0000287100000000, 0.0014183100000000, 0.0003263400000000 ] - [ -0.0004591400000000, -0.0059497000000000, 0.0000274700000000 ] - [ -0.0001025200000000, 0.0013044500000000, 0.0019640200000000 ] - [ -0.0000407800000000, 0.0013199800000000, -0.0017219700000000 ] - [ -0.0053728700000000, -0.0060979400000000, 0.0030114300000000 ] - [ 0.0005795200000000, 0.0028165300000000, -0.0009202700000000 ] - [ -0.0005258300000000, 0.0026294200000000, 0.0007087000000000 ] - [ 0.0055019900000000, -0.0059807400000000, -0.0029091200000000 ] - [ 0.0008474300000000, 0.0024494900000000, -0.0000430300000000 ] - [ -0.0007348300000000, -0.0034733200000000, -0.0046083300000000 ] - [ 0.0010954100000000, -0.0042835100000000, 0.0056280100000000 ] - [ -0.0005254700000000, 0.0024043100000000, -0.0001025400000000 ] - [ 0.0005030400000000, 0.0019635300000000, 0.0002796200000000 ] - [ 0.0003046300000000, -0.0002482100000000, -0.0015735000000000 ] - [ -0.0007124000000000, -0.0000247400000000, 0.0017150400000000 ] - [ -0.0004823600000000, 0.0020146200000000, -0.0000862000000000 ] - [ -0.0000888400000000, 0.0007151400000000, 0.0001038300000000 ] - [ -0.0001366100000000, 0.0006663400000000, -0.0000720600000000 ] - [ -0.0001362800000000, -0.0020472800000000, 0.0007281600000000 ] - [ 0.0001574600000000, 0.0011541900000000, -0.0000023400000000 ]- atom: 35 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0000990100000000, -0.0000613600000000, -0.0000859400000000 ] - [ -0.0034076600000000, 0.0021371700000000, -0.0029715100000000 ] - [ -0.0032189300000000, -0.0023881200000000, -0.0033416200000000 ] - [ -0.0001168300000000, 0.0000853600000000, -0.0001349300000000 ] - [ -0.0000542300000000, 0.0001722100000000, 0.0001808500000000 ] - [ -0.0029624400000000, -0.0087081900000000, 0.0096683800000000 ] - [ -0.0023655200000000, 0.0081773000000000, 0.0086704600000000 ] - [ -0.0000913600000000, -0.0001848800000000, 0.0002490000000000 ] - [ -0.0009792200000000, -0.0008125600000000, 0.0000491900000000 ] - [ -0.0011212900000000, 0.0009651600000000, 0.0000297800000000 ] - [ -0.0045267700000000, -0.0034826400000000, 0.0053395700000000 ] - [ -0.0001370600000000, 0.0003887000000000, 0.0001171500000000 ] - [ -0.0330589300000000, -0.0000424100000000, 0.0332744500000000 ] - [ -0.0000036400000000, 0.0000186800000000, -0.0000133600000000 ] - [ 0.0002031800000000, -0.0000643500000000, -0.0003549000000000 ] - [ 0.0122324900000000, -0.0022057800000000, -0.0084633400000000 ] - [ 0.0108065500000000, 0.0018048700000000, -0.0061692600000000 ] - [ 0.0002319500000000, -0.0002166400000000, -0.0004513100000000 ] - [ -0.0002617000000000, 0.0002784800000000, 0.0000546000000000 ] - [ -0.0051402700000000, -0.0031605000000000, 0.0005484800000000 ] - [ -0.0047649000000000, 0.0031005800000000, 0.0005400400000000 ] - [ -0.0002825000000000, -0.0003077900000000, 0.0000628300000000 ] - [ 0.0023112100000000, -0.0002252700000000, 0.0048087500000000 ] - [ 0.0000403200000000, 0.0000006000000000, 0.0000440200000000 ] - [ -0.0000788900000000, -0.0008343600000000, 0.0010923000000000 ] - [ -0.0000428000000000, 0.0010071700000000, 0.0012682600000000 ] - [ 0.0000161700000000, -0.0000251400000000, 0.0000016500000000 ] - [ 0.0107144600000000, -0.0003847800000000, 0.0130620900000000 ] - [ -0.0159390800000000, 0.0001825900000000, -0.0096755700000000 ] - [ -0.0000120500000000, 0.0000146800000000, 0.0001283300000000 ] - [ 0.0008019200000000, -0.0012929500000000, -0.0013693900000000 ] - [ 0.0009313100000000, 0.0016766700000000, -0.0014397800000000 ] - [ -0.0000905800000000, 0.0002920900000000, 0.0006020300000000 ] - [ -0.0000358800000000, 0.0000085600000000, 0.0006191300000000 ] - [ 0.2680256900000000, -0.0093819100000000, -0.4426604400000000 ] - [ -0.0000398800000000, 0.0000233700000000, -0.0002368300000000 ] - [ 0.0029212700000000, -0.0002374600000000, -0.0008323500000000 ] - [ 0.0001081000000000, 0.0000244900000000, 0.0001012700000000 ] - [ 0.0006674700000000, 0.0025934500000000, -0.0022985100000000 ] - [ 0.0007740800000000, -0.0024657500000000, -0.0026861900000000 ] - [ 0.0013561000000000, 0.0019107500000000, 0.0008945900000000 ] - [ 0.0016262600000000, -0.0022814400000000, 0.0010528300000000 ] - [ -0.0079065700000000, 0.0000896500000000, 0.0170315900000000 ] - [ -0.0000632300000000, 0.0000147600000000, -0.0000948600000000 ] - [ -0.0001287000000000, -0.0002056900000000, 0.0001249800000000 ] - [ -0.0060674300000000, 0.0046401100000000, 0.0066843200000000 ] - [ -0.0023017700000000, 0.0000506500000000, 0.0089002400000000 ] - [ -0.0001318400000000, 0.0000351600000000, 0.0000243500000000 ] - [ 0.0006001200000000, -0.0001580700000000, 0.0009189200000000 ] - [ 0.0005802800000000, 0.0001536600000000, 0.0010593600000000 ] - [ 0.0019677900000000, 0.0020300400000000, -0.0000047000000000 ] - [ 0.0001835500000000, -0.0002538600000000, -0.0000849600000000 ] - [ 0.0002365100000000, 0.0002386500000000, -0.0000533000000000 ] - [ 0.0024336200000000, -0.0022370200000000, -0.0000214300000000 ] - [ -0.0001078300000000, 0.0000821700000000, -0.0000041600000000 ] - [ 0.0110956700000000, -0.0078471500000000, -0.0050872900000000 ] - [ 0.0121120900000000, 0.0078025400000000, -0.0045643000000000 ] - [ -0.0000708800000000, -0.0001159800000000, 0.0000066800000000 ] - [ 0.0000253700000000, -0.0001186700000000, 0.0001557700000000 ] - [ 0.0049963500000000, 0.0011642300000000, 0.0011185800000000 ] - [ 0.0051007800000000, -0.0012298600000000, 0.0011809100000000 ] - [ 0.0000474500000000, 0.0001249100000000, 0.0001803600000000 ] - [ 0.0001989300000000, 0.0008484600000000, 0.0001748200000000 ] - [ 0.0002083200000000, -0.0010854200000000, 0.0001470800000000 ] - [ -0.0000826700000000, 0.0000137800000000, -0.0002250000000000 ] - [ -0.1637303400000000, 0.0118434000000000, 0.2516714300000000 ] - [ 0.0000464400000000, -0.0002531400000000, 0.0000168700000000 ] - [ 0.0010342900000000, 0.0002610100000000, 0.0000126300000000 ] - [ 0.0009631300000000, -0.0004007400000000, -0.0000393600000000 ] - [ 0.0000352700000000, 0.0001240400000000, -0.0000250100000000 ] - [ -0.0001043300000000, 0.0003045300000000, 0.0003672500000000 ] - [ -0.0019245900000000, -0.0007348400000000, 0.0029872300000000 ] - [ -0.0021548100000000, 0.0002707000000000, 0.0026934400000000 ] - [ -0.0001186600000000, -0.0003771400000000, 0.0003396900000000 ] - [ 0.0000222800000000, 0.0000237800000000, 0.0000455600000000 ] - [ -0.0034525300000000, -0.0018104000000000, 0.0041675800000000 ] - [ -0.0036557600000000, 0.0016949200000000, 0.0031767200000000 ] - [ -0.0000580100000000, -0.0000492100000000, 0.0000396200000000 ] - [ -0.0013339900000000, -0.0003226600000000, 0.0010004200000000 ] - [ -0.0014988500000000, 0.0002607500000000, 0.0011851200000000 ] - [ 0.0000341300000000, -0.0000178300000000, -0.0001138400000000 ] - [ 0.0009223000000000, -0.0000031700000000, -0.0030276300000000 ] - [ -0.0000006100000000, -0.0000176100000000, 0.0001395400000000 ] - [ -0.0822668000000000, -0.0009340000000000, 0.0073941500000000 ] - [ -0.0003708400000000, -0.0002186400000000, 0.0000214200000000 ] - [ -0.0005333600000000, 0.0002192000000000, 0.0000550800000000 ] - [ -0.0000709400000000, -0.0000743000000000, 0.0001003500000000 ] - [ -0.0081734900000000, -0.0651592200000000, 0.0814404100000000 ] - [ -0.0084355200000000, 0.0642556100000000, 0.0747749500000000 ] - [ 0.0000001000000000, 0.0000530000000000, 0.0001352500000000 ] - [ -0.0000855700000000, -0.0006767600000000, 0.0000130300000000 ] - [ -0.0021707300000000, 0.0045542000000000, -0.0034068500000000 ] - [ -0.0017368900000000, -0.0035626500000000, -0.0027718500000000 ] - [ -0.0000931300000000, 0.0008762100000000, 0.0001495600000000 ] - [ 0.0000639100000000, -0.0009100600000000, -0.0000058400000000 ] - [ 0.0016958400000000, 0.0032848400000000, 0.0007345200000000 ] - [ 0.0013997300000000, -0.0030988000000000, 0.0006797800000000 ] - [ 0.0000674300000000, 0.0008330800000000, 0.0000765500000000 ] - [ 0.0000108900000000, 0.0000110200000000, 0.0002961800000000 ] - [ -0.0038867600000000, -0.0000847800000000, -0.0021537300000000 ] - [ -0.0000997500000000, -0.0001559100000000, -0.0009305800000000 ] - [ -0.0001072200000000, 0.0001008800000000, -0.0011057900000000 ] - [ 0.0054950800000000, 0.0008749300000000, -0.0057078600000000 ] - [ 0.0000607600000000, 0.0001570200000000, -0.0002252400000000 ] - [ 0.0000772000000000, -0.0001546900000000, -0.0002029500000000 ] - [ 0.0056684100000000, -0.0009308800000000, -0.0057588000000000 ] - [ 0.0001831300000000, 0.0000605000000000, -0.0000892900000000 ] - [ 0.0018261800000000, 0.0007753300000000, -0.0048075400000000 ] - [ 0.0011299500000000, -0.0007486000000000, -0.0052198900000000 ] - [ 0.0001477400000000, -0.0000486400000000, -0.0000980100000000 ] - [ 0.0000317700000000, 0.0001965900000000, -0.0001845600000000 ] - [ 0.0006060700000000, -0.0010133100000000, -0.0026109600000000 ] - [ 0.0007562400000000, 0.0006269800000000, -0.0021674600000000 ] - [ 0.0001914600000000, -0.0002350100000000, -0.0002322100000000 ] - [ -0.0002374300000000, 0.0001020400000000, -0.0006013100000000 ] - [ -0.0002331000000000, -0.0001224600000000, -0.0007478200000000 ] - [ 0.0060724100000000, 0.0001823000000000, -0.0182648500000000 ] - [ 0.0001289000000000, 0.0000329300000000, -0.0000578700000000 ]- atom: 35 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0000765900000000, 0.0001136200000000, 0.0001988100000000 ] - [ 0.0033802500000000, -0.0020826700000000, 0.0030768900000000 ] - [ 0.0031877300000000, 0.0023287900000000, 0.0033611700000000 ] - [ 0.0000929500000000, -0.0001419300000000, 0.0001665300000000 ] - [ 0.0000870700000000, -0.0001214400000000, -0.0003075200000000 ] - [ 0.0029774900000000, 0.0088718800000000, -0.0098192600000000 ] - [ 0.0023684500000000, -0.0083402900000000, -0.0087066600000000 ] - [ 0.0001071100000000, 0.0001307600000000, -0.0002612000000000 ] - [ 0.0006081600000000, 0.0008459700000000, -0.0001245400000000 ] - [ 0.0007499300000000, -0.0009244000000000, -0.0001048300000000 ] - [ 0.0045216600000000, 0.0037820800000000, -0.0053446600000000 ] - [ 0.0001360400000000, -0.0000614800000000, -0.0001176000000000 ] - [ 0.0327107300000000, 0.0000862400000000, -0.0330062400000000 ] - [ -0.0001746100000000, -0.0000054800000000, -0.0000034500000000 ] - [ -0.0002020400000000, -0.0002014900000000, 0.0003546400000000 ] - [ -0.0121889000000000, 0.0019141800000000, 0.0084646600000000 ] - [ -0.0107760300000000, -0.0020996300000000, 0.0061712900000000 ] - [ -0.0002311400000000, -0.0001008200000000, 0.0004504100000000 ] - [ 0.0002600600000000, -0.0000783200000000, -0.0000541700000000 ] - [ 0.0051474400000000, 0.0033889100000000, -0.0004865900000000 ] - [ 0.0047726000000000, -0.0033618600000000, -0.0004786400000000 ] - [ 0.0002807000000000, 0.0000724500000000, -0.0000621500000000 ] - [ -0.0021625900000000, 0.0002465700000000, -0.0048175500000000 ] - [ 0.0001384100000000, 0.0000120700000000, -0.0000273100000000 ] - [ 0.0004478500000000, 0.0008609300000000, -0.0010198100000000 ] - [ 0.0004113300000000, -0.0009602300000000, -0.0011959400000000 ] - [ -0.0000168700000000, -0.0000247300000000, -0.0000008300000000 ] - [ -0.0106863800000000, 0.0003344300000000, -0.0130638800000000 ] - [ 0.0159750100000000, -0.0001720200000000, 0.0101443500000000 ] - [ 0.0000632900000000, -0.0000059400000000, 0.0002839100000000 ] - [ -0.0007503200000000, 0.0012871700000000, 0.0020746800000000 ] - [ -0.0008791600000000, -0.0016899600000000, 0.0021458600000000 ] - [ -0.0003598800000000, -0.0000411700000000, -0.0004447700000000 ] - [ -0.0004134600000000, 0.0002524200000000, -0.0004620800000000 ] - [ -0.2559119400000000, 0.0079634300000000, 0.4246843300000000 ] - [ -0.0001486100000000, 0.0000140000000000, 0.0000483000000000 ] - [ -0.0026811100000000, 0.0002734200000000, 0.0010588900000000 ] - [ 0.0000814200000000, 0.0000123600000000, 0.0000871200000000 ] - [ -0.0002197300000000, -0.0023312200000000, 0.0021450500000000 ] - [ -0.0003269400000000, 0.0027156000000000, 0.0025344800000000 ] - [ -0.0013957200000000, -0.0019145000000000, -0.0016049700000000 ] - [ -0.0016648700000000, 0.0022656400000000, -0.0017638200000000 ] - [ 0.0079209400000000, -0.0000788200000000, -0.0174789800000000 ] - [ 0.0000113800000000, -0.0000057800000000, -0.0003178200000000 ] - [ 0.0001277800000000, 0.0002679400000000, -0.0001258000000000 ] - [ 0.0060613100000000, -0.0045495500000000, -0.0066944000000000 ] - [ 0.0020531400000000, 0.0000194700000000, -0.0088645700000000 ] - [ -0.0001436900000000, 0.0000367700000000, -0.0000585000000000 ] - [ -0.0003185800000000, 0.0001460900000000, -0.0010061700000000 ] - [ -0.0002990200000000, -0.0001633000000000, -0.0011456100000000 ] - [ -0.0019339000000000, -0.0019373300000000, -0.0001447800000000 ] - [ -0.0001552800000000, 0.0003376000000000, -0.0000723800000000 ] - [ 0.0000211900000000, -0.0002999600000000, 0.0000124600000000 ] - [ -0.0021701600000000, 0.0021666000000000, -0.0000101500000000 ] - [ -0.0001030900000000, -0.0000644700000000, -0.0000105600000000 ] - [ -0.0113014000000000, 0.0078549000000000, 0.0050646500000000 ] - [ -0.0122434600000000, -0.0078345000000000, 0.0045480500000000 ] - [ -0.0000788800000000, 0.0000730300000000, -0.0000061800000000 ] - [ -0.0001045400000000, -0.0000532900000000, 0.0000383200000000 ] - [ -0.0050300900000000, -0.0013120400000000, -0.0009449000000000 ] - [ -0.0051055300000000, 0.0014014900000000, -0.0009645200000000 ] - [ -0.0000957600000000, 0.0000720800000000, 0.0000577400000000 ] - [ -0.0000908900000000, -0.0009411900000000, -0.0003882200000000 ] - [ -0.0000992600000000, 0.0009882600000000, -0.0003610400000000 ] - [ 0.0000543400000000, 0.0000166700000000, -0.0004011200000000 ] - [ 0.1531628500000000, -0.0108122400000000, -0.2355810600000000 ] - [ -0.0000021400000000, -0.0001168600000000, 0.0000436800000000 ] - [ -0.0009934000000000, -0.0006361900000000, 0.0000424800000000 ] - [ -0.0009280600000000, 0.0005311700000000, 0.0000232200000000 ] - [ 0.0000037300000000, 0.0000012600000000, 0.0000142400000000 ] - [ 0.0000799200000000, -0.0003751900000000, -0.0003254000000000 ] - [ 0.0018853300000000, 0.0006723000000000, -0.0029342800000000 ] - [ 0.0020863500000000, -0.0000881600000000, -0.0028222300000000 ] - [ 0.0000646800000000, 0.0005687100000000, -0.0004800700000000 ] - [ 0.0000576500000000, 0.0000016000000000, -0.0000934400000000 ] - [ 0.0035055800000000, 0.0018299400000000, -0.0042076400000000 ] - [ 0.0035455500000000, -0.0017536600000000, -0.0032602900000000 ] - [ -0.0000219300000000, -0.0000123700000000, -0.0001280000000000 ] - [ 0.0007203000000000, 0.0002908400000000, -0.0011235900000000 ] - [ 0.0008859700000000, -0.0002817200000000, -0.0013075900000000 ] - [ 0.0000086600000000, -0.0000129900000000, -0.0000871900000000 ] - [ -0.0009094600000000, -0.0000274500000000, 0.0028154400000000 ] - [ -0.0000428100000000, -0.0000128400000000, 0.0000614400000000 ] - [ 0.0820402600000000, 0.0009133300000000, -0.0063965600000000 ] - [ 0.0009785700000000, 0.0001919800000000, 0.0001037400000000 ] - [ 0.0011391500000000, -0.0002442600000000, 0.0000694100000000 ] - [ -0.0000099200000000, 0.0000993900000000, -0.0000518900000000 ] - [ 0.0072909600000000, 0.0666698500000000, -0.0816240900000000 ] - [ 0.0078402200000000, -0.0653929400000000, -0.0745753600000000 ] - [ 0.0000811600000000, -0.0001145400000000, -0.0000483600000000 ] - [ 0.0001089600000000, 0.0006042900000000, -0.0000557100000000 ] - [ 0.0021844200000000, -0.0045893100000000, 0.0033306900000000 ] - [ 0.0017801300000000, 0.0037250800000000, 0.0028834800000000 ] - [ 0.0001431800000000, -0.0006813300000000, -0.0000069300000000 ] - [ -0.0001079200000000, 0.0005374900000000, -0.0000560700000000 ] - [ -0.0017267600000000, -0.0036621200000000, -0.0008128500000000 ] - [ -0.0014244000000000, 0.0032301500000000, -0.0006881800000000 ] - [ -0.0001042400000000, -0.0007054500000000, -0.0000684100000000 ] - [ 0.0000171900000000, 0.0000187300000000, 0.0003303500000000 ] - [ 0.0039051100000000, 0.0001123400000000, 0.0027685700000000 ] - [ -0.0000098500000000, 0.0000604200000000, 0.0011455500000000 ] - [ -0.0000031900000000, -0.0001951400000000, 0.0013200700000000 ] - [ -0.0055023700000000, -0.0006506100000000, 0.0054773000000000 ] - [ -0.0000114000000000, 0.0000399300000000, -0.0000144700000000 ] - [ 0.0000021200000000, -0.0000177300000000, 0.0000098600000000 ] - [ -0.0056456400000000, 0.0007292500000000, 0.0055721600000000 ] - [ 0.0000272300000000, -0.0000427000000000, 0.0001038100000000 ] - [ -0.0016084400000000, -0.0007715700000000, 0.0048410600000000 ] - [ -0.0009633100000000, 0.0007189300000000, 0.0052452500000000 ] - [ 0.0000033200000000, 0.0000056600000000, 0.0000979900000000 ] - [ -0.0002877600000000, -0.0002561400000000, 0.0002250300000000 ] - [ -0.0008648300000000, 0.0009356600000000, 0.0026538100000000 ] - [ -0.0007849600000000, -0.0005268300000000, 0.0023256500000000 ] - [ -0.0002180500000000, 0.0003171700000000, 0.0003893500000000 ] - [ -0.0000439700000000, -0.0001095400000000, 0.0006857900000000 ] - [ -0.0000479000000000, 0.0001067900000000, 0.0008321000000000 ] - [ -0.0058006800000000, -0.0001148100000000, 0.0183464700000000 ] - [ 0.0001463300000000, 0.0000384100000000, 0.0000932500000000 ]- atom: 45 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0175337400000000, 0.0108157200000000, -0.0004198800000000 ] - [ -0.0000889000000000, -0.0000105600000000, 0.0000524900000000 ] - [ -0.0013642300000000, -0.0009136900000000, 0.0011230000000000 ] - [ -0.0012895800000000, -0.0011313400000000, -0.0012941900000000 ] - [ -0.0174956200000000, -0.0107678700000000, -0.0006871300000000 ] - [ -0.0000585500000000, 0.0000618100000000, -0.0000705700000000 ] - [ -0.0013361200000000, 0.0008669700000000, 0.0010910600000000 ] - [ -0.0012743200000000, 0.0010938000000000, -0.0013283600000000 ] - [ 0.0129859200000000, -0.0223097800000000, 0.0056079200000000 ] - [ -0.0003316900000000, 0.0001591700000000, 0.0001978200000000 ] - [ -0.0045095500000000, 0.0001715500000000, -0.0038373200000000 ] - [ -0.0046642900000000, 0.0001851800000000, 0.0045288800000000 ] - [ -0.0001553100000000, 0.0002879100000000, -0.0001407300000000 ] - [ 0.0155603000000000, -0.0230387300000000, -0.0036468700000000 ] - [ 0.0031758500000000, -0.0001648200000000, -0.0068282000000000 ] - [ 0.0000323300000000, -0.0001476600000000, -0.0001529100000000 ] - [ 0.0003543300000000, -0.0001372600000000, -0.0014837200000000 ] - [ 0.0005792200000000, -0.0001417200000000, -0.0013288500000000 ] - [ 0.0030847500000000, 0.0000952700000000, 0.0066285800000000 ] - [ 0.0000230500000000, 0.0000878200000000, 0.0001352400000000 ] - [ 0.0004676700000000, -0.0001032200000000, 0.0013774200000000 ] - [ 0.0001759100000000, -0.0001062000000000, 0.0010278900000000 ] - [ 0.0000142400000000, -0.0002642100000000, -0.0001209900000000 ] - [ 0.0157920100000000, 0.0229173200000000, -0.0035324500000000 ] - [ 0.0132561800000000, 0.0224557200000000, 0.0058049100000000 ] - [ 0.0000210200000000, -0.0001277700000000, 0.0002830700000000 ] - [ 0.0040726300000000, -0.0000261600000000, -0.0002667300000000 ] - [ 0.0001530600000000, -0.0000258100000000, -0.0000157400000000 ] - [ 0.0002540300000000, -0.0004665800000000, 0.0002941700000000 ] - [ 0.0005924000000000, 0.0039435100000000, 0.0066594800000000 ] - [ 0.0011286500000000, 0.0034977000000000, -0.0093780500000000 ] - [ 0.0002693700000000, -0.0005221500000000, 0.0002084500000000 ] - [ 0.0043200700000000, -0.0006592100000000, 0.0045725900000000 ] - [ -0.0000550900000000, 0.0000489000000000, 0.0000809000000000 ] - [ 0.0000670900000000, 0.0000931200000000, -0.0001514500000000 ] - [ 0.0033590800000000, 0.0008264900000000, -0.0051044200000000 ] - [ 0.0002522700000000, -0.0000404000000000, 0.0000378800000000 ] - [ 0.0035520200000000, -0.0007780000000000, -0.0048931000000000 ] - [ 0.0047933300000000, 0.0008982900000000, 0.0043601700000000 ] - [ 0.0004042600000000, 0.0001991000000000, -0.0001086700000000 ] - [ 0.0011063100000000, -0.0035072000000000, -0.0099805800000000 ] - [ 0.0002410300000000, 0.0005061800000000, -0.0004727100000000 ] - [ 0.0002070700000000, 0.0004880900000000, -0.0001085100000000 ] - [ 0.0005326100000000, -0.0039425100000000, 0.0062944900000000 ] - [ -0.3879547200000000, 0.0007387200000000, -0.0133365700000000 ] - [ -0.0001300900000000, 0.0000178500000000, 0.0000372800000000 ] - [ -0.0002026900000000, 0.0001950200000000, 0.0000354300000000 ] - [ -0.0049704500000000, -0.0039419400000000, -0.0038855800000000 ] - [ -0.0049226300000000, 0.0016185500000000, -0.0047984900000000 ] - [ 0.0001219100000000, -0.0000396600000000, -0.0001007900000000 ] - [ 0.0023725400000000, 0.0072783100000000, 0.0003965100000000 ] - [ 0.0012530600000000, 0.0004434700000000, -0.0006829700000000 ] - [ 0.0915653600000000, -0.0623253700000000, 0.0683012400000000 ] - [ 0.0001970300000000, -0.0000325600000000, -0.0000466300000000 ] - [ 0.1015338900000000, -0.0679960800000000, -0.0655991300000000 ] - [ -0.0000447700000000, -0.0000207300000000, -0.0000126400000000 ] - [ 0.0010952900000000, 0.0001669600000000, 0.0005680100000000 ] - [ 0.0022234000000000, 0.0085216300000000, -0.0008303300000000 ] - [ -0.0002657300000000, -0.0024977100000000, -0.0041304900000000 ] - [ -0.0000290000000000, 0.0000563200000000, 0.0000268600000000 ] - [ -0.0002844200000000, 0.0005335800000000, -0.0003168900000000 ] - [ 0.0008713900000000, -0.0012507500000000, -0.0011125600000000 ] - [ -0.0034130300000000, -0.0063010700000000, 0.0064280200000000 ] - [ 0.0000668000000000, 0.0001640500000000, -0.0001897800000000 ] - [ -0.0054299500000000, 0.0017549700000000, 0.0038200900000000 ] - [ -0.0000688400000000, -0.0000417200000000, -0.0002416600000000 ] - [ -0.0008359300000000, 0.0003402000000000, -0.0039820100000000 ] - [ 0.0000101400000000, -0.0001681000000000, 0.0000093300000000 ] - [ -0.0006943000000000, 0.0000245700000000, -0.0015319600000000 ] - [ 0.0000900300000000, 0.0000248300000000, -0.0001203500000000 ] - [ 0.0004420500000000, -0.0022727900000000, 0.0044892900000000 ] - [ -0.0000019800000000, 0.0001241400000000, 0.0001124200000000 ] - [ 0.0009517400000000, -0.0016860600000000, 0.0020696400000000 ] - [ -0.0003067000000000, 0.0005656800000000, 0.0004068500000000 ] - [ -0.0006695200000000, 0.0005177600000000, 0.0042180500000000 ] - [ 0.0000276900000000, 0.0000262100000000, 0.0000122600000000 ] - [ 0.0000281900000000, -0.0001389600000000, 0.0001772200000000 ] - [ -0.0006332200000000, -0.0000062300000000, 0.0015388200000000 ] - [ -0.0035338400000000, -0.0003224900000000, 0.0015818400000000 ] - [ -0.0005120400000000, 0.0000391000000000, 0.0000269600000000 ] - [ -0.0024728800000000, 0.0003533400000000, -0.0012399100000000 ] - [ -0.0001618700000000, -0.0000673000000000, -0.0001765200000000 ] - [ -0.0025045000000000, -0.0003829900000000, -0.0010321800000000 ] - [ -0.0002049500000000, 0.0000352000000000, 0.0000240900000000 ] - [ -0.0029029800000000, 0.0002968900000000, 0.0016917700000000 ] - [ 0.0001010500000000, -0.0000661100000000, 0.0001505400000000 ] - [ -0.0007561800000000, -0.0004836500000000, 0.0042834500000000 ] - [ -0.0000537100000000, -0.0000004000000000, 0.0000609000000000 ] - [ 0.0001022200000000, 0.0000660900000000, 0.0002638000000000 ] - [ -0.0005566300000000, -0.0000604900000000, 0.0016318700000000 ] - [ 0.0004423800000000, 0.0022188900000000, 0.0044227100000000 ] - [ 0.0000216500000000, -0.0001906500000000, 0.0000643200000000 ] - [ 0.0009924300000000, 0.0018615300000000, 0.0021972400000000 ] - [ -0.0002600900000000, -0.0003847000000000, 0.0005470900000000 ] - [ -0.0008791900000000, -0.0007041000000000, -0.0040167100000000 ] - [ -0.0000360700000000, -0.0001994400000000, -0.0000489200000000 ] - [ -0.0007336000000000, 0.0000964100000000, -0.0015123900000000 ] - [ 0.0000531900000000, 0.0000972100000000, -0.0001062700000000 ] - [ -0.0054250100000000, -0.0017218900000000, 0.0044349900000000 ] - [ -0.0000403600000000, 0.0000674300000000, 0.0003933000000000 ] - [ -0.0035294700000000, 0.0061457400000000, 0.0066142400000000 ] - [ -0.0000525000000000, -0.0002585300000000, 0.0000226600000000 ] - [ -0.0002323600000000, -0.0003366100000000, -0.0005480300000000 ] - [ 0.0009285500000000, 0.0014520000000000, -0.0013485900000000 ] - [ -0.0001675700000000, 0.0023240700000000, -0.0043340500000000 ] - [ 0.0000498500000000, -0.0002305700000000, -0.0001648400000000 ] - [ 0.1002444000000000, 0.0652635500000000, -0.0626836800000000 ] - [ 0.0001662100000000, 0.0000358100000000, 0.0000021600000000 ] - [ 0.0012437400000000, -0.0002119100000000, 0.0005669800000000 ] - [ 0.0023704000000000, -0.0086071900000000, -0.0008390500000000 ] - [ 0.0920448300000000, 0.0643538500000000, 0.0708984500000000 ] - [ -0.0000580400000000, -0.0000282800000000, -0.0000071400000000 ] - [ 0.0023547200000000, -0.0071628000000000, 0.0005384900000000 ] - [ 0.0012334400000000, -0.0003700400000000, -0.0005263800000000 ] - [ -0.0051838200000000, -0.0016314200000000, -0.0047355400000000 ] - [ -0.0001555700000000, 0.0000291300000000, -0.0000201800000000 ] - [ 0.0000833200000000, -0.0001223000000000, 0.0000555000000000 ] - [ -0.0046827500000000, 0.0040478100000000, -0.0038757500000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0097104400000000, -0.0245047000000000, 0.0005279700000000 ] - [ 0.0001027000000000, 0.0026959500000000, 0.0000581800000000 ] - [ 0.0007552200000000, 0.0028480900000000, -0.0021035900000000 ] - [ 0.0010312500000000, 0.0028983200000000, 0.0023658500000000 ] - [ -0.0097104400000000, -0.0245047000000000, -0.0005279700000000 ] - [ -0.0001027000000000, 0.0026959500000000, -0.0000581800000000 ] - [ -0.0007552200000000, 0.0028480900000000, 0.0021035900000000 ] - [ -0.0010312500000000, 0.0028983200000000, -0.0023658500000000 ] - [ -0.0194413300000000, 0.0202246200000000, -0.0074725300000000 ] - [ 0.0002678800000000, 0.0041596700000000, 0.0001381000000000 ] - [ 0.0000000000000000, 0.0075067100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079100900000000, 0.0000000000000000 ] - [ 0.0002862800000000, 0.0039759500000000, -0.0001134100000000 ] - [ -0.0198632100000000, 0.0203398700000000, 0.0052946600000000 ] - [ 0.0000000000000000, -0.0116031400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039967200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024024200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026276900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0112004300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0042749400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026713100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023006200000000, 0.0000000000000000 ] - [ -0.0002862800000000, 0.0039759500000000, 0.0001134100000000 ] - [ 0.0198632100000000, 0.0203398700000000, -0.0052946600000000 ] - [ 0.0194413300000000, 0.0202246200000000, 0.0074725300000000 ] - [ -0.0002678800000000, 0.0041596700000000, -0.0001381000000000 ] - [ 0.0000000000000000, -0.0005266700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003196100000000, 0.0000000000000000 ] - [ -0.0001929900000000, 0.0042350500000000, 0.0000037000000000 ] - [ -0.0001183600000000, -0.0042467500000000, 0.0081379400000000 ] - [ 0.0013224400000000, -0.0046700900000000, -0.0105770100000000 ] - [ -0.0003027300000000, 0.0044146100000000, 0.0005972000000000 ] - [ 0.0021946800000000, -0.0021655900000000, 0.0033431900000000 ] - [ -0.0000841200000000, 0.0038861500000000, -0.0002204800000000 ] - [ -0.0001787300000000, 0.0037209300000000, -0.0004085600000000 ] - [ -0.0026248200000000, -0.0021594900000000, 0.0037694100000000 ] - [ 0.0001787300000000, 0.0037209300000000, 0.0004085600000000 ] - [ 0.0026248200000000, -0.0021594900000000, -0.0037694100000000 ] - [ -0.0021946800000000, -0.0021655900000000, -0.0033431900000000 ] - [ 0.0000841200000000, 0.0038861500000000, 0.0002204800000000 ] - [ -0.0013224400000000, -0.0046700900000000, 0.0105770100000000 ] - [ 0.0003027300000000, 0.0044146100000000, -0.0005972000000000 ] - [ 0.0001929900000000, 0.0042350500000000, -0.0000037000000000 ] - [ 0.0001183600000000, -0.0042467500000000, -0.0081379400000000 ] - [ 0.0000000000000000, -0.4469084100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0046751500000000, 0.0000000000000000 ] - [ 0.0000349600000000, -0.0012518400000000, 0.0000922700000000 ] - [ -0.0047638000000000, -0.0011015700000000, -0.0049960000000000 ] - [ 0.0051531500000000, -0.0010495000000000, 0.0041780600000000 ] - [ -0.0000591900000000, -0.0015820300000000, -0.0002832200000000 ] - [ 0.0001585000000000, -0.0067639000000000, 0.0016051700000000 ] - [ -0.0014747600000000, -0.0036272700000000, -0.0008829300000000 ] - [ -0.0654106700000000, 0.1088171000000000, -0.0787665900000000 ] - [ 0.0009491400000000, -0.0028921400000000, 0.0002276700000000 ] - [ -0.0675036600000000, 0.1044932800000000, 0.0648612300000000 ] - [ 0.0008101800000000, -0.0028971000000000, -0.0002402500000000 ] - [ -0.0014636600000000, -0.0035469500000000, 0.0006404500000000 ] - [ 0.0001540000000000, -0.0075172600000000, -0.0017324700000000 ] - [ 0.0003169300000000, 0.0092703900000000, -0.0020699100000000 ] - [ -0.0005107600000000, -0.0028505500000000, 0.0008206600000000 ] - [ 0.0007292400000000, -0.0025616100000000, 0.0000357400000000 ] - [ -0.0004194300000000, 0.0000298700000000, -0.0014047000000000 ] - [ -0.0062350000000000, -0.0023669600000000, 0.0074884100000000 ] - [ 0.0002525600000000, -0.0018128300000000, -0.0002352300000000 ] - [ 0.0050161900000000, -0.0013303600000000, -0.0044372700000000 ] - [ -0.0001653400000000, -0.0013467000000000, -0.0000636000000000 ] - [ 0.0002929100000000, 0.0046922400000000, 0.0007847000000000 ] - [ -0.0003710100000000, -0.0028935800000000, 0.0007844700000000 ] - [ -0.0001900300000000, -0.0006501400000000, -0.0002024800000000 ] - [ 0.0001738000000000, -0.0020915500000000, -0.0007212100000000 ] - [ -0.0002641700000000, 0.0094631800000000, 0.0025255000000000 ] - [ -0.0004957400000000, -0.0028657800000000, -0.0007202900000000 ] - [ -0.0002897200000000, -0.0003370500000000, 0.0019461900000000 ] - [ 0.0007138600000000, -0.0026761500000000, 0.0000029200000000 ] - [ 0.0002360700000000, 0.0049456200000000, -0.0007138500000000 ] - [ -0.0003765700000000, -0.0027032100000000, -0.0007631000000000 ] - [ 0.0002098300000000, -0.0022687100000000, 0.0006622500000000 ] - [ -0.0002862300000000, -0.0006422400000000, 0.0001080700000000 ] - [ 0.0000220900000000, 0.0014466400000000, 0.0018285600000000 ] - [ -0.0000388400000000, -0.0014279100000000, -0.0001777500000000 ] - [ -0.0013105900000000, 0.0014170800000000, 0.0016188200000000 ] - [ -0.0001671400000000, -0.0013964000000000, -0.0002113600000000 ] - [ 0.0013105900000000, 0.0014170800000000, -0.0016188200000000 ] - [ 0.0001671400000000, -0.0013964000000000, 0.0002113600000000 ] - [ -0.0000220900000000, 0.0014466400000000, -0.0018285600000000 ] - [ 0.0000388400000000, -0.0014279100000000, 0.0001777500000000 ] - [ -0.0002360700000000, 0.0049456200000000, 0.0007138500000000 ] - [ 0.0003765700000000, -0.0027032100000000, 0.0007631000000000 ] - [ -0.0002098300000000, -0.0022687100000000, -0.0006622500000000 ] - [ 0.0002862300000000, -0.0006422400000000, -0.0001080700000000 ] - [ 0.0002641700000000, 0.0094631800000000, -0.0025255000000000 ] - [ 0.0004957400000000, -0.0028657800000000, 0.0007202900000000 ] - [ 0.0002897200000000, -0.0003370500000000, -0.0019461900000000 ] - [ -0.0007138600000000, -0.0026761500000000, -0.0000029200000000 ] - [ -0.0002929100000000, 0.0046922400000000, -0.0007847000000000 ] - [ 0.0003710100000000, -0.0028935800000000, -0.0007844700000000 ] - [ 0.0001900300000000, -0.0006501400000000, 0.0002024800000000 ] - [ -0.0001738000000000, -0.0020915500000000, 0.0007212100000000 ] - [ -0.0050161900000000, -0.0013303600000000, 0.0044372700000000 ] - [ 0.0001653400000000, -0.0013467000000000, 0.0000636000000000 ] - [ 0.0062350000000000, -0.0023669600000000, -0.0074884100000000 ] - [ -0.0002525600000000, -0.0018128300000000, 0.0002352300000000 ] - [ -0.0007292400000000, -0.0025616100000000, -0.0000357400000000 ] - [ 0.0004194300000000, 0.0000298700000000, 0.0014047000000000 ] - [ -0.0003169300000000, 0.0092703900000000, 0.0020699100000000 ] - [ 0.0005107600000000, -0.0028505500000000, -0.0008206600000000 ] - [ 0.0675036600000000, 0.1044932800000000, -0.0648612300000000 ] - [ -0.0008101800000000, -0.0028971000000000, 0.0002402500000000 ] - [ 0.0014636600000000, -0.0035469500000000, -0.0006404500000000 ] - [ -0.0001540000000000, -0.0075172600000000, 0.0017324700000000 ] - [ 0.0654106700000000, 0.1088171000000000, 0.0787665900000000 ] - [ -0.0009491400000000, -0.0028921400000000, -0.0002276700000000 ] - [ -0.0001585000000000, -0.0067639000000000, -0.0016051700000000 ] - [ 0.0014747600000000, -0.0036272700000000, 0.0008829300000000 ] - [ -0.0051531500000000, -0.0010495000000000, -0.0041780600000000 ] - [ 0.0000591900000000, -0.0015820300000000, 0.0002832200000000 ] - [ -0.0000349600000000, -0.0012518400000000, -0.0000922700000000 ] - [ 0.0047638000000000, -0.0011015700000000, 0.0049960000000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0097446100000000, 0.0245472300000000, -0.0002749200000000 ] - [ -0.0001323500000000, -0.0026495300000000, 0.0000612800000000 ] - [ -0.0007744800000000, -0.0028917000000000, 0.0021127300000000 ] - [ -0.0010563000000000, -0.0029399700000000, -0.0023551800000000 ] - [ 0.0097446100000000, 0.0245472300000000, 0.0002749200000000 ] - [ 0.0001323500000000, -0.0026495300000000, -0.0000612800000000 ] - [ 0.0007744800000000, -0.0028917000000000, -0.0021127300000000 ] - [ 0.0010563000000000, -0.0029399700000000, 0.0023551800000000 ] - [ 0.0188871200000000, -0.0201831300000000, 0.0072425900000000 ] - [ -0.0006350300000000, -0.0041258400000000, -0.0002222000000000 ] - [ 0.0000000000000000, -0.0071347300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0075963500000000, 0.0000000000000000 ] - [ -0.0004580000000000, -0.0039504200000000, 0.0000937900000000 ] - [ 0.0198767800000000, -0.0203307600000000, -0.0054238400000000 ] - [ 0.0000000000000000, 0.0112895000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0042806100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027024000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029071300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0113923600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040896400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029038900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025073900000000, 0.0000000000000000 ] - [ 0.0004580000000000, -0.0039504200000000, -0.0000937900000000 ] - [ -0.0198767800000000, -0.0203307600000000, 0.0054238400000000 ] - [ -0.0188871200000000, -0.0201831300000000, -0.0072425900000000 ] - [ 0.0006350300000000, -0.0041258400000000, 0.0002222000000000 ] - [ 0.0000000000000000, 0.0004808500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003710400000000, 0.0000000000000000 ] - [ 0.0002403800000000, -0.0042161600000000, 0.0003947900000000 ] - [ 0.0001580100000000, 0.0042872200000000, -0.0077523800000000 ] - [ -0.0012727600000000, 0.0046225200000000, 0.0111983800000000 ] - [ 0.0003412900000000, -0.0044251300000000, 0.0000915000000000 ] - [ -0.0026696900000000, 0.0023893600000000, -0.0031670700000000 ] - [ -0.0003723600000000, -0.0036279600000000, 0.0003986600000000 ] - [ -0.0000048500000000, -0.0036767500000000, 0.0002131700000000 ] - [ 0.0024316300000000, 0.0022232700000000, -0.0039539200000000 ] - [ 0.0000048500000000, -0.0036767500000000, -0.0002131700000000 ] - [ -0.0024316300000000, 0.0022232700000000, 0.0039539200000000 ] - [ 0.0026696900000000, 0.0023893600000000, 0.0031670700000000 ] - [ 0.0003723600000000, -0.0036279600000000, -0.0003986600000000 ] - [ 0.0012727600000000, 0.0046225200000000, -0.0111983800000000 ] - [ -0.0003412900000000, -0.0044251300000000, -0.0000915000000000 ] - [ -0.0002403800000000, -0.0042161600000000, -0.0003947900000000 ] - [ -0.0001580100000000, 0.0042872200000000, 0.0077523800000000 ] - [ 0.0000000000000000, 0.4474802300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0046248900000000, 0.0000000000000000 ] - [ -0.0003169500000000, 0.0013230300000000, -0.0001022800000000 ] - [ 0.0044990100000000, 0.0011627600000000, 0.0049821000000000 ] - [ -0.0048998700000000, 0.0010805600000000, -0.0042121500000000 ] - [ 0.0003393600000000, 0.0015767300000000, 0.0002517200000000 ] - [ -0.0001254500000000, 0.0068020400000000, -0.0017503100000000 ] - [ 0.0014975900000000, 0.0036937000000000, 0.0007189700000000 ] - [ 0.0631800000000000, -0.1073097000000000, 0.0753440200000000 ] - [ -0.0006929100000000, 0.0028405700000000, -0.0002687800000000 ] - [ 0.0701394500000000, -0.1062804300000000, -0.0680173800000000 ] - [ -0.0010185700000000, 0.0029088600000000, 0.0002181100000000 ] - [ 0.0013135700000000, 0.0034833400000000, -0.0006484200000000 ] - [ -0.0003184000000000, 0.0074797500000000, 0.0017403400000000 ] - [ -0.0003940700000000, -0.0094583100000000, 0.0022632700000000 ] - [ 0.0004391600000000, 0.0026789100000000, -0.0006258100000000 ] - [ -0.0007728600000000, 0.0027561500000000, 0.0002058100000000 ] - [ 0.0003789400000000, 0.0001530200000000, 0.0016426500000000 ] - [ 0.0063275100000000, 0.0022782600000000, -0.0076448700000000 ] - [ -0.0001098000000000, 0.0017252600000000, 0.0000531900000000 ] - [ -0.0050175000000000, 0.0013281500000000, 0.0037972600000000 ] - [ 0.0001310900000000, 0.0013743500000000, -0.0005697600000000 ] - [ -0.0002405900000000, -0.0050446300000000, -0.0007435500000000 ] - [ 0.0004191300000000, 0.0025257800000000, -0.0007222900000000 ] - [ 0.0002321200000000, 0.0007869400000000, 0.0002019500000000 ] - [ -0.0001329900000000, 0.0022068600000000, 0.0007110400000000 ] - [ 0.0002455700000000, -0.0094973500000000, -0.0024656600000000 ] - [ 0.0004668300000000, 0.0027997100000000, 0.0007709000000000 ] - [ 0.0002355500000000, 0.0005274000000000, -0.0020760700000000 ] - [ -0.0007653400000000, 0.0028561900000000, -0.0001365500000000 ] - [ -0.0001602100000000, -0.0049217100000000, 0.0006558800000000 ] - [ 0.0004532600000000, 0.0027286200000000, 0.0007188500000000 ] - [ -0.0002888400000000, 0.0022054400000000, -0.0007474200000000 ] - [ 0.0002068700000000, 0.0005629100000000, -0.0001848000000000 ] - [ -0.0006517800000000, -0.0014604500000000, -0.0019322800000000 ] - [ -0.0005738100000000, 0.0014022700000000, 0.0000628900000000 ] - [ 0.0013467600000000, -0.0014548400000000, -0.0018173800000000 ] - [ 0.0002100200000000, 0.0013651300000000, 0.0000150200000000 ] - [ -0.0013467600000000, -0.0014548400000000, 0.0018173800000000 ] - [ -0.0002100200000000, 0.0013651300000000, -0.0000150200000000 ] - [ 0.0006517800000000, -0.0014604500000000, 0.0019322800000000 ] - [ 0.0005738100000000, 0.0014022700000000, -0.0000628900000000 ] - [ 0.0001602100000000, -0.0049217100000000, -0.0006558800000000 ] - [ -0.0004532600000000, 0.0027286200000000, -0.0007188500000000 ] - [ 0.0002888400000000, 0.0022054400000000, 0.0007474200000000 ] - [ -0.0002068700000000, 0.0005629100000000, 0.0001848000000000 ] - [ -0.0002455700000000, -0.0094973500000000, 0.0024656600000000 ] - [ -0.0004668300000000, 0.0027997100000000, -0.0007709000000000 ] - [ -0.0002355500000000, 0.0005274000000000, 0.0020760700000000 ] - [ 0.0007653400000000, 0.0028561900000000, 0.0001365500000000 ] - [ 0.0002405900000000, -0.0050446300000000, 0.0007435500000000 ] - [ -0.0004191300000000, 0.0025257800000000, 0.0007222900000000 ] - [ -0.0002321200000000, 0.0007869400000000, -0.0002019500000000 ] - [ 0.0001329900000000, 0.0022068600000000, -0.0007110400000000 ] - [ 0.0050175000000000, 0.0013281500000000, -0.0037972600000000 ] - [ -0.0001310900000000, 0.0013743500000000, 0.0005697600000000 ] - [ -0.0063275100000000, 0.0022782600000000, 0.0076448700000000 ] - [ 0.0001098000000000, 0.0017252600000000, -0.0000531900000000 ] - [ 0.0007728600000000, 0.0027561500000000, -0.0002058100000000 ] - [ -0.0003789400000000, 0.0001530200000000, -0.0016426500000000 ] - [ 0.0003940700000000, -0.0094583100000000, -0.0022632700000000 ] - [ -0.0004391600000000, 0.0026789100000000, 0.0006258100000000 ] - [ -0.0701394500000000, -0.1062804300000000, 0.0680173800000000 ] - [ 0.0010185700000000, 0.0029088600000000, -0.0002181100000000 ] - [ -0.0013135700000000, 0.0034833400000000, 0.0006484200000000 ] - [ 0.0003184000000000, 0.0074797500000000, -0.0017403400000000 ] - [ -0.0631800000000000, -0.1073097000000000, -0.0753440200000000 ] - [ 0.0006929100000000, 0.0028405700000000, 0.0002687800000000 ] - [ 0.0001254500000000, 0.0068020400000000, 0.0017503100000000 ] - [ -0.0014975900000000, 0.0036937000000000, -0.0007189700000000 ] - [ 0.0048998700000000, 0.0010805600000000, 0.0042121500000000 ] - [ -0.0003393600000000, 0.0015767300000000, -0.0002517200000000 ] - [ 0.0003169500000000, 0.0013230300000000, 0.0001022800000000 ] - [ -0.0044990100000000, 0.0011627600000000, -0.0049821000000000 ]- atom: 45 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0081983500000000, -0.0047509600000000, 0.0424965200000000 ] - [ 0.0000285700000000, 0.0000520600000000, 0.0000836700000000 ] - [ 0.0001429800000000, -0.0010725900000000, 0.0007942800000000 ] - [ 0.0011432500000000, 0.0019260600000000, 0.0019344400000000 ] - [ 0.0084043900000000, 0.0047919300000000, 0.0429214900000000 ] - [ 0.0000583400000000, 0.0000141600000000, -0.0000435000000000 ] - [ 0.0001738900000000, 0.0010086200000000, 0.0007696900000000 ] - [ 0.0011636900000000, -0.0019884900000000, 0.0019104000000000 ] - [ 0.0073882000000000, -0.0078121100000000, -0.0083826300000000 ] - [ 0.0000452800000000, 0.0000212900000000, -0.0004407500000000 ] - [ -0.0010252300000000, 0.0001483400000000, -0.0031143200000000 ] - [ 0.0059374500000000, 0.0001599400000000, -0.0068967400000000 ] - [ -0.0001759200000000, -0.0001869800000000, -0.0001768800000000 ] - [ -0.0199503000000000, 0.0271076900000000, -0.0015552000000000 ] - [ -0.0068179400000000, -0.0001547200000000, 0.0125027500000000 ] - [ -0.0000571600000000, -0.0001168000000000, 0.0002079800000000 ] - [ -0.0006277000000000, -0.0001617200000000, 0.0022169900000000 ] - [ -0.0008366400000000, -0.0001705100000000, 0.0018389700000000 ] - [ 0.0037697100000000, 0.0001053000000000, 0.0061270000000000 ] - [ 0.0000253800000000, 0.0001159500000000, 0.0000623500000000 ] - [ 0.0002086400000000, -0.0001281900000000, 0.0007177800000000 ] - [ 0.0003458500000000, -0.0001273600000000, 0.0008623100000000 ] - [ 0.0000048400000000, 0.0001980100000000, -0.0001580300000000 ] - [ -0.0197864200000000, -0.0272075100000000, -0.0015104800000000 ] - [ 0.0076887000000000, 0.0077957000000000, -0.0082797300000000 ] - [ 0.0004133500000000, 0.0000275400000000, -0.0003758000000000 ] - [ -0.0033706800000000, -0.0000261900000000, -0.0007775000000000 ] - [ -0.0000129600000000, -0.0000255500000000, -0.0000543000000000 ] - [ 0.0001780100000000, -0.0002631500000000, 0.0001287300000000 ] - [ 0.0050189000000000, 0.0038513300000000, -0.0064767100000000 ] - [ -0.0053927500000000, -0.0077369900000000, 0.0023973000000000 ] - [ -0.0003323100000000, 0.0007345600000000, 0.0004684700000000 ] - [ -0.0004783400000000, -0.0013270600000000, 0.0043247600000000 ] - [ -0.0003819300000000, 0.0002331600000000, 0.0002328300000000 ] - [ -0.0001154600000000, 0.0000371800000000, 0.0001009100000000 ] - [ -0.0031305200000000, -0.0021298900000000, 0.0083255100000000 ] - [ 0.0000810800000000, 0.0000010200000000, 0.0002753600000000 ] - [ -0.0029480600000000, 0.0021238900000000, 0.0084895100000000 ] - [ 0.0000108000000000, 0.0015956600000000, 0.0042019900000000 ] - [ 0.0000697900000000, 0.0000367300000000, 0.0001019100000000 ] - [ -0.0054876500000000, 0.0078142200000000, 0.0016581000000000 ] - [ -0.0003869000000000, -0.0007269900000000, -0.0002723900000000 ] - [ 0.0001171100000000, 0.0002639300000000, -0.0002920000000000 ] - [ 0.0049408300000000, -0.0038481700000000, -0.0069157700000000 ] - [ 0.1808874100000000, 0.0064116100000000, -0.4819749600000000 ] - [ 0.0000970000000000, 0.0000508400000000, -0.0001697800000000 ] - [ -0.0001349500000000, 0.0000598900000000, 0.0001069900000000 ] - [ 0.0046438900000000, 0.0029806200000000, 0.0077654300000000 ] - [ -0.0032240800000000, 0.0015118300000000, -0.0023713000000000 ] - [ 0.0000888200000000, -0.0000214300000000, -0.0000402400000000 ] - [ -0.0001570800000000, 0.0042063600000000, 0.0012949900000000 ] - [ -0.0015439100000000, -0.0007397600000000, 0.0009436400000000 ] - [ 0.0133564200000000, -0.0336359500000000, 0.0813357100000000 ] - [ 0.0000657900000000, -0.0000689500000000, 0.0000550600000000 ] - [ -0.1025029900000000, 0.0858808100000000, 0.1263876700000000 ] - [ -0.0001321500000000, 0.0000782400000000, 0.0000495700000000 ] - [ 0.0002529800000000, 0.0004407400000000, 0.0005377800000000 ] - [ -0.0025745000000000, -0.0120016800000000, 0.0015506500000000 ] - [ -0.0058996300000000, -0.0021951400000000, -0.0028851100000000 ] - [ -0.0000572800000000, -0.0000178900000000, 0.0000844000000000 ] - [ -0.0002126300000000, 0.0003243400000000, -0.0001130400000000 ] - [ -0.0012811800000000, -0.0006701500000000, 0.0004770900000000 ] - [ 0.0005055500000000, 0.0025819900000000, 0.0051924000000000 ] - [ 0.0000519200000000, -0.0003109600000000, 0.0000953300000000 ] - [ 0.0079718700000000, -0.0028584700000000, -0.0061623300000000 ] - [ 0.0000709300000000, 0.0000750200000000, -0.0003776000000000 ] - [ -0.0013867800000000, 0.0012380500000000, -0.0035306000000000 ] - [ 0.0000347300000000, -0.0001908900000000, -0.0000154000000000 ] - [ -0.0000577700000000, -0.0000272100000000, -0.0012948900000000 ] - [ -0.0000854100000000, -0.0000393500000000, -0.0002475500000000 ] - [ 0.0056797300000000, 0.0040787100000000, -0.0072494800000000 ] - [ -0.0000131900000000, -0.0002526900000000, -0.0000889500000000 ] - [ 0.0002118700000000, 0.0023419400000000, -0.0013686800000000 ] - [ 0.0004038700000000, -0.0005691400000000, -0.0007338200000000 ] - [ 0.0021821400000000, -0.0018121600000000, -0.0072483000000000 ] - [ 0.0000391900000000, -0.0000030300000000, -0.0001031300000000 ] - [ -0.0000057000000000, 0.0001395900000000, -0.0004776800000000 ] - [ 0.0005835900000000, -0.0001011300000000, -0.0025816100000000 ] - [ 0.0020365100000000, 0.0005569800000000, -0.0015577600000000 ] - [ -0.0000313000000000, -0.0000846800000000, -0.0001862700000000 ] - [ 0.0002118500000000, 0.0002756200000000, -0.0001694300000000 ] - [ -0.0000531500000000, -0.0000437600000000, -0.0001535000000000 ] - [ 0.0001587200000000, -0.0003036200000000, 0.0000330700000000 ] - [ -0.0001031400000000, 0.0000074600000000, 0.0000571400000000 ] - [ 0.0026773400000000, -0.0005909500000000, -0.0014533100000000 ] - [ 0.0005737000000000, 0.0000595700000000, -0.0000818000000000 ] - [ 0.0020922700000000, 0.0018707800000000, -0.0072179700000000 ] - [ -0.0000391900000000, 0.0000176800000000, -0.0000471800000000 ] - [ 0.0000801300000000, -0.0002148600000000, -0.0003930000000000 ] - [ 0.0006725400000000, 0.0000429300000000, -0.0024949400000000 ] - [ 0.0057394200000000, -0.0041815300000000, -0.0073370200000000 ] - [ 0.0000080000000000, 0.0001789700000000, -0.0001337800000000 ] - [ 0.0002688100000000, -0.0021651300000000, -0.0012393800000000 ] - [ 0.0004633200000000, 0.0007664000000000, -0.0005997400000000 ] - [ -0.0014504600000000, -0.0016074700000000, -0.0035977500000000 ] - [ -0.0000107800000000, -0.0001836900000000, -0.0000777500000000 ] - [ -0.0001107500000000, 0.0001570800000000, -0.0012904900000000 ] - [ -0.0001315800000000, 0.0001686400000000, -0.0002415400000000 ] - [ 0.0079645100000000, 0.0028911500000000, -0.0055260100000000 ] - [ 0.0000926100000000, -0.0000498200000000, 0.0002440900000000 ] - [ 0.0003854800000000, -0.0027096100000000, 0.0054504200000000 ] - [ -0.0000747400000000, 0.0002137100000000, 0.0003103700000000 ] - [ -0.0001655500000000, -0.0001357500000000, -0.0003662000000000 ] - [ -0.0012311100000000, 0.0008593300000000, 0.0002276100000000 ] - [ -0.0058261400000000, 0.0020272100000000, -0.0030726300000000 ] - [ 0.0000297400000000, -0.0001591900000000, -0.0001228600000000 ] - [ -0.1077430700000000, -0.0924192300000000, 0.1318833500000000 ] - [ 0.0000627600000000, -0.0000651700000000, 0.0000659100000000 ] - [ 0.0003875700000000, -0.0004854500000000, 0.0005472700000000 ] - [ -0.0024349300000000, 0.0119338800000000, 0.0015567800000000 ] - [ 0.0138812100000000, 0.0339500000000000, 0.0813182300000000 ] - [ -0.0001759900000000, 0.0000127000000000, 0.0001040000000000 ] - [ -0.0001783100000000, -0.0040914300000000, 0.0014560600000000 ] - [ -0.0015624600000000, 0.0008183600000000, 0.0011063600000000 ] - [ -0.0034542900000000, -0.0015058500000000, -0.0022696100000000 ] - [ -0.0001795200000000, 0.0000064700000000, 0.0000415400000000 ] - [ 0.0001388300000000, 0.0000059400000000, 0.0001526900000000 ] - [ 0.0049301400000000, -0.0029105900000000, 0.0078034900000000 ]- atom: 47 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0000910900000000, 0.0000710100000000, 0.0001320700000000 ] - [ -0.0023676300000000, -0.0008254400000000, 0.0014941800000000 ] - [ -0.0021880800000000, 0.0008339200000000, 0.0013968600000000 ] - [ -0.0001046300000000, -0.0000507900000000, 0.0000985700000000 ] - [ 0.0000375200000000, 0.0000439600000000, -0.0001618400000000 ] - [ -0.0003820400000000, -0.0002304100000000, -0.0034401000000000 ] - [ -0.0005930300000000, 0.0005679400000000, -0.0033326300000000 ] - [ 0.0000424000000000, -0.0000239200000000, -0.0001193000000000 ] - [ 0.0008863600000000, 0.0008710800000000, -0.0001631000000000 ] - [ 0.0009681900000000, -0.0009442900000000, -0.0001143500000000 ] - [ -0.0035057500000000, 0.0039493400000000, 0.0016076200000000 ] - [ -0.0000435500000000, 0.0000349000000000, -0.0000178000000000 ] - [ -0.0080062800000000, -0.0002273200000000, 0.0016112800000000 ] - [ -0.0001464300000000, 0.0000228200000000, 0.0000075700000000 ] - [ -0.0000142000000000, -0.0002083000000000, -0.0000636000000000 ] - [ -0.0006372200000000, 0.0021288300000000, -0.0004513400000000 ] - [ -0.0005690300000000, -0.0022600600000000, -0.0005508800000000 ] - [ -0.0000164500000000, -0.0000443500000000, -0.0000608400000000 ] - [ 0.0000772500000000, 0.0000759000000000, -0.0000020500000000 ] - [ 0.0025968800000000, -0.0008846300000000, 0.0024368600000000 ] - [ 0.0024156600000000, 0.0009492000000000, 0.0023518100000000 ] - [ 0.0000861700000000, -0.0000657500000000, -0.0000038000000000 ] - [ 0.0435346200000000, -0.0005667400000000, 0.0274851600000000 ] - [ 0.0001406700000000, 0.0000223000000000, -0.0000028300000000 ] - [ -0.0006209400000000, 0.0004282800000000, 0.0002556800000000 ] - [ -0.0007596200000000, -0.0005575700000000, 0.0002126600000000 ] - [ 0.0000043000000000, -0.0000275400000000, 0.0000034400000000 ] - [ 0.0148046600000000, 0.0005358200000000, 0.0027409000000000 ] - [ 0.0464234200000000, 0.0000999300000000, -0.0163169100000000 ] - [ 0.0000685900000000, 0.0000147200000000, 0.0002093700000000 ] - [ -0.0003726600000000, -0.0004824200000000, 0.0004563900000000 ] - [ -0.0003644900000000, 0.0005462000000000, 0.0005219600000000 ] - [ -0.0004510900000000, 0.0003336700000000, 0.0005914600000000 ] - [ -0.0004676500000000, -0.0000960200000000, 0.0006819300000000 ] - [ -0.0067715000000000, -0.0003744400000000, -0.0063562900000000 ] - [ -0.0000744700000000, 0.0000388700000000, -0.0000756500000000 ] - [ -0.0035971400000000, -0.0002527900000000, 0.0048102100000000 ] - [ 0.0000768100000000, 0.0000366100000000, 0.0000739600000000 ] - [ 0.0006737400000000, -0.0001998500000000, -0.0003513900000000 ] - [ 0.0007153800000000, 0.0004946800000000, -0.0003297200000000 ] - [ 0.0002806200000000, -0.0000843000000000, -0.0004794000000000 ] - [ 0.0002398200000000, 0.0001796800000000, -0.0005688200000000 ] - [ -0.0027356800000000, -0.0001151500000000, 0.0027503300000000 ] - [ -0.0000431400000000, 0.0000149900000000, -0.0001989500000000 ] - [ -0.0000592600000000, 0.0002028700000000, -0.0000312000000000 ] - [ -0.0048471400000000, -0.0046296600000000, 0.0027750200000000 ] - [ -0.0967559400000000, 0.0002096100000000, -0.0231313900000000 ] - [ -0.0001732200000000, 0.0000342000000000, -0.0000072300000000 ] - [ -0.0003491900000000, 0.0000265400000000, -0.0000565900000000 ] - [ -0.0004196200000000, -0.0000345500000000, -0.0000548700000000 ] - [ 0.0000909200000000, -0.0014214900000000, -0.0004769500000000 ] - [ -0.0000156800000000, 0.0003456100000000, -0.0001031800000000 ] - [ 0.0001331800000000, -0.0003282900000000, 0.0000031200000000 ] - [ 0.0002840700000000, 0.0014773800000000, -0.0005994300000000 ] - [ -0.0000375600000000, -0.0000477000000000, -0.0000485800000000 ] - [ 0.0030856100000000, -0.0002817000000000, -0.0009616400000000 ] - [ 0.0036005800000000, 0.0000934000000000, -0.0008498800000000 ] - [ -0.0000154200000000, -0.0000008700000000, -0.0000404100000000 ] - [ -0.0000634600000000, -0.0001011000000000, 0.0000864600000000 ] - [ -0.0046547100000000, 0.0057494700000000, -0.0115892700000000 ] - [ -0.0046195400000000, -0.0056320500000000, -0.0111794600000000 ] - [ -0.0000504600000000, 0.0001034800000000, 0.0001003500000000 ] - [ 0.0004910400000000, 0.0000455800000000, -0.0003660400000000 ] - [ 0.0005202300000000, -0.0001266100000000, -0.0004279800000000 ] - [ -0.0000002200000000, 0.0000115600000000, -0.0003382100000000 ] - [ 0.0063132900000000, 0.0000511600000000, 0.0036786000000000 ] - [ 0.0000098300000000, -0.0002909800000000, -0.0000128800000000 ] - [ 0.0006107200000000, 0.0008938900000000, -0.0009529700000000 ] - [ 0.0005591800000000, -0.0008960500000000, -0.0009232400000000 ] - [ 0.0000090600000000, 0.0001642000000000, -0.0000629300000000 ] - [ 0.0000889800000000, 0.0001116000000000, 0.0000443600000000 ] - [ 0.0004778800000000, -0.0005943200000000, -0.0003064300000000 ] - [ 0.0004397400000000, 0.0005642100000000, -0.0003909200000000 ] - [ 0.0000809900000000, -0.0000875000000000, -0.0000485100000000 ] - [ 0.0000592900000000, 0.0000274500000000, -0.0000145900000000 ] - [ 0.0013574500000000, -0.0010627700000000, -0.0014548400000000 ] - [ 0.0010754200000000, 0.0011274700000000, -0.0014249100000000 ] - [ -0.0000135200000000, -0.0000678800000000, -0.0000316000000000 ] - [ -0.0003349000000000, 0.0002478500000000, 0.0000641000000000 ] - [ -0.0003435500000000, -0.0003033700000000, 0.0000501100000000 ] - [ 0.0000391900000000, -0.0000200900000000, -0.0000952600000000 ] - [ 0.0014687000000000, -0.0000161400000000, -0.0017903400000000 ] - [ -0.0000551600000000, -0.0000199400000000, 0.0000885200000000 ] - [ 0.0045913000000000, -0.0001751600000000, 0.0199443700000000 ] - [ 0.0003974900000000, 0.0000676000000000, -0.0000830800000000 ] - [ 0.0004418300000000, -0.0001146400000000, -0.0000929600000000 ] - [ -0.0000434600000000, 0.0000263200000000, 0.0000363700000000 ] - [ 0.0009525600000000, -0.0022844000000000, 0.0024878700000000 ] - [ 0.0010957500000000, 0.0024281100000000, 0.0026325300000000 ] - [ 0.0000308400000000, -0.0000713400000000, 0.0000506500000000 ] - [ -0.0000029000000000, -0.0000232200000000, 0.0000310300000000 ] - [ -0.0003987500000000, -0.0003877700000000, 0.0008655900000000 ] - [ -0.0004105600000000, 0.0002533400000000, 0.0009275000000000 ] - [ 0.0000063800000000, 0.0000353500000000, 0.0001275700000000 ] - [ -0.0000842900000000, -0.0000960700000000, 0.0000373200000000 ] - [ -0.0006587000000000, -0.0003109200000000, 0.0000513300000000 ] - [ -0.0006598200000000, 0.0001306600000000, 0.0001103900000000 ] - [ -0.0000957100000000, -0.0000593200000000, 0.0000776800000000 ] - [ -0.0000002000000000, 0.0000100700000000, 0.0003377100000000 ] - [ -0.0066250800000000, -0.0000104800000000, -0.0089469400000000 ] - [ -0.0004880900000000, -0.0001083100000000, 0.0002973200000000 ] - [ -0.0005100700000000, 0.0000241600000000, 0.0003485200000000 ] - [ 0.0002927200000000, 0.0009886700000000, -0.0007782100000000 ] - [ 0.0000226800000000, 0.0000894000000000, -0.0000952700000000 ] - [ 0.0000377100000000, -0.0000875700000000, -0.0000800600000000 ] - [ 0.0001977600000000, -0.0009277400000000, -0.0007006500000000 ] - [ 0.0000666400000000, -0.0000484400000000, 0.0000536200000000 ] - [ 0.0059741900000000, 0.0061631300000000, 0.0070566500000000 ] - [ 0.0049542200000000, -0.0051881300000000, 0.0083661200000000 ] - [ 0.0000402600000000, 0.0000017800000000, 0.0000430700000000 ] - [ -0.0000950300000000, -0.0002259300000000, 0.0000071400000000 ] - [ 0.0017470500000000, 0.0018496300000000, 0.0002619200000000 ] - [ 0.0014187300000000, -0.0014261800000000, 0.0002728100000000 ] - [ 0.0000443900000000, 0.0002611800000000, 0.0001026200000000 ] - [ 0.0000722700000000, -0.0000164200000000, -0.0001296200000000 ] - [ 0.0000902900000000, -0.0000233000000000, -0.0001472800000000 ] - [ 0.0002947800000000, -0.0000747400000000, -0.0013650500000000 ] - [ 0.0001667800000000, 0.0000336900000000, 0.0000038400000000 ]- atom: 47 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0000671200000000, -0.0000253300000000, -0.0000161000000000 ] - [ 0.0023572400000000, 0.0008736300000000, -0.0013582200000000 ] - [ 0.0021767500000000, -0.0008795000000000, -0.0013474700000000 ] - [ 0.0000794300000000, 0.0000075400000000, -0.0000648100000000 ] - [ -0.0000057000000000, -0.0000026200000000, 0.0000327200000000 ] - [ 0.0004104300000000, 0.0002691500000000, 0.0032964100000000 ] - [ 0.0006055500000000, -0.0006076500000000, 0.0033048000000000 ] - [ -0.0000262500000000, -0.0000169700000000, 0.0000988400000000 ] - [ -0.0012468700000000, -0.0008393500000000, 0.0000786400000000 ] - [ -0.0013275800000000, 0.0009728200000000, 0.0000301600000000 ] - [ 0.0034896200000000, -0.0035640500000000, -0.0016088600000000 ] - [ 0.0000431000000000, 0.0003143400000000, 0.0000183900000000 ] - [ 0.0078201400000000, 0.0002503300000000, -0.0016311900000000 ] - [ -0.0000209900000000, -0.0000005300000000, -0.0000285100000000 ] - [ 0.0000142300000000, -0.0000940300000000, 0.0000634400000000 ] - [ 0.0006424300000000, -0.0024239800000000, 0.0004538000000000 ] - [ 0.0005741700000000, 0.0019729000000000, 0.0005523500000000 ] - [ 0.0000164200000000, -0.0002365300000000, 0.0000607300000000 ] - [ -0.0000780600000000, 0.0000899300000000, 0.0000016900000000 ] - [ -0.0026196800000000, 0.0010800900000000, -0.0024684600000000 ] - [ -0.0024387700000000, -0.0011820300000000, -0.0023836500000000 ] - [ -0.0000867200000000, -0.0001366900000000, 0.0000034600000000 ] - [ -0.0429294800000000, 0.0005847800000000, -0.0259437500000000 ] - [ 0.0000278900000000, -0.0000008400000000, 0.0000238500000000 ] - [ 0.0009825600000000, -0.0003936700000000, -0.0001707000000000 ] - [ 0.0011200400000000, 0.0005828200000000, -0.0001280000000000 ] - [ -0.0000053400000000, -0.0000242300000000, -0.0000029500000000 ] - [ -0.0164511300000000, -0.0005714400000000, -0.0022090400000000 ] - [ -0.0468508300000000, -0.0000765100000000, 0.0176003200000000 ] - [ -0.0000266500000000, 0.0000078000000000, 0.0001925300000000 ] - [ 0.0004058700000000, 0.0004626200000000, 0.0002308900000000 ] - [ 0.0003974200000000, -0.0005691100000000, 0.0001661100000000 ] - [ -0.0000083000000000, -0.0000952200000000, -0.0004167300000000 ] - [ 0.0000075800000000, 0.0003496900000000, -0.0005079800000000 ] - [ 0.0065384400000000, 0.0004228500000000, 0.0061674600000000 ] - [ -0.0001067600000000, 0.0000103100000000, -0.0001146700000000 ] - [ 0.0037599600000000, 0.0002995900000000, -0.0045852300000000 ] - [ 0.0001042100000000, 0.0000126500000000, 0.0001164000000000 ] - [ -0.0002165200000000, 0.0004420600000000, 0.0001714200000000 ] - [ -0.0002579300000000, -0.0002452000000000, 0.0001498100000000 ] - [ -0.0003120100000000, 0.0000652300000000, -0.0002068500000000 ] - [ -0.0002710200000000, -0.0002033900000000, -0.0001180900000000 ] - [ 0.0026764700000000, 0.0001384000000000, -0.0031794200000000 ] - [ 0.0000011400000000, 0.0000075300000000, -0.0002039400000000 ] - [ 0.0000591100000000, -0.0001737200000000, 0.0000311200000000 ] - [ 0.0048287100000000, 0.0046133000000000, -0.0027695500000000 ] - [ 0.0983411600000000, -0.0001663500000000, 0.0201746100000000 ] - [ -0.0001078200000000, 0.0000380200000000, -0.0000080200000000 ] - [ 0.0006278100000000, -0.0000272300000000, 0.0000187700000000 ] - [ 0.0006981600000000, 0.0000305500000000, 0.0000158200000000 ] - [ -0.0000798600000000, 0.0014777200000000, 0.0003071200000000 ] - [ 0.0000323700000000, -0.0002821800000000, -0.0000586000000000 ] - [ 0.0001152100000000, 0.0002886500000000, -0.0000539900000000 ] - [ -0.0000420100000000, -0.0015074200000000, 0.0005385100000000 ] - [ -0.0001677300000000, 0.0000624700000000, 0.0000220200000000 ] - [ -0.0032791400000000, 0.0003065700000000, 0.0009309000000000 ] - [ -0.0037298900000000, -0.0001616400000000, 0.0008333700000000 ] - [ -0.0001303000000000, -0.0000570300000000, 0.0000322400000000 ] - [ -0.0000060900000000, -0.0000626400000000, 0.0001089900000000 ] - [ 0.0045258200000000, -0.0059098400000000, 0.0118015900000000 ] - [ 0.0045225700000000, 0.0058125600000000, 0.0114384500000000 ] - [ 0.0000109500000000, 0.0000792400000000, 0.0001390300000000 ] - [ -0.0003459300000000, -0.0001324800000000, 0.0001834900000000 ] - [ -0.0003753400000000, 0.0000425600000000, 0.0002447800000000 ] - [ -0.0000355800000000, 0.0000147400000000, -0.0002932500000000 ] - [ -0.0063564000000000, -0.0000239400000000, -0.0043320200000000 ] - [ 0.0000403100000000, -0.0000661900000000, 0.0000769100000000 ] - [ -0.0005645000000000, -0.0012683600000000, 0.0010247100000000 ] - [ -0.0005183700000000, 0.0010310600000000, 0.0009258100000000 ] - [ 0.0000353200000000, -0.0000467800000000, 0.0000578700000000 ] - [ -0.0001181900000000, -0.0001689200000000, 0.0000103100000000 ] - [ -0.0005080700000000, 0.0005367400000000, 0.0003582700000000 ] - [ -0.0004994100000000, -0.0003805700000000, 0.0002572900000000 ] - [ -0.0001394500000000, 0.0002709200000000, -0.0000824700000000 ] - [ 0.0000181200000000, 0.0000059500000000, -0.0000249900000000 ] - [ -0.0012831300000000, 0.0010895300000000, 0.0014058100000000 ] - [ -0.0011591400000000, -0.0011975100000000, 0.0013376400000000 ] - [ -0.0000663600000000, -0.0000089200000000, -0.0000474700000000 ] - [ -0.0002699100000000, -0.0002700000000000, -0.0001680000000000 ] - [ -0.0002612100000000, 0.0002811000000000, -0.0001539600000000 ] - [ 0.0000021200000000, -0.0000140100000000, -0.0001013400000000 ] - [ -0.0014199100000000, -0.0000179300000000, 0.0015999500000000 ] - [ 0.0000134500000000, -0.0000137800000000, 0.0001076800000000 ] - [ -0.0046232300000000, 0.0001444900000000, -0.0198897900000000 ] - [ 0.0002053800000000, -0.0000884000000000, 0.0001870700000000 ] - [ 0.0001608900000000, 0.0000924600000000, 0.0001971400000000 ] - [ -0.0000350900000000, 0.0000069100000000, 0.0000032700000000 ] - [ -0.0010267200000000, 0.0023157500000000, -0.0024466400000000 ] - [ -0.0010099700000000, -0.0025031100000000, -0.0025525600000000 ] - [ 0.0000498700000000, -0.0000052900000000, 0.0000271500000000 ] - [ 0.0000323400000000, -0.0000338000000000, -0.0000877100000000 ] - [ 0.0004257100000000, 0.0003324000000000, -0.0009189700000000 ] - [ 0.0004647300000000, -0.0000719400000000, -0.0007927200000000 ] - [ 0.0000503000000000, 0.0001485900000000, 0.0000041500000000 ] - [ 0.0000340900000000, -0.0002623400000000, -0.0001002700000000 ] - [ 0.0006116700000000, -0.0000526200000000, -0.0001127600000000 ] - [ 0.0006198700000000, -0.0000054200000000, -0.0001050300000000 ] - [ 0.0000527500000000, 0.0001783600000000, -0.0000729800000000 ] - [ 0.0000357700000000, 0.0000156800000000, 0.0002932000000000 ] - [ 0.0066595300000000, 0.0000394700000000, 0.0095339600000000 ] - [ 0.0003419400000000, 0.0000218800000000, -0.0001160400000000 ] - [ 0.0003640800000000, -0.0001088000000000, -0.0001660900000000 ] - [ -0.0002453600000000, -0.0008059200000000, 0.0005490700000000 ] - [ 0.0000178700000000, 0.0000935600000000, -0.0001455600000000 ] - [ 0.0000317600000000, -0.0000768300000000, -0.0001146000000000 ] - [ -0.0001225000000000, 0.0007635500000000, 0.0005175200000000 ] - [ 0.0001373100000000, 0.0000631100000000, -0.0000284600000000 ] - [ -0.0057295500000000, -0.0060755000000000, -0.0069437200000000 ] - [ -0.0047754900000000, 0.0050696700000000, -0.0082666600000000 ] - [ 0.0001060100000000, -0.0000595900000000, -0.0000364500000000 ] - [ -0.0001538700000000, 0.0001855100000000, 0.0000433200000000 ] - [ -0.0019874900000000, -0.0018782100000000, -0.0002086600000000 ] - [ -0.0014307800000000, 0.0014815100000000, -0.0001091400000000 ] - [ -0.0000617400000000, -0.0001971900000000, 0.0000580400000000 ] - [ -0.0003489000000000, 0.0000151200000000, 0.0001695100000000 ] - [ -0.0003665500000000, 0.0000202800000000, 0.0001880300000000 ] - [ -0.0000378600000000, 0.0001464700000000, 0.0014230000000000 ] - [ 0.0001141900000000, 0.0000377800000000, 0.0000113900000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000582400000000, -0.0007078000000000, -0.0000054900000000 ] - [ -0.0024042900000000, -0.0002643400000000, 0.0005438500000000 ] - [ 0.0023970300000000, -0.0002607900000000, -0.0004363900000000 ] - [ -0.0001024800000000, -0.0007833700000000, 0.0000785900000000 ] - [ 0.0000296300000000, -0.0006734500000000, -0.0000492400000000 ] - [ -0.0002574400000000, 0.0001506400000000, -0.0014632200000000 ] - [ 0.0002852700000000, -0.0001989100000000, 0.0013265300000000 ] - [ 0.0000150100000000, -0.0007523000000000, -0.0000198500000000 ] - [ -0.0001079100000000, -0.0021284700000000, 0.0000325900000000 ] - [ -0.0003372600000000, -0.0021016400000000, -0.0000538900000000 ] - [ 0.0031485500000000, -0.0007629000000000, -0.0005362800000000 ] - [ -0.0001172900000000, -0.0009207700000000, -0.0000778900000000 ] - [ -0.0001255000000000, 0.0028979400000000, -0.0000650400000000 ] - [ -0.0000766300000000, -0.0009449900000000, -0.0000141000000000 ] - [ -0.0000213400000000, -0.0011779300000000, 0.0000551800000000 ] - [ -0.0000216700000000, 0.0009244100000000, -0.0002629600000000 ] - [ -0.0000791900000000, 0.0008427900000000, 0.0002888700000000 ] - [ 0.0000223600000000, -0.0012206800000000, -0.0000566100000000 ] - [ -0.0000044300000000, -0.0010805800000000, -0.0000775500000000 ] - [ 0.0019404900000000, -0.0013504700000000, 0.0034561200000000 ] - [ -0.0018907600000000, -0.0017368200000000, -0.0034065800000000 ] - [ 0.0000012400000000, -0.0013150800000000, 0.0000724200000000 ] - [ -0.0004157100000000, 0.0195724000000000, -0.0004414600000000 ] - [ 0.0000777000000000, -0.0009894900000000, 0.0000140000000000 ] - [ 0.0003284300000000, -0.0007397200000000, -0.0000040100000000 ] - [ -0.0000297700000000, -0.0008024400000000, 0.0000477600000000 ] - [ -0.0000006800000000, -0.0001200000000000, 0.0000002200000000 ] - [ 0.0000388000000000, 0.0091737000000000, 0.0000116500000000 ] - [ -0.0000212200000000, 0.0353512400000000, 0.0006509500000000 ] - [ 0.0000347700000000, -0.0012097100000000, 0.0002058200000000 ] - [ -0.0001957500000000, -0.0005123800000000, 0.0001659300000000 ] - [ 0.0002782100000000, -0.0005156300000000, 0.0005878700000000 ] - [ -0.0001833100000000, -0.0009800900000000, -0.0001693300000000 ] - [ -0.0002657600000000, -0.0009821400000000, 0.0003441100000000 ] - [ -0.0000263100000000, 0.0020382300000000, -0.0000148500000000 ] - [ -0.0000958100000000, -0.0011029700000000, -0.0000933800000000 ] - [ 0.0002438900000000, 0.0020985100000000, 0.0000141400000000 ] - [ 0.0000950800000000, -0.0011021200000000, 0.0000948400000000 ] - [ -0.0003417200000000, -0.0009415800000000, -0.0006336300000000 ] - [ 0.0008738600000000, -0.0009070200000000, 0.0006281100000000 ] - [ 0.0000799900000000, -0.0008149000000000, 0.0005065200000000 ] - [ -0.0001464400000000, -0.0008138400000000, -0.0012895900000000 ] - [ 0.0001357100000000, 0.0033758000000000, -0.0001521700000000 ] - [ -0.0000364200000000, -0.0011382700000000, -0.0002062800000000 ] - [ 0.0001577800000000, -0.0012435800000000, 0.0001203500000000 ] - [ -0.0040012500000000, -0.0010846200000000, 0.0011116800000000 ] - [ 0.0001540100000000, -0.0510329800000000, -0.0002902800000000 ] - [ -0.0001380200000000, 0.0003875500000000, -0.0000215700000000 ] - [ 0.0004031700000000, 0.0007595400000000, 0.0003664800000000 ] - [ -0.0001701300000000, 0.0008478700000000, -0.0005525600000000 ] - [ -0.0011019200000000, 0.0012671700000000, 0.0000212200000000 ] - [ 0.0003220100000000, 0.0009949400000000, -0.0000716100000000 ] - [ -0.0002063100000000, 0.0009397800000000, -0.0001191900000000 ] - [ 0.0012882900000000, 0.0009442700000000, -0.0000330100000000 ] - [ -0.0004056600000000, 0.0007701300000000, 0.0000613300000000 ] - [ 0.0014756800000000, -0.0015366400000000, -0.0004465100000000 ] - [ -0.0015461600000000, -0.0015231600000000, 0.0002802000000000 ] - [ 0.0001678400000000, 0.0007150600000000, -0.0000172500000000 ] - [ 0.0000962900000000, 0.0007131000000000, -0.0000836200000000 ] - [ 0.0040790200000000, 0.0012849000000000, -0.0137769200000000 ] - [ -0.0040600100000000, 0.0014183100000000, 0.0137954400000000 ] - [ -0.0001622900000000, 0.0009003900000000, 0.0003063000000000 ] - [ 0.0000093200000000, 0.0002180700000000, 0.0000193500000000 ] - [ 0.0000940300000000, 0.0002264600000000, -0.0002820600000000 ] - [ -0.0000146900000000, 0.0003873000000000, -0.0003125100000000 ] - [ -0.0000917300000000, -0.0011516600000000, -0.0003646200000000 ] - [ 0.0001041600000000, 0.0006155000000000, -0.0000980000000000 ] - [ 0.0005278700000000, 0.0011835300000000, -0.0009233000000000 ] - [ -0.0004769300000000, 0.0013820300000000, 0.0009216900000000 ] - [ -0.0000735900000000, 0.0008821800000000, 0.0001196500000000 ] - [ 0.0000899700000000, 0.0005143600000000, 0.0001792300000000 ] - [ 0.0001808800000000, -0.0001610000000000, -0.0001232600000000 ] - [ -0.0002107900000000, -0.0000341300000000, 0.0000661100000000 ] - [ -0.0001336400000000, 0.0006529600000000, -0.0002325100000000 ] - [ 0.0001299300000000, 0.0007504300000000, 0.0001637600000000 ] - [ 0.0004202700000000, -0.0012074600000000, -0.0007618600000000 ] - [ -0.0004024100000000, -0.0013623400000000, 0.0007572800000000 ] - [ -0.0001375000000000, 0.0007191600000000, -0.0002327500000000 ] - [ 0.0000135000000000, 0.0002446000000000, -0.0000167400000000 ] - [ -0.0006415400000000, 0.0002344100000000, -0.0001228700000000 ] - [ 0.0000253400000000, 0.0003878800000000, -0.0000989400000000 ] - [ -0.0000679200000000, -0.0014009200000000, -0.0001358100000000 ] - [ -0.0000250800000000, 0.0003981200000000, 0.0000990600000000 ] - [ -0.0002642100000000, -0.0064013400000000, -0.0001959300000000 ] - [ 0.0002380700000000, 0.0002941000000000, -0.0000281700000000 ] - [ 0.0003790700000000, 0.0002878000000000, 0.0001513400000000 ] - [ -0.0001354900000000, 0.0007651600000000, -0.0001817100000000 ] - [ 0.0002547900000000, -0.0013068000000000, 0.0006941000000000 ] - [ -0.0002271800000000, -0.0013893800000000, -0.0007321700000000 ] - [ 0.0001411300000000, 0.0007328300000000, 0.0002501300000000 ] - [ -0.0001316600000000, 0.0006492600000000, -0.0003442300000000 ] - [ -0.0001373500000000, -0.0000186800000000, 0.0005047100000000 ] - [ 0.0001839700000000, 0.0001619800000000, -0.0004099100000000 ] - [ 0.0001708000000000, 0.0007870900000000, 0.0004035900000000 ] - [ -0.0000411200000000, 0.0005695900000000, 0.0002881400000000 ] - [ -0.0004483900000000, 0.0000928300000000, -0.0004129500000000 ] - [ 0.0004341200000000, 0.0004603200000000, 0.0003568700000000 ] - [ -0.0000035800000000, 0.0008357800000000, -0.0003336100000000 ] - [ 0.0000156100000000, 0.0003966900000000, 0.0003121000000000 ] - [ -0.0001006600000000, -0.0037921000000000, 0.0010330500000000 ] - [ -0.0000793900000000, 0.0006526800000000, -0.0004401700000000 ] - [ -0.0000182100000000, 0.0006735400000000, 0.0006978600000000 ] - [ -0.0001133900000000, -0.0014879700000000, 0.0010053100000000 ] - [ 0.0001569500000000, 0.0008598700000000, -0.0003256200000000 ] - [ -0.0000921000000000, 0.0006707700000000, 0.0001024400000000 ] - [ 0.0000834400000000, -0.0017225600000000, -0.0012439800000000 ] - [ 0.0003328400000000, 0.0007684800000000, -0.0000943200000000 ] - [ 0.0061830300000000, 0.0005958900000000, 0.0049108100000000 ] - [ -0.0052526200000000, -0.0003487900000000, -0.0052666100000000 ] - [ -0.0001102500000000, 0.0007174300000000, 0.0000388900000000 ] - [ 0.0000128400000000, 0.0006426200000000, 0.0000552700000000 ] - [ 0.0008977200000000, 0.0009403900000000, 0.0001798300000000 ] - [ -0.0007587600000000, 0.0007811100000000, -0.0000392100000000 ] - [ -0.0001205800000000, 0.0007376400000000, 0.0000899800000000 ] - [ -0.0000946800000000, 0.0003624700000000, 0.0001506600000000 ] - [ -0.0001754000000000, 0.0003260600000000, -0.0000468400000000 ] - [ 0.0002310200000000, -0.0020264300000000, -0.0000177900000000 ] - [ 0.0001386100000000, 0.0003581300000000, 0.0000205100000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000804200000000, 0.0007717400000000, 0.0001231100000000 ] - [ 0.0023833600000000, 0.0003343500000000, -0.0004220200000000 ] - [ -0.0024198800000000, 0.0001853600000000, 0.0004684000000000 ] - [ 0.0000774600000000, 0.0007152400000000, -0.0000516300000000 ] - [ 0.0000004500000000, 0.0007307400000000, -0.0000796200000000 ] - [ 0.0002905600000000, -0.0000838700000000, 0.0013300300000000 ] - [ -0.0002671400000000, 0.0001260000000000, -0.0013387700000000 ] - [ 0.0000005900000000, 0.0006866800000000, 0.0000070200000000 ] - [ -0.0002664200000000, 0.0021806400000000, -0.0000969900000000 ] - [ -0.0000369900000000, 0.0021368400000000, -0.0000100600000000 ] - [ -0.0031591900000000, 0.0010631100000000, 0.0005254800000000 ] - [ 0.0001161600000000, 0.0012283800000000, 0.0000775500000000 ] - [ -0.0000550400000000, -0.0028891100000000, 0.0000547400000000 ] - [ -0.0001080200000000, 0.0009527800000000, 0.0000028300000000 ] - [ 0.0000217400000000, 0.0009339800000000, -0.0000551300000000 ] - [ 0.0000194600000000, -0.0011559900000000, 0.0002643200000000 ] - [ 0.0000772700000000, -0.0011928600000000, -0.0002885600000000 ] - [ -0.0000223900000000, 0.0008839200000000, 0.0000560600000000 ] - [ 0.0000035100000000, 0.0013035400000000, 0.0000774700000000 ] - [ -0.0019446000000000, 0.0015915600000000, -0.0034656300000000 ] - [ 0.0018858300000000, 0.0014633100000000, 0.0033972000000000 ] - [ -0.0000024800000000, 0.0010595600000000, -0.0000719800000000 ] - [ 0.0003191700000000, -0.0195620000000000, 0.0001042000000000 ] - [ 0.0001074900000000, 0.0009964700000000, -0.0000017800000000 ] - [ 0.0000418900000000, 0.0007803200000000, 0.0000690100000000 ] - [ 0.0004000500000000, 0.0008484100000000, 0.0000173000000000 ] - [ 0.0000001100000000, 0.0000695500000000, 0.0000004000000000 ] - [ 0.0001125700000000, -0.0092246700000000, -0.0000461500000000 ] - [ -0.0001218200000000, -0.0353536200000000, 0.0008260300000000 ] - [ 0.0000219300000000, 0.0012096400000000, 0.0002181800000000 ] - [ 0.0002518800000000, 0.0005093900000000, 0.0005748900000000 ] - [ -0.0002217400000000, 0.0005190900000000, 0.0001529500000000 ] - [ -0.0002676300000000, 0.0012388800000000, 0.0002984100000000 ] - [ -0.0001852300000000, 0.0012506500000000, -0.0002155700000000 ] - [ -0.0002252500000000, -0.0020093600000000, -0.0001598300000000 ] - [ -0.0000967800000000, 0.0011329900000000, -0.0000917000000000 ] - [ -0.0000625300000000, -0.0020703200000000, 0.0001779000000000 ] - [ 0.0000986600000000, 0.0011316300000000, 0.0000900700000000 ] - [ 0.0007958800000000, 0.0012022200000000, 0.0005092400000000 ] - [ -0.0004194400000000, 0.0011742200000000, -0.0007523300000000 ] - [ -0.0001360100000000, 0.0008126700000000, -0.0012541400000000 ] - [ 0.0000903400000000, 0.0008171800000000, 0.0005416600000000 ] - [ -0.0001950900000000, -0.0033763300000000, -0.0002852800000000 ] - [ -0.0000206700000000, 0.0011387300000000, -0.0002189600000000 ] - [ -0.0001587800000000, 0.0013341500000000, -0.0001212500000000 ] - [ 0.0039920100000000, 0.0011846900000000, -0.0011227600000000 ] - [ -0.0002261700000000, 0.0510874000000000, -0.0003290300000000 ] - [ -0.0001314400000000, -0.0003154000000000, -0.0000276100000000 ] - [ -0.0001319600000000, -0.0007751700000000, -0.0004676100000000 ] - [ 0.0004417000000000, -0.0008586700000000, 0.0004542100000000 ] - [ 0.0011354700000000, -0.0011807200000000, -0.0001825300000000 ] - [ -0.0002958200000000, -0.0009059100000000, -0.0000871500000000 ] - [ 0.0004564600000000, -0.0010009400000000, 0.0000720600000000 ] - [ -0.0010344400000000, -0.0010003500000000, -0.0000179400000000 ] - [ 0.0002023400000000, -0.0007531100000000, -0.0000756800000000 ] - [ -0.0016759000000000, 0.0015503000000000, 0.0004283200000000 ] - [ 0.0014037700000000, 0.0014850000000000, -0.0002856800000000 ] - [ -0.0003112800000000, -0.0007554000000000, 0.0000141000000000 ] - [ -0.0001806400000000, -0.0008864500000000, 0.0002841800000000 ] - [ -0.0041076900000000, -0.0014603400000000, 0.0138996500000000 ] - [ 0.0040688400000000, -0.0012226300000000, -0.0136245300000000 ] - [ 0.0001154300000000, -0.0007074800000000, -0.0000579200000000 ] - [ 0.0001001400000000, -0.0003148100000000, -0.0002464800000000 ] - [ 0.0000171600000000, -0.0003243800000000, 0.0000561400000000 ] - [ -0.0000059300000000, -0.0003570600000000, -0.0003077800000000 ] - [ 0.0000775900000000, 0.0011809800000000, -0.0002601800000000 ] - [ -0.0000598600000000, -0.0009877100000000, 0.0001597800000000 ] - [ -0.0004848300000000, -0.0015634300000000, 0.0009888700000000 ] - [ 0.0005188600000000, -0.0012438900000000, -0.0009244500000000 ] - [ 0.0001169100000000, -0.0007529900000000, -0.0001264700000000 ] - [ -0.0001123300000000, -0.0005873800000000, -0.0001392100000000 ] - [ -0.0002024000000000, 0.0000843200000000, 0.0001618100000000 ] - [ 0.0001498600000000, 0.0002365000000000, -0.0002048000000000 ] - [ 0.0000738900000000, -0.0004562600000000, 0.0000959900000000 ] - [ -0.0000494400000000, -0.0007291400000000, -0.0002160800000000 ] - [ -0.0003381100000000, 0.0012242300000000, 0.0007041700000000 ] - [ 0.0003170400000000, 0.0013028700000000, -0.0008477200000000 ] - [ 0.0000509100000000, -0.0007832400000000, 0.0001463400000000 ] - [ -0.0006236000000000, -0.0002698600000000, -0.0001000000000000 ] - [ 0.0000318100000000, -0.0002606300000000, 0.0000073300000000 ] - [ 0.0000201300000000, -0.0004200500000000, -0.0001072500000000 ] - [ 0.0001189800000000, 0.0013684000000000, -0.0000703300000000 ] - [ -0.0000214700000000, -0.0004299600000000, 0.0001071500000000 ] - [ 0.0002598500000000, 0.0063681100000000, 0.0004495400000000 ] - [ 0.0003692000000000, -0.0003184500000000, 0.0001457900000000 ] - [ 0.0002271900000000, -0.0003131200000000, -0.0000350700000000 ] - [ 0.0000547500000000, -0.0007436300000000, 0.0002340500000000 ] - [ -0.0003268800000000, 0.0013176700000000, -0.0006356500000000 ] - [ 0.0003240100000000, 0.0013345600000000, 0.0008212600000000 ] - [ -0.0000539100000000, -0.0007960800000000, -0.0001642900000000 ] - [ 0.0001547000000000, -0.0007222300000000, 0.0003040700000000 ] - [ 0.0001597200000000, -0.0000577000000000, -0.0005437300000000 ] - [ -0.0001230500000000, 0.0000414600000000, 0.0005510400000000 ] - [ -0.0001122500000000, -0.0005892200000000, -0.0002650000000000 ] - [ -0.0000043700000000, -0.0009428400000000, -0.0003510700000000 ] - [ 0.0004047800000000, -0.0004706800000000, 0.0003498200000000 ] - [ -0.0004760200000000, -0.0003229000000000, -0.0003549500000000 ] - [ -0.0000400400000000, -0.0007043100000000, 0.0003374800000000 ] - [ 0.0000051000000000, -0.0003671700000000, 0.0003086600000000 ] - [ 0.0001376700000000, 0.0038205400000000, -0.0004442100000000 ] - [ -0.0000297300000000, -0.0007528500000000, 0.0006725900000000 ] - [ -0.0000933600000000, -0.0007674400000000, -0.0004683900000000 ] - [ 0.0001582400000000, 0.0016803100000000, -0.0012513100000000 ] - [ -0.0001101300000000, -0.0006673400000000, 0.0000757600000000 ] - [ 0.0001739600000000, -0.0008429700000000, -0.0003020400000000 ] - [ -0.0000004900000000, 0.0015477300000000, 0.0010479900000000 ] - [ -0.0001298800000000, -0.0007513300000000, 0.0001083500000000 ] - [ -0.0059510300000000, -0.0005863400000000, -0.0048656800000000 ] - [ 0.0054208500000000, 0.0003209500000000, 0.0052949100000000 ] - [ 0.0002548100000000, -0.0007578200000000, -0.0000346800000000 ] - [ -0.0002598400000000, -0.0007013500000000, -0.0000068800000000 ] - [ -0.0011462500000000, -0.0010025800000000, -0.0001301100000000 ] - [ 0.0007321600000000, -0.0006885100000000, 0.0001992800000000 ] - [ 0.0000956200000000, -0.0006501700000000, 0.0000684700000000 ] - [ -0.0001778900000000, -0.0003749500000000, -0.0000539000000000 ] - [ -0.0000970800000000, -0.0003413400000000, 0.0001428000000000 ] - [ 0.0000092300000000, 0.0020940300000000, 0.0000788100000000 ] - [ 0.0001315200000000, -0.0002891700000000, 0.0000282800000000 ]- atom: 47 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0001344600000000, -0.0000556700000000, 0.0001156400000000 ] - [ 0.0056951300000000, 0.0021832800000000, 0.0000345800000000 ] - [ 0.0055611300000000, -0.0021511500000000, -0.0001051000000000 ] - [ 0.0001364900000000, 0.0000300700000000, 0.0000754800000000 ] - [ -0.0001381100000000, 0.0000347000000000, -0.0001772500000000 ] - [ -0.0015960600000000, -0.0004366800000000, -0.0018238500000000 ] - [ -0.0015946700000000, 0.0006194000000000, -0.0019608700000000 ] - [ -0.0001460700000000, -0.0000525900000000, -0.0001273700000000 ] - [ -0.0006449100000000, -0.0004392600000000, 0.0011107600000000 ] - [ -0.0004964800000000, 0.0003799100000000, 0.0011402700000000 ] - [ -0.0006568200000000, 0.0015890100000000, 0.0036482600000000 ] - [ 0.0000374600000000, 0.0001348800000000, 0.0001196300000000 ] - [ 0.0032786900000000, 0.0002672800000000, 0.0009091800000000 ] - [ -0.0000898700000000, -0.0000023900000000, -0.0000205200000000 ] - [ 0.0000152600000000, -0.0000342800000000, -0.0001067400000000 ] - [ -0.0014081600000000, -0.0019199400000000, -0.0015060100000000 ] - [ -0.0013685700000000, 0.0014650100000000, -0.0014248900000000 ] - [ 0.0000146200000000, -0.0002987000000000, -0.0001034100000000 ] - [ -0.0000186100000000, -0.0001540800000000, -0.0000640100000000 ] - [ -0.0031066400000000, 0.0061608400000000, -0.0082269100000000 ] - [ -0.0031340700000000, -0.0062703900000000, -0.0082050000000000 ] - [ -0.0000219200000000, 0.0001179600000000, -0.0000611000000000 ] - [ 0.0091058300000000, -0.0003965200000000, 0.0523740700000000 ] - [ 0.0001038000000000, -0.0000021300000000, 0.0000503900000000 ] - [ 0.0001267300000000, 0.0004183400000000, -0.0002185300000000 ] - [ 0.0000871000000000, -0.0004272500000000, -0.0002842600000000 ] - [ -0.0000007300000000, -0.0000252400000000, 0.0000066200000000 ] - [ -0.0069849100000000, -0.0004879000000000, 0.0073262300000000 ] - [ -0.0453502100000000, -0.0000761800000000, 0.1826181600000000 ] - [ -0.0000470800000000, 0.0000004200000000, 0.0002863300000000 ] - [ -0.0001489000000000, 0.0003372500000000, 0.0005658500000000 ] - [ -0.0001955000000000, -0.0004302700000000, 0.0005810500000000 ] - [ 0.0006230400000000, -0.0011762100000000, -0.0014767600000000 ] - [ 0.0006441600000000, 0.0013908600000000, -0.0016648300000000 ] - [ -0.0154163400000000, 0.0000907500000000, 0.0012743500000000 ] - [ -0.0001658500000000, 0.0000109600000000, -0.0001121900000000 ] - [ 0.0121696100000000, 0.0007749200000000, -0.0146820600000000 ] - [ 0.0001645700000000, 0.0000107000000000, 0.0000788200000000 ] - [ -0.0006446300000000, -0.0011377800000000, 0.0006153300000000 ] - [ -0.0007131400000000, 0.0013062200000000, 0.0005770000000000 ] - [ 0.0003136300000000, 0.0012131800000000, -0.0005888400000000 ] - [ 0.0003079600000000, -0.0012816400000000, -0.0006088700000000 ] - [ 0.0044567600000000, 0.0000744800000000, -0.0056420200000000 ] - [ 0.0000208900000000, -0.0000000900000000, -0.0002753600000000 ] - [ 0.0000682100000000, -0.0000013000000000, 0.0001671900000000 ] - [ -0.0009719500000000, -0.0020279700000000, 0.0044652700000000 ] - [ 0.0290977400000000, -0.0000572300000000, -0.3157602800000000 ] - [ -0.0001247200000000, 0.0000405100000000, -0.0000766000000000 ] - [ 0.0003301600000000, 0.0004122600000000, -0.0004648200000000 ] - [ 0.0003804900000000, -0.0005167700000000, -0.0005361200000000 ] - [ -0.0004656900000000, 0.0008693500000000, -0.0018981000000000 ] - [ -0.0000338500000000, -0.0000877600000000, -0.0002630200000000 ] - [ 0.0000821500000000, 0.0001661100000000, -0.0002061400000000 ] - [ -0.0004304300000000, -0.0003972600000000, -0.0020555400000000 ] - [ -0.0001376000000000, 0.0000183200000000, -0.0000363600000000 ] - [ -0.0013449800000000, 0.0001498700000000, -0.0015292700000000 ] - [ -0.0020290800000000, -0.0001854100000000, -0.0015093300000000 ] - [ -0.0001019800000000, -0.0000146300000000, -0.0000176100000000 ] - [ -0.0000311300000000, 0.0000056000000000, 0.0000423300000000 ] - [ -0.0044925700000000, -0.0135689600000000, 0.0212794400000000 ] - [ -0.0043634800000000, 0.0134951300000000, 0.0212109000000000 ] - [ -0.0000197600000000, 0.0000225000000000, 0.0000693600000000 ] - [ -0.0000281700000000, -0.0002588800000000, -0.0001987300000000 ] - [ -0.0000061400000000, 0.0002009700000000, -0.0001892700000000 ] - [ -0.0000029800000000, 0.0000167000000000, -0.0003124400000000 ] - [ -0.0006906500000000, -0.0000619800000000, -0.0050338700000000 ] - [ -0.0000367700000000, 0.0002653900000000, 0.0001397700000000 ] - [ -0.0017382500000000, -0.0035594400000000, 0.0023804300000000 ] - [ -0.0016571200000000, 0.0032417200000000, 0.0022473800000000 ] - [ -0.0000380500000000, -0.0003908400000000, 0.0001302600000000 ] - [ -0.0000459600000000, -0.0001310600000000, 0.0000035200000000 ] - [ -0.0001653900000000, 0.0005518700000000, 0.0003560300000000 ] - [ -0.0001762300000000, -0.0004106000000000, 0.0003016500000000 ] - [ -0.0000627200000000, 0.0002336300000000, -0.0001010600000000 ] - [ -0.0000213600000000, 0.0000094600000000, -0.0000051600000000 ] - [ -0.0023560100000000, 0.0026937900000000, 0.0049130200000000 ] - [ -0.0021746900000000, -0.0028748100000000, 0.0045732800000000 ] - [ -0.0001072800000000, -0.0000074000000000, -0.0000293400000000 ] - [ 0.0002962000000000, 0.0000118100000000, -0.0003101300000000 ] - [ 0.0003326400000000, -0.0000111800000000, -0.0003113000000000 ] - [ -0.0000307100000000, -0.0000116500000000, -0.0000873400000000 ] - [ -0.0054552700000000, -0.0000286700000000, 0.0032300000000000 ] - [ 0.0000467200000000, -0.0000113300000000, 0.0000989000000000 ] - [ 0.0190760800000000, -0.0001279300000000, 0.0139589000000000 ] - [ -0.0005677200000000, -0.0001113800000000, 0.0005730200000000 ] - [ -0.0006014300000000, 0.0001186400000000, 0.0006120600000000 ] - [ 0.0000188700000000, -0.0000080300000000, 0.0000502000000000 ] - [ 0.0034549600000000, -0.0009922300000000, 0.0014043600000000 ] - [ 0.0033438900000000, 0.0009818200000000, 0.0012732700000000 ] - [ 0.0001040200000000, 0.0000058800000000, 0.0000721900000000 ] - [ 0.0000462300000000, -0.0003372800000000, 0.0001043600000000 ] - [ 0.0003747400000000, 0.0007595600000000, 0.0004052300000000 ] - [ 0.0003120500000000, -0.0006635700000000, 0.0005073100000000 ] - [ 0.0000682500000000, 0.0004319300000000, 0.0002104400000000 ] - [ 0.0000454600000000, 0.0001946500000000, 0.0000457200000000 ] - [ 0.0013108000000000, -0.0016775500000000, 0.0006062200000000 ] - [ 0.0013717500000000, 0.0016593000000000, 0.0006265600000000 ] - [ 0.0000576800000000, -0.0002926700000000, 0.0000731900000000 ] - [ -0.0000065200000000, 0.0000147000000000, 0.0003196900000000 ] - [ -0.0030148500000000, 0.0003268600000000, 0.0339872200000000 ] - [ 0.0001888900000000, -0.0005004300000000, -0.0002399200000000 ] - [ 0.0001677500000000, 0.0004515000000000, -0.0002202500000000 ] - [ 0.0001477100000000, -0.0008297000000000, 0.0035442500000000 ] - [ 0.0000357700000000, 0.0000411900000000, -0.0000488300000000 ] - [ 0.0000439000000000, -0.0000135700000000, -0.0000222100000000 ] - [ 0.0000769800000000, 0.0007728500000000, 0.0034326800000000 ] - [ 0.0001066700000000, -0.0000055200000000, -0.0000296600000000 ] - [ 0.0065089600000000, 0.0036895300000000, -0.0014781800000000 ] - [ 0.0068730100000000, -0.0034321600000000, -0.0005405100000000 ] - [ 0.0000797900000000, 0.0000168100000000, -0.0000287000000000 ] - [ -0.0001252100000000, -0.0001413100000000, 0.0000335000000000 ] - [ 0.0006847700000000, 0.0010828000000000, -0.0000582300000000 ] - [ 0.0006874700000000, -0.0009285600000000, 0.0000728400000000 ] - [ 0.0000048300000000, 0.0001783500000000, 0.0001229000000000 ] - [ -0.0000051800000000, 0.0001040700000000, 0.0007581300000000 ] - [ -0.0000243100000000, -0.0000870000000000, 0.0008468200000000 ] - [ -0.0011732800000000, 0.0001339900000000, 0.0002557400000000 ] - [ 0.0001248800000000, 0.0000404900000000, 0.0000515700000000 ]- atom: 47 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0001603300000000, 0.0000936900000000, -0.0000039100000000 ] - [ -0.0057647600000000, -0.0021741000000000, 0.0000606600000000 ] - [ -0.0056342900000000, 0.0021423600000000, 0.0001158800000000 ] - [ -0.0001653900000000, -0.0000672300000000, -0.0000492700000000 ] - [ 0.0001727800000000, 0.0000005100000000, 0.0000496500000000 ] - [ 0.0016475900000000, 0.0004831900000000, 0.0017304200000000 ] - [ 0.0016338300000000, -0.0006712800000000, 0.0019813300000000 ] - [ 0.0001660100000000, 0.0000184700000000, 0.0001139400000000 ] - [ 0.0002843400000000, 0.0004591700000000, -0.0012126600000000 ] - [ 0.0001337300000000, -0.0003493000000000, -0.0012429900000000 ] - [ 0.0006933900000000, -0.0012578300000000, -0.0036963600000000 ] - [ -0.0000378600000000, 0.0002391000000000, -0.0001203400000000 ] - [ -0.0034574800000000, -0.0002416300000000, -0.0009348300000000 ] - [ -0.0000643700000000, 0.0000295500000000, -0.0000046100000000 ] - [ -0.0000159200000000, -0.0002968500000000, 0.0001071500000000 ] - [ 0.0013951600000000, 0.0015837100000000, 0.0015057300000000 ] - [ 0.0013549300000000, -0.0017122600000000, 0.0014271000000000 ] - [ -0.0000151300000000, 0.0000473800000000, 0.0001039900000000 ] - [ 0.0000199500000000, 0.0002980200000000, 0.0000641400000000 ] - [ 0.0031401900000000, -0.0060600800000000, 0.0082886800000000 ] - [ 0.0031675400000000, 0.0061324000000000, 0.0082674800000000 ] - [ 0.0000238300000000, -0.0002994500000000, 0.0000609700000000 ] - [ -0.0079058600000000, 0.0004294800000000, -0.0512643500000000 ] - [ 0.0000517700000000, 0.0000289600000000, -0.0000255900000000 ] - [ 0.0002415600000000, -0.0004016200000000, 0.0003136500000000 ] - [ 0.0002823800000000, 0.0004604100000000, 0.0003804500000000 ] - [ -0.0000001100000000, -0.0000273400000000, -0.0000056300000000 ] - [ 0.0059875500000000, 0.0004475900000000, -0.0069595100000000 ] - [ 0.0467860000000000, 0.0001091900000000, -0.1951209900000000 ] - [ 0.0000830200000000, 0.0000319900000000, 0.0001124700000000 ] - [ 0.0001756900000000, -0.0003686300000000, 0.0000997000000000 ] - [ 0.0002221200000000, 0.0003993400000000, 0.0000839400000000 ] - [ -0.0010964000000000, 0.0014313200000000, 0.0016893200000000 ] - [ -0.0011173000000000, -0.0011691200000000, 0.0018786900000000 ] - [ 0.0152995500000000, -0.0000326700000000, -0.0014891200000000 ] - [ -0.0000113900000000, 0.0000469600000000, -0.0000755100000000 ] - [ -0.0120105300000000, -0.0007171700000000, 0.0149107600000000 ] - [ 0.0000126200000000, 0.0000476000000000, 0.0001092900000000 ] - [ 0.0011183000000000, 0.0013867400000000, -0.0008228700000000 ] - [ 0.0011872400000000, -0.0010784200000000, -0.0007841000000000 ] - [ -0.0003475100000000, -0.0012520500000000, -0.0000762800000000 ] - [ -0.0003415400000000, 0.0012567100000000, -0.0000549600000000 ] - [ -0.0044868100000000, -0.0000417800000000, 0.0052868900000000 ] - [ -0.0000554300000000, 0.0000321400000000, -0.0001248900000000 ] - [ -0.0000689600000000, -0.0000021900000000, -0.0001687800000000 ] - [ 0.0010239000000000, 0.0020778600000000, -0.0045315800000000 ] - [ -0.0306844300000000, 0.0001003800000000, 0.3278065200000000 ] - [ -0.0001424100000000, 0.0000300600000000, 0.0000536800000000 ] - [ -0.0000524800000000, -0.0004149400000000, 0.0004183600000000 ] - [ -0.0001031800000000, 0.0005189000000000, 0.0004903100000000 ] - [ 0.0004831000000000, -0.0008025100000000, 0.0017768900000000 ] - [ 0.0000513500000000, 0.0001502500000000, 0.0001202000000000 ] - [ 0.0001571700000000, -0.0001894400000000, 0.0001508300000000 ] - [ 0.0006701300000000, 0.0003664500000000, 0.0020248700000000 ] - [ -0.0000656500000000, -0.0000002600000000, 0.0000088600000000 ] - [ 0.0011422300000000, -0.0001316500000000, 0.0015246200000000 ] - [ 0.0018861000000000, 0.0001229200000000, 0.0015342000000000 ] - [ -0.0000488300000000, -0.0000505000000000, 0.0000215400000000 ] - [ -0.0000381100000000, -0.0001647700000000, 0.0001544800000000 ] - [ 0.0045092500000000, 0.0136826600000000, -0.0214486700000000 ] - [ 0.0044144200000000, -0.0135947400000000, -0.0213367400000000 ] - [ -0.0000138200000000, 0.0001471000000000, 0.0001740200000000 ] - [ 0.0001624100000000, 0.0001766000000000, 0.0000083400000000 ] - [ 0.0001395200000000, -0.0002880900000000, -0.0000009600000000 ] - [ -0.0000371800000000, 0.0000062700000000, -0.0003131100000000 ] - [ 0.0006626100000000, 0.0000850100000000, 0.0044555600000000 ] - [ 0.0000863100000000, -0.0006220400000000, -0.0000792000000000 ] - [ 0.0018023200000000, 0.0032469200000000, -0.0023402800000000 ] - [ 0.0017159500000000, -0.0031623400000000, -0.0022732400000000 ] - [ 0.0000824100000000, 0.0005120700000000, -0.0001365200000000 ] - [ 0.0000188000000000, 0.0000842400000000, 0.0000598100000000 ] - [ 0.0001425100000000, -0.0005964400000000, -0.0002902900000000 ] - [ 0.0001190900000000, 0.0005890600000000, -0.0004209700000000 ] - [ 0.0000019300000000, -0.0000538000000000, -0.0000194800000000 ] - [ 0.0001029700000000, 0.0000318400000000, -0.0000330000000000 ] - [ 0.0024477400000000, -0.0026422700000000, -0.0049451200000000 ] - [ 0.0021084200000000, 0.0027725300000000, -0.0046424600000000 ] - [ 0.0000312200000000, -0.0000847300000000, -0.0000434300000000 ] - [ -0.0009041100000000, -0.0000331900000000, 0.0002198100000000 ] - [ -0.0009406900000000, -0.0000091600000000, 0.0002212200000000 ] - [ 0.0000702000000000, -0.0000253600000000, -0.0001098500000000 ] - [ 0.0054966600000000, -0.0000082600000000, -0.0034522400000000 ] - [ -0.0000863800000000, -0.0000252500000000, 0.0000974800000000 ] - [ -0.0193219700000000, 0.0000941200000000, -0.0138766000000000 ] - [ 0.0011818400000000, 0.0000892900000000, -0.0004858800000000 ] - [ 0.0012152800000000, -0.0001367800000000, -0.0005255300000000 ] - [ -0.0001009000000000, 0.0000495300000000, -0.0000127400000000 ] - [ -0.0035456300000000, 0.0010371900000000, -0.0013722300000000 ] - [ -0.0032749700000000, -0.0010783300000000, -0.0012093900000000 ] - [ -0.0000265500000000, -0.0000980200000000, -0.0000009400000000 ] - [ -0.0000171300000000, 0.0002929400000000, -0.0001704000000000 ] - [ -0.0003404200000000, -0.0008100600000000, -0.0004779200000000 ] - [ -0.0002455100000000, 0.0008502400000000, -0.0003927900000000 ] - [ -0.0000071400000000, -0.0002533500000000, -0.0000898800000000 ] - [ -0.0000961300000000, -0.0005483900000000, -0.0001063700000000 ] - [ -0.0013752800000000, 0.0013407800000000, -0.0006731300000000 ] - [ -0.0014315300000000, -0.0015582200000000, -0.0006293800000000 ] - [ -0.0001023600000000, 0.0004113400000000, -0.0000693200000000 ] - [ 0.0000470300000000, 0.0000079000000000, 0.0003046500000000 ] - [ 0.0030662100000000, -0.0002884600000000, -0.0329914000000000 ] - [ -0.0003238900000000, 0.0004206100000000, 0.0004323900000000 ] - [ -0.0003020200000000, -0.0005414500000000, 0.0004119300000000 ] - [ -0.0001321100000000, 0.0010059100000000, -0.0038219200000000 ] - [ -0.0000016300000000, 0.0001277300000000, -0.0001963900000000 ] - [ 0.0000238900000000, -0.0001447800000000, -0.0001743700000000 ] - [ -0.0000260100000000, -0.0009378500000000, -0.0036597600000000 ] - [ 0.0000959700000000, 0.0000237600000000, 0.0000557500000000 ] - [ -0.0063919900000000, -0.0037506500000000, 0.0014293600000000 ] - [ -0.0067919500000000, 0.0034310600000000, 0.0004461300000000 ] - [ 0.0000724900000000, -0.0000821800000000, 0.0000242700000000 ] - [ -0.0001140800000000, 0.0001199300000000, 0.0000227500000000 ] - [ -0.0009458200000000, -0.0011320000000000, 0.0001145500000000 ] - [ -0.0007211100000000, 0.0010124800000000, 0.0000717700000000 ] - [ -0.0000224400000000, -0.0001174400000000, 0.0000197600000000 ] - [ -0.0002767600000000, -0.0001064600000000, -0.0007148800000000 ] - [ -0.0002579500000000, 0.0000880500000000, -0.0008042100000000 ] - [ 0.0014126500000000, -0.0000639100000000, -0.0002579900000000 ] - [ 0.0001427800000000, 0.0000291600000000, -0.0000290900000000 ]- atom: 49 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0040025900000000, 0.0025056000000000, 0.0029569300000000 ] - [ -0.0000499400000000, -0.0000411700000000, 0.0001699900000000 ] - [ -0.0036464900000000, -0.0025418300000000, 0.0033476600000000 ] - [ -0.0000569100000000, 0.0000680700000000, 0.0001311900000000 ] - [ -0.0016160800000000, -0.0017761500000000, -0.0037828800000000 ] - [ -0.0000104100000000, 0.0000852900000000, -0.0002481400000000 ] - [ -0.0015312500000000, 0.0016361400000000, -0.0034781400000000 ] - [ -0.0000250400000000, -0.0000699900000000, -0.0002101100000000 ] - [ 0.1031561300000000, 0.0081915500000000, 0.0817628400000000 ] - [ -0.0001000500000000, 0.0000251300000000, -0.0000395300000000 ] - [ -0.0038093900000000, -0.0037305500000000, -0.0052399900000000 ] - [ -0.0000268800000000, 0.0003689500000000, -0.0000449000000000 ] - [ -0.0011869700000000, -0.0005646500000000, 0.0000076300000000 ] - [ -0.0013733700000000, 0.0007486600000000, 0.0001276800000000 ] - [ -0.0022230000000000, -0.0023966200000000, -0.0022424600000000 ] - [ -0.0001686000000000, -0.0000008800000000, -0.0000374500000000 ] - [ -0.0020171000000000, 0.0020178300000000, -0.0021806200000000 ] - [ -0.0001858300000000, -0.0002821600000000, -0.0000475300000000 ] - [ 0.0083826800000000, -0.0006817500000000, 0.0032208400000000 ] - [ 0.0001342300000000, 0.0001369400000000, 0.0001531500000000 ] - [ 0.0077541000000000, 0.0010394200000000, 0.0023727200000000 ] - [ 0.0001491700000000, -0.0001136900000000, 0.0001821600000000 ] - [ 0.0006435500000000, -0.0007969300000000, -0.0002303000000000 ] - [ 0.0007634800000000, 0.0009913000000000, -0.0002824300000000 ] - [ -0.0021127900000000, -0.0001543700000000, 0.0010327000000000 ] - [ 0.0001161500000000, 0.0000187400000000, 0.0000290800000000 ] - [ 0.0001968500000000, -0.0001265700000000, 0.0001084400000000 ] - [ 0.0001669600000000, 0.0000491100000000, 0.0000811300000000 ] - [ 0.0012879100000000, -0.0007205800000000, 0.0004697300000000 ] - [ 0.0015391100000000, 0.0009652600000000, 0.0004184000000000 ] - [ -0.0201788000000000, 0.0001941500000000, 0.0082982800000000 ] - [ -0.0000293100000000, 0.0000046400000000, 0.0003892200000000 ] - [ -0.0000030900000000, -0.0004592400000000, 0.0043664500000000 ] - [ -0.0002272500000000, 0.0001405200000000, 0.0001044400000000 ] - [ -0.0000346800000000, 0.0015960700000000, 0.0004704500000000 ] - [ -0.0000118000000000, -0.0015739900000000, 0.0004574600000000 ] - [ 0.0000718400000000, 0.0000738400000000, -0.0000291200000000 ] - [ 0.0000235800000000, 0.0000289100000000, -0.0000480300000000 ] - [ 0.1462143900000000, -0.0089818400000000, 0.1351551400000000 ] - [ 0.0002682000000000, 0.0001373600000000, -0.0000336400000000 ] - [ -0.0012472600000000, 0.0000056100000000, -0.0071496600000000 ] - [ -0.0000226000000000, 0.0000070800000000, -0.0004077800000000 ] - [ 0.0004021500000000, 0.0005985800000000, -0.0004362400000000 ] - [ 0.0004750600000000, -0.0005726800000000, -0.0004166000000000 ] - [ -0.0050552600000000, 0.0050596000000000, -0.0067281600000000 ] - [ -0.0000164900000000, -0.0001827900000000, -0.0000625400000000 ] - [ -0.0006309100000000, 0.0003027200000000, -0.0000704100000000 ] - [ -0.0007033000000000, -0.0002710300000000, -0.0000527100000000 ] - [ -0.2987786000000000, 0.0005847300000000, -0.2766849300000000 ] - [ 0.0000849700000000, -0.0000103800000000, -0.0000878300000000 ] - [ 0.0143999300000000, 0.0117758800000000, 0.0082547800000000 ] - [ -0.0000180700000000, -0.0000355600000000, -0.0000926900000000 ] - [ 0.0137393700000000, -0.0108154200000000, 0.0088110800000000 ] - [ 0.0000930600000000, 0.0000326200000000, -0.0000416800000000 ] - [ 0.0027951400000000, -0.0026670800000000, -0.0001205400000000 ] - [ -0.0000418800000000, 0.0003247200000000, 0.0000059800000000 ] - [ 0.0024223400000000, 0.0022853000000000, -0.0001495900000000 ] - [ 0.0000466900000000, -0.0003704900000000, -0.0000378400000000 ] - [ -0.0015306800000000, -0.0015689900000000, -0.0008100400000000 ] - [ -0.0001997800000000, 0.0001507000000000, -0.0000158200000000 ] - [ -0.0015488300000000, 0.0011091000000000, -0.0008202200000000 ] - [ -0.0002095500000000, -0.0002378000000000, -0.0000179700000000 ] - [ 0.0041300400000000, -0.0000609000000000, -0.0040322200000000 ] - [ 0.0000885000000000, -0.0000509600000000, -0.0001363800000000 ] - [ 0.0004407200000000, 0.0003277300000000, -0.0007782900000000 ] - [ 0.0004388500000000, -0.0002126900000000, -0.0007554500000000 ] - [ 0.0003977800000000, -0.0016721800000000, -0.0046155700000000 ] - [ 0.0000165900000000, -0.0001843300000000, -0.0000064400000000 ] - [ -0.0003574800000000, 0.0014391300000000, -0.0034207400000000 ] - [ 0.0000160500000000, 0.0000377000000000, -0.0000530800000000 ] - [ 0.0058582400000000, 0.0029448700000000, 0.0001002000000000 ] - [ 0.0000358900000000, -0.0000574700000000, -0.0000153400000000 ] - [ 0.0058832400000000, -0.0029616900000000, 0.0000074300000000 ] - [ 0.0000320200000000, 0.0000973400000000, -0.0001079200000000 ] - [ 0.0008866100000000, 0.0003553400000000, 0.0001031200000000 ] - [ 0.0000924800000000, -0.0000258300000000, -0.0000419400000000 ] - [ 0.0007158000000000, -0.0003826300000000, 0.0000697600000000 ] - [ 0.0000240900000000, -0.0000115500000000, -0.0000452200000000 ] - [ 0.0367342400000000, -0.0009196900000000, 0.0082929500000000 ] - [ -0.0002902800000000, -0.0000178500000000, -0.0000780500000000 ] - [ -0.0002390200000000, 0.0000109600000000, -0.0002163400000000 ] - [ -0.0002211400000000, -0.0000820100000000, -0.0001866300000000 ] - [ -0.0008769300000000, 0.0003373400000000, -0.0002503700000000 ] - [ -0.0007539100000000, -0.0003344500000000, -0.0002130400000000 ] - [ 0.0008521400000000, 0.0000708900000000, 0.0005751600000000 ] - [ 0.0003161400000000, -0.0000184500000000, 0.0000650500000000 ] - [ 0.0005620900000000, 0.0013719500000000, 0.0003108100000000 ] - [ 0.0000230700000000, -0.0004139600000000, 0.0001053200000000 ] - [ 0.0005998100000000, -0.0013794000000000, 0.0003027000000000 ] - [ 0.0001038300000000, 0.0004046300000000, 0.0001257100000000 ] - [ 0.0013968900000000, -0.0006117400000000, 0.0028871300000000 ] - [ 0.0000327700000000, -0.0000853300000000, 0.0000454200000000 ] - [ 0.0013746400000000, 0.0006960700000000, 0.0029510700000000 ] - [ 0.0000384800000000, 0.0001229900000000, 0.0001406100000000 ] - [ -0.0037952400000000, 0.0086653600000000, 0.0140495400000000 ] - [ -0.0000504100000000, -0.0002394400000000, -0.0000573900000000 ] - [ -0.0042078900000000, -0.0088074000000000, 0.0120644400000000 ] - [ -0.0000553500000000, 0.0000958700000000, -0.0000196900000000 ] - [ -0.0001977300000000, -0.0000559200000000, 0.0005711500000000 ] - [ -0.0001923200000000, 0.0000725300000000, 0.0005333900000000 ] - [ -0.0020422300000000, 0.0001051400000000, 0.0100315300000000 ] - [ -0.0000809400000000, -0.0000521600000000, 0.0001545900000000 ] - [ -0.0009860800000000, -0.0014669500000000, 0.0009398300000000 ] - [ -0.0000293900000000, 0.0003708200000000, -0.0001520900000000 ] - [ -0.0010732200000000, 0.0016128300000000, 0.0010030200000000 ] - [ 0.0000032200000000, -0.0003537700000000, -0.0001206600000000 ] - [ 0.0001254400000000, -0.0014843400000000, 0.0020719400000000 ] - [ 0.0001291000000000, 0.0002566400000000, 0.0000600900000000 ] - [ 0.0001638200000000, 0.0010632700000000, 0.0016908700000000 ] - [ 0.0001043000000000, -0.0003446900000000, 0.0001093000000000 ] - [ 0.0020515500000000, 0.0005221700000000, 0.0029885200000000 ] - [ -0.0000721600000000, 0.0000218300000000, 0.0000913800000000 ] - [ 0.0018202300000000, -0.0002880000000000, 0.0027762500000000 ] - [ 0.0000442200000000, -0.0000102500000000, 0.0001376000000000 ] - [ -0.0013025300000000, 0.0000142200000000, -0.0011763600000000 ] - [ -0.0001279300000000, -0.0000135000000000, 0.0000488400000000 ] - [ 0.0003516100000000, -0.0000070100000000, 0.0002894800000000 ] - [ 0.0003714700000000, 0.0000739700000000, 0.0002780000000000 ]- atom: 49 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0039766800000000, -0.0024301200000000, -0.0028204700000000 ] - [ 0.0000244200000000, 0.0000926600000000, -0.0000535700000000 ] - [ 0.0036256100000000, 0.0024763500000000, -0.0032991200000000 ] - [ 0.0000329500000000, -0.0001117900000000, -0.0000991400000000 ] - [ 0.0016328500000000, 0.0018069900000000, 0.0036268600000000 ] - [ 0.0000441100000000, -0.0000389800000000, 0.0001185400000000 ] - [ 0.0015287700000000, -0.0016636400000000, 0.0034324400000000 ] - [ 0.0000401300000000, 0.0000284600000000, 0.0001911400000000 ] - [ -0.0998851000000000, -0.0078004300000000, -0.0770872600000000 ] - [ -0.0002552800000000, 0.0000017800000000, -0.0000458100000000 ] - [ 0.0038033700000000, 0.0040719200000000, 0.0052219000000000 ] - [ 0.0000269500000000, -0.0000148400000000, 0.0000444200000000 ] - [ 0.0010137700000000, 0.0005793100000000, -0.0000295100000000 ] - [ 0.0011953900000000, -0.0007179300000000, -0.0001467500000000 ] - [ 0.0022194800000000, 0.0021201700000000, 0.0022646400000000 ] - [ 0.0001671400000000, -0.0002962700000000, 0.0000380400000000 ] - [ 0.0020122900000000, -0.0023267000000000, 0.0022018800000000 ] - [ 0.0001846700000000, -0.0000031200000000, 0.0000470900000000 ] - [ -0.0083282500000000, 0.0008044000000000, -0.0032534300000000 ] - [ -0.0001336000000000, 0.0000391800000000, -0.0001539500000000 ] - [ -0.0076991100000000, -0.0012025100000000, -0.0023973300000000 ] - [ -0.0001498300000000, -0.0000962400000000, -0.0001829700000000 ] - [ -0.0004717000000000, 0.0008151400000000, 0.0002518100000000 ] - [ -0.0005861800000000, -0.0009652500000000, 0.0003016300000000 ] - [ 0.0024650000000000, 0.0001770000000000, -0.0009750400000000 ] - [ 0.0002395200000000, 0.0000085800000000, 0.0000561800000000 ] - [ -0.0001989000000000, 0.0000748100000000, -0.0001074600000000 ] - [ -0.0001687900000000, -0.0001010200000000, -0.0000797700000000 ] - [ -0.0012426600000000, 0.0007488100000000, -0.0000624500000000 ] - [ -0.0014947900000000, -0.0009539200000000, -0.0000116500000000 ] - [ 0.0202826600000000, -0.0002159800000000, -0.0076655100000000 ] - [ 0.0000587900000000, -0.0000230700000000, 0.0002924600000000 ] - [ -0.0004418700000000, 0.0007028300000000, -0.0041756700000000 ] - [ -0.0002328200000000, 0.0001074900000000, 0.0000835200000000 ] - [ -0.0001570100000000, -0.0015464100000000, -0.0006581500000000 ] - [ -0.0001771800000000, 0.0016197100000000, -0.0006505000000000 ] - [ 0.0001178000000000, -0.0000299000000000, 0.0002212500000000 ] - [ 0.0001624400000000, 0.0000213500000000, 0.0002459100000000 ] - [ -0.1495973400000000, 0.0096739000000000, -0.1424208300000000 ] - [ 0.0001909500000000, 0.0001116800000000, -0.0001550700000000 ] - [ 0.0012126800000000, -0.0000264000000000, 0.0064924500000000 ] - [ -0.0000082500000000, -0.0000247600000000, -0.0002749600000000 ] - [ -0.0004443400000000, -0.0005721000000000, 0.0000266100000000 ] - [ -0.0005164900000000, 0.0005877500000000, 0.0000075700000000 ] - [ 0.0050434000000000, -0.0050070900000000, 0.0066970000000000 ] - [ 0.0000168400000000, 0.0002166900000000, 0.0000609800000000 ] - [ 0.0003467000000000, -0.0002306000000000, 0.0000484600000000 ] - [ 0.0004149400000000, 0.0003456700000000, 0.0000302800000000 ] - [ 0.2993365800000000, -0.0014376000000000, 0.2789688200000000 ] - [ 0.0001933700000000, 0.0000004700000000, 0.0000067000000000 ] - [ -0.0142617000000000, -0.0115659600000000, -0.0083151900000000 ] - [ 0.0000423700000000, 0.0001150700000000, -0.0000604300000000 ] - [ -0.0133586300000000, 0.0106441400000000, -0.0087535200000000 ] - [ 0.0001606100000000, -0.0000896500000000, 0.0000029500000000 ] - [ -0.0029938300000000, 0.0026626800000000, 0.0001067800000000 ] - [ -0.0001705800000000, -0.0003055600000000, -0.0000218300000000 ] - [ -0.0025664100000000, -0.0023157000000000, 0.0001558500000000 ] - [ -0.0002002000000000, 0.0003203800000000, 0.0000422100000000 ] - [ 0.0014386400000000, 0.0014040000000000, 0.0009977500000000 ] - [ 0.0001207400000000, -0.0003258700000000, 0.0002091400000000 ] - [ 0.0014865500000000, -0.0009196300000000, 0.0010484400000000 ] - [ 0.0001584800000000, 0.0004373200000000, 0.0002505100000000 ] - [ -0.0040210200000000, -0.0000304300000000, 0.0038450000000000 ] - [ 0.0000286400000000, -0.0000419700000000, -0.0000762900000000 ] - [ -0.0004650900000000, -0.0003005500000000, 0.0001478100000000 ] - [ -0.0004643600000000, 0.0002414600000000, 0.0001175100000000 ] - [ -0.0003624600000000, 0.0012944800000000, 0.0046478000000000 ] - [ 0.0000288500000000, -0.0001829200000000, 0.0000642300000000 ] - [ 0.0003806800000000, -0.0013076100000000, 0.0033920900000000 ] - [ 0.0000220500000000, 0.0000844700000000, 0.0000391900000000 ] - [ -0.0059070000000000, -0.0030343600000000, -0.0000595000000000 ] - [ -0.0000583500000000, -0.0000070200000000, 0.0000631700000000 ] - [ -0.0059604200000000, 0.0031745400000000, -0.0001527200000000 ] - [ -0.0000801900000000, 0.0000865000000000, -0.0000306300000000 ] - [ -0.0008084400000000, -0.0003333800000000, -0.0001547000000000 ] - [ -0.0000132100000000, 0.0000548600000000, -0.0000061700000000 ] - [ -0.0007945500000000, 0.0003212700000000, -0.0001628800000000 ] - [ -0.0001002100000000, -0.0000573700000000, -0.0000425300000000 ] - [ -0.0379077700000000, 0.0009138500000000, -0.0086472800000000 ] - [ -0.0003237800000000, -0.0000087100000000, -0.0000451900000000 ] - [ 0.0002750800000000, -0.0000417700000000, 0.0000162500000000 ] - [ 0.0002582400000000, 0.0000497800000000, -0.0000141200000000 ] - [ 0.0008382200000000, -0.0003654100000000, 0.0004498200000000 ] - [ 0.0007137400000000, 0.0003003400000000, 0.0004133200000000 ] - [ -0.0002400500000000, -0.0000955800000000, -0.0004549400000000 ] - [ 0.0002972600000000, -0.0000075500000000, 0.0000575500000000 ] - [ -0.0006331600000000, -0.0013416900000000, -0.0002677600000000 ] - [ -0.0001024400000000, 0.0004405800000000, -0.0000572200000000 ] - [ -0.0005112200000000, 0.0013094500000000, -0.0002199100000000 ] - [ -0.0000258800000000, -0.0004719000000000, -0.0000399200000000 ] - [ -0.0013672900000000, 0.0005488100000000, -0.0029474200000000 ] - [ -0.0000084000000000, 0.0000207500000000, -0.0000960500000000 ] - [ -0.0013205900000000, -0.0005100000000000, -0.0028221100000000 ] - [ 0.0000076700000000, 0.0000613800000000, -0.0000011400000000 ] - [ 0.0038828100000000, -0.0089826000000000, -0.0140483400000000 ] - [ 0.0000028100000000, -0.0001282700000000, -0.0000007000000000 ] - [ 0.0042957700000000, 0.0088717800000000, -0.0119782900000000 ] - [ 0.0000181400000000, 0.0000261700000000, 0.0000334300000000 ] - [ 0.0002247200000000, 0.0000835300000000, 0.0000555400000000 ] - [ 0.0002205100000000, -0.0000450700000000, 0.0001012100000000 ] - [ 0.0018847500000000, -0.0001941200000000, -0.0098383300000000 ] - [ -0.0000363000000000, -0.0000407400000000, 0.0000578200000000 ] - [ 0.0010312700000000, 0.0016531500000000, -0.0011641400000000 ] - [ 0.0000796300000000, -0.0001721700000000, -0.0000811000000000 ] - [ 0.0011461200000000, -0.0017761600000000, -0.0011836500000000 ] - [ 0.0000739200000000, 0.0001778500000000, -0.0000711700000000 ] - [ 0.0000823600000000, 0.0014896400000000, -0.0020431200000000 ] - [ 0.0000803900000000, -0.0002400300000000, -0.0000450000000000 ] - [ -0.0000121300000000, -0.0011031000000000, -0.0016866000000000 ] - [ 0.0000488200000000, 0.0002963000000000, -0.0001143100000000 ] - [ -0.0022984300000000, -0.0005790000000000, -0.0029228600000000 ] - [ -0.0001822100000000, -0.0000796200000000, -0.0000516000000000 ] - [ -0.0018425000000000, 0.0003708500000000, -0.0026008100000000 ] - [ -0.0000695900000000, 0.0000902700000000, 0.0000150100000000 ] - [ 0.0010214300000000, -0.0000221500000000, 0.0012652200000000 ] - [ -0.0001501100000000, 0.0000031600000000, 0.0000321800000000 ] - [ -0.0000690200000000, 0.0000798100000000, -0.0002658600000000 ] - [ -0.0000845100000000, -0.0000014000000000, -0.0002546300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026263200000000, 0.0002082800000000, -0.0009236800000000 ] - [ -0.0002103600000000, -0.0010018500000000, 0.0000840900000000 ] - [ -0.0022104500000000, -0.0002505800000000, 0.0013565400000000 ] - [ 0.0002078000000000, -0.0010763900000000, -0.0000071300000000 ] - [ -0.0019819300000000, -0.0006550400000000, -0.0019716300000000 ] - [ 0.0001011700000000, -0.0009725600000000, -0.0000339600000000 ] - [ 0.0020645200000000, -0.0008578500000000, 0.0022201000000000 ] - [ -0.0000598000000000, -0.0010231500000000, -0.0000429900000000 ] - [ 0.0064162100000000, 0.0177298500000000, 0.0056604600000000 ] - [ -0.0001745100000000, -0.0014223900000000, -0.0000299000000000 ] - [ -0.0012662900000000, -0.0009383500000000, -0.0023293800000000 ] - [ 0.0000486500000000, -0.0011379100000000, 0.0000404000000000 ] - [ 0.0000594600000000, -0.0009098700000000, -0.0000207400000000 ] - [ -0.0002478100000000, -0.0007721600000000, -0.0000396000000000 ] - [ -0.0006201200000000, 0.0015521900000000, 0.0000675500000000 ] - [ 0.0000894000000000, -0.0016565400000000, 0.0000148400000000 ] - [ 0.0007211900000000, 0.0012560100000000, 0.0000939100000000 ] - [ -0.0000894100000000, -0.0016342500000000, -0.0000142300000000 ] - [ 0.0045764300000000, -0.0045492700000000, -0.0068341800000000 ] - [ -0.0000047500000000, -0.0017144700000000, 0.0002076300000000 ] - [ -0.0049238200000000, -0.0045491600000000, 0.0051413000000000 ] - [ -0.0000149000000000, -0.0019422400000000, -0.0002830700000000 ] - [ -0.0002074400000000, -0.0010489700000000, -0.0005820900000000 ] - [ 0.0004574500000000, -0.0009373200000000, 0.0007411300000000 ] - [ 0.0000931600000000, 0.0039533900000000, -0.0001816300000000 ] - [ 0.0001702700000000, -0.0013505900000000, 0.0000338000000000 ] - [ -0.0001787300000000, -0.0001960600000000, 0.0001942500000000 ] - [ 0.0001286800000000, -0.0001882400000000, -0.0001585800000000 ] - [ 0.0004003800000000, -0.0033503900000000, -0.0001824500000000 ] - [ -0.0005363500000000, -0.0038400400000000, 0.0006629000000000 ] - [ 0.0002427600000000, 0.0029189900000000, 0.0002431400000000 ] - [ 0.0000236400000000, -0.0015951500000000, 0.0003516900000000 ] - [ -0.0001869600000000, 0.0075351000000000, -0.0000335700000000 ] - [ -0.0002352300000000, -0.0015984800000000, 0.0000774900000000 ] - [ 0.0007999000000000, -0.0014485600000000, 0.0002361800000000 ] - [ -0.0012337600000000, -0.0013268500000000, -0.0005652100000000 ] - [ -0.0002412900000000, -0.0006966600000000, -0.0002156100000000 ] - [ 0.0004799200000000, -0.0006492900000000, 0.0004514500000000 ] - [ -0.0080719600000000, 0.0370795400000000, -0.0094168900000000 ] - [ 0.0002318000000000, -0.0016470100000000, -0.0000795400000000 ] - [ 0.0001042200000000, 0.0031054900000000, -0.0005470400000000 ] - [ -0.0000225500000000, -0.0015887300000000, -0.0003478700000000 ] - [ -0.0003448500000000, -0.0016000300000000, 0.0000997900000000 ] - [ 0.0002520800000000, -0.0015098400000000, -0.0005228000000000 ] - [ 0.0016216900000000, -0.0010493400000000, 0.0026582600000000 ] - [ -0.0000348600000000, -0.0015579400000000, -0.0000361100000000 ] - [ -0.0001207600000000, 0.0008059300000000, 0.0004890500000000 ] - [ -0.0001720100000000, 0.0008887200000000, -0.0006173000000000 ] - [ 0.0009571500000000, -0.0424318600000000, 0.0034379600000000 ] - [ 0.0001339100000000, 0.0006786600000000, -0.0000301800000000 ] - [ 0.0091443300000000, 0.0009742700000000, 0.0045412000000000 ] - [ 0.0002145500000000, 0.0010543300000000, -0.0001094300000000 ] - [ -0.0075618900000000, 0.0007444900000000, -0.0045862300000000 ] - [ -0.0001392500000000, 0.0009848800000000, -0.0000722400000000 ] - [ -0.0010379500000000, 0.0008997900000000, -0.0000873500000000 ] - [ -0.0004026400000000, 0.0009362500000000, 0.0000896900000000 ] - [ 0.0008427800000000, 0.0009822400000000, 0.0000540100000000 ] - [ 0.0001250300000000, 0.0008322800000000, -0.0000453100000000 ] - [ -0.0011810600000000, 0.0030083900000000, 0.0004868700000000 ] - [ 0.0002173300000000, 0.0014696500000000, -0.0002924200000000 ] - [ 0.0008045700000000, 0.0024937300000000, -0.0000735700000000 ] - [ -0.0002748600000000, 0.0018244400000000, 0.0005535700000000 ] - [ 0.0001114300000000, -0.0015359200000000, -0.0000078700000000 ] - [ 0.0000641500000000, 0.0005484400000000, -0.0001042500000000 ] - [ 0.0003464100000000, 0.0003619500000000, -0.0002953200000000 ] - [ -0.0002758500000000, 0.0004352000000000, -0.0003263100000000 ] - [ -0.0029626900000000, -0.0029304800000000, 0.0032582900000000 ] - [ 0.0002211300000000, 0.0009807100000000, -0.0003098300000000 ] - [ 0.0025645900000000, -0.0025680100000000, -0.0026676200000000 ] - [ -0.0001964500000000, 0.0012571600000000, 0.0003463500000000 ] - [ -0.0010526400000000, -0.0018949000000000, -0.0002670600000000 ] - [ 0.0001647100000000, 0.0009870600000000, 0.0002743000000000 ] - [ 0.0009061300000000, -0.0015480900000000, 0.0000913700000000 ] - [ -0.0002038900000000, 0.0011134100000000, -0.0003208600000000 ] - [ -0.0002946600000000, -0.0002088200000000, 0.0000230700000000 ] - [ 0.0002006100000000, 0.0008301000000000, 0.0002138500000000 ] - [ 0.0001794700000000, -0.0001252800000000, -0.0001485700000000 ] - [ -0.0002169900000000, 0.0007684800000000, -0.0002792200000000 ] - [ -0.0008486400000000, -0.0069039700000000, -0.0002768400000000 ] - [ -0.0003071300000000, 0.0005742700000000, -0.0000593900000000 ] - [ -0.0004042800000000, 0.0004223500000000, -0.0000696700000000 ] - [ 0.0004363700000000, 0.0004409800000000, -0.0000903900000000 ] - [ 0.0007575000000000, 0.0009870000000000, 0.0003477100000000 ] - [ -0.0006012600000000, 0.0009036700000000, -0.0000745100000000 ] - [ 0.0001455500000000, -0.0017130700000000, 0.0001478400000000 ] - [ 0.0003072300000000, 0.0005634200000000, 0.0000590300000000 ] - [ 0.0009043300000000, 0.0002688500000000, 0.0000819400000000 ] - [ -0.0003252200000000, 0.0010676100000000, -0.0003301900000000 ] - [ -0.0009109800000000, 0.0004535700000000, 0.0000601600000000 ] - [ 0.0003703900000000, 0.0010019900000000, 0.0004039900000000 ] - [ 0.0011588800000000, -0.0019343900000000, 0.0007126500000000 ] - [ -0.0001872100000000, 0.0010035400000000, -0.0002939200000000 ] - [ -0.0011032300000000, -0.0017202400000000, -0.0006843400000000 ] - [ 0.0002231200000000, 0.0011288700000000, 0.0003382100000000 ] - [ 0.0081490500000000, 0.0013786900000000, 0.0196584100000000 ] - [ -0.0002029200000000, 0.0009814700000000, 0.0002480400000000 ] - [ -0.0077392200000000, 0.0033613100000000, -0.0190426800000000 ] - [ 0.0001820800000000, 0.0012548500000000, -0.0002600300000000 ] - [ -0.0000334800000000, 0.0002397500000000, -0.0000459000000000 ] - [ 0.0000512600000000, 0.0002966000000000, 0.0006211400000000 ] - [ -0.0000832900000000, -0.0040422200000000, 0.0004054700000000 ] - [ -0.0000637700000000, 0.0005600600000000, 0.0001001000000000 ] - [ 0.0007120800000000, 0.0017898800000000, -0.0013864400000000 ] - [ 0.0001690100000000, 0.0011648500000000, -0.0002640800000000 ] - [ -0.0005342700000000, 0.0014413600000000, 0.0011185300000000 ] - [ -0.0001055500000000, 0.0010099700000000, 0.0000825100000000 ] - [ -0.0000294000000000, 0.0002835000000000, -0.0005433200000000 ] - [ 0.0004566600000000, 0.0009065300000000, -0.0000070000000000 ] - [ 0.0000827100000000, 0.0003454200000000, 0.0004626900000000 ] - [ -0.0002259200000000, 0.0008229100000000, -0.0000679700000000 ] - [ -0.0011458800000000, -0.0016006100000000, -0.0002049300000000 ] - [ 0.0001634900000000, 0.0009532900000000, 0.0001027200000000 ] - [ 0.0008749900000000, -0.0015870700000000, -0.0000124600000000 ] - [ -0.0002509400000000, 0.0010072700000000, 0.0000728800000000 ] - [ -0.0001581900000000, -0.0022411500000000, 0.0001900300000000 ] - [ -0.0001307400000000, 0.0006397900000000, 0.0000329100000000 ] - [ 0.0001622000000000, 0.0004055600000000, -0.0001085000000000 ] - [ 0.0001609800000000, 0.0003709800000000, 0.0001199800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026625000000000, -0.0001616800000000, 0.0010379100000000 ] - [ 0.0001830000000000, 0.0010605600000000, 0.0000332500000000 ] - [ 0.0021748300000000, 0.0002022700000000, -0.0013336600000000 ] - [ -0.0002334300000000, 0.0010207700000000, 0.0000370100000000 ] - [ 0.0020089800000000, 0.0006969200000000, 0.0018341000000000 ] - [ -0.0000664200000000, 0.0010282000000000, -0.0000977900000000 ] - [ -0.0020479000000000, 0.0008091200000000, -0.0022365200000000 ] - [ 0.0000749200000000, 0.0009688800000000, 0.0000268600000000 ] - [ -0.0073753600000000, -0.0178472500000000, -0.0062519900000000 ] - [ -0.0001898300000000, 0.0014587200000000, -0.0000452800000000 ] - [ 0.0012687900000000, 0.0012707100000000, 0.0023346200000000 ] - [ -0.0000495500000000, 0.0014632900000000, -0.0000405100000000 ] - [ -0.0002356800000000, 0.0009268200000000, 0.0000053500000000 ] - [ 0.0000719700000000, 0.0007825500000000, 0.0000214900000000 ] - [ 0.0006170700000000, -0.0018309100000000, -0.0000708500000000 ] - [ -0.0000899500000000, 0.0013890000000000, -0.0000139200000000 ] - [ -0.0007228600000000, -0.0015592500000000, -0.0000976900000000 ] - [ 0.0000891700000000, 0.0013164700000000, 0.0000140000000000 ] - [ -0.0045709400000000, 0.0047568200000000, 0.0069051600000000 ] - [ 0.0000056300000000, 0.0019153900000000, -0.0002061400000000 ] - [ 0.0049245300000000, 0.0043065400000000, -0.0050945200000000 ] - [ 0.0000146300000000, 0.0017071800000000, 0.0002858200000000 ] - [ 0.0003823500000000, 0.0010642800000000, 0.0005946900000000 ] - [ -0.0002835300000000, 0.0009480800000000, -0.0007279000000000 ] - [ 0.0002684700000000, -0.0039166900000000, 0.0002625100000000 ] - [ 0.0001946100000000, 0.0013870800000000, 0.0000416200000000 ] - [ 0.0001797200000000, 0.0001462500000000, -0.0001949100000000 ] - [ -0.0001281300000000, 0.0001350600000000, 0.0001586000000000 ] - [ -0.0003465100000000, 0.0033452200000000, 0.0005928500000000 ] - [ 0.0005942700000000, 0.0038678200000000, -0.0002548800000000 ] - [ -0.0002488700000000, -0.0029268300000000, 0.0004981100000000 ] - [ 0.0000212500000000, 0.0015879100000000, 0.0003614500000000 ] - [ -0.0002688400000000, -0.0072775600000000, 0.0001878900000000 ] - [ -0.0002200700000000, 0.0018554400000000, 0.0000785900000000 ] - [ -0.0009825000000000, 0.0014887900000000, -0.0004197100000000 ] - [ 0.0010532500000000, 0.0013598600000000, 0.0003849300000000 ] - [ 0.0004293100000000, 0.0007373000000000, 0.0004014700000000 ] - [ -0.0002922300000000, 0.0006821500000000, -0.0002668100000000 ] - [ 0.0094700900000000, -0.0370486900000000, 0.0104089600000000 ] - [ 0.0002234000000000, 0.0019050100000000, -0.0000765200000000 ] - [ -0.0001563400000000, -0.0031126400000000, -0.0001478300000000 ] - [ -0.0000229500000000, 0.0015823500000000, -0.0003662500000000 ] - [ 0.0002943400000000, 0.0016106400000000, -0.0005117300000000 ] - [ -0.0003023100000000, 0.0015142600000000, 0.0001120900000000 ] - [ -0.0016186900000000, 0.0011067800000000, -0.0026525400000000 ] - [ 0.0000341400000000, 0.0016261600000000, 0.0000355500000000 ] - [ -0.0001614000000000, -0.0007331800000000, -0.0005118000000000 ] - [ -0.0001038500000000, -0.0008220600000000, 0.0005943700000000 ] - [ -0.0010585900000000, 0.0427887000000000, -0.0039387700000000 ] - [ 0.0001397500000000, -0.0006895400000000, -0.0000427900000000 ] - [ -0.0090672900000000, -0.0009082700000000, -0.0046852100000000 ] - [ -0.0001920900000000, -0.0009770600000000, -0.0000513200000000 ] - [ 0.0078471300000000, -0.0007869800000000, 0.0045514800000000 ] - [ 0.0003870200000000, -0.0010380900000000, 0.0000278000000000 ] - [ 0.0008317000000000, -0.0008787200000000, 0.0000691600000000 ] - [ 0.0001978800000000, -0.0009207400000000, -0.0001056400000000 ] - [ -0.0009884400000000, -0.0010343000000000, -0.0000598500000000 ] - [ -0.0002683100000000, -0.0008791000000000, 0.0000400500000000 ] - [ 0.0011135700000000, -0.0032118100000000, -0.0002960100000000 ] - [ -0.0003000900000000, -0.0016405200000000, 0.0004903700000000 ] - [ -0.0008459300000000, -0.0022842300000000, 0.0003120300000000 ] - [ 0.0002264400000000, -0.0016368300000000, -0.0003113800000000 ] - [ 0.0000197200000000, 0.0014431800000000, -0.0002113900000000 ] - [ 0.0000617900000000, -0.0006414500000000, -0.0001041600000000 ] - [ -0.0003750400000000, -0.0003321600000000, -0.0003342600000000 ] - [ 0.0002505300000000, -0.0004079300000000, -0.0003049400000000 ] - [ 0.0030215400000000, 0.0025723600000000, -0.0032094900000000 ] - [ -0.0001741400000000, -0.0013507700000000, 0.0003704500000000 ] - [ -0.0025128800000000, 0.0026888900000000, 0.0026507300000000 ] - [ 0.0002401600000000, -0.0011300100000000, -0.0003550400000000 ] - [ 0.0010409100000000, 0.0018364600000000, 0.0003139900000000 ] - [ -0.0001877700000000, -0.0010557600000000, -0.0002276900000000 ] - [ -0.0009498900000000, 0.0017308100000000, -0.0002259900000000 ] - [ 0.0001477500000000, -0.0009206200000000, 0.0001860400000000 ] - [ 0.0003762600000000, 0.0002377200000000, -0.0000714900000000 ] - [ -0.0001214900000000, -0.0008086200000000, -0.0002648200000000 ] - [ -0.0002598900000000, 0.0000557100000000, 0.0000621100000000 ] - [ 0.0001341800000000, -0.0008330900000000, 0.0001917800000000 ] - [ 0.0003069600000000, 0.0068721200000000, 0.0001776100000000 ] - [ -0.0003028200000000, -0.0005990100000000, -0.0000531900000000 ] - [ 0.0004487400000000, -0.0004540400000000, -0.0001360000000000 ] - [ -0.0003918300000000, -0.0004744500000000, -0.0001165800000000 ] - [ -0.0008098100000000, -0.0010217900000000, -0.0001464000000000 ] - [ 0.0005520000000000, -0.0009341600000000, 0.0002787000000000 ] - [ 0.0004716500000000, 0.0016892200000000, -0.0000374600000000 ] - [ 0.0003022100000000, -0.0005873700000000, 0.0000532900000000 ] - [ -0.0009841100000000, -0.0002375900000000, -0.0000346700000000 ] - [ 0.0002452300000000, -0.0010464700000000, 0.0003814100000000 ] - [ 0.0009929400000000, -0.0005238200000000, 0.0000251500000000 ] - [ -0.0002871100000000, -0.0010665100000000, -0.0003185000000000 ] - [ -0.0011341200000000, 0.0018715100000000, -0.0007615200000000 ] - [ 0.0002111000000000, -0.0010713500000000, 0.0002453100000000 ] - [ 0.0011566700000000, 0.0019073900000000, 0.0008194400000000 ] - [ -0.0001683700000000, -0.0009353600000000, -0.0002022900000000 ] - [ -0.0082511300000000, -0.0017227200000000, -0.0198596400000000 ] - [ 0.0001553400000000, -0.0013513700000000, -0.0003084600000000 ] - [ 0.0076282300000000, -0.0032214900000000, 0.0188719700000000 ] - [ -0.0002250600000000, -0.0011268000000000, 0.0002672400000000 ] - [ 0.0000602000000000, -0.0002108400000000, 0.0006774200000000 ] - [ -0.0000272100000000, -0.0002699500000000, 0.0000118200000000 ] - [ -0.0000442900000000, 0.0039483500000000, -0.0002232900000000 ] - [ -0.0000624300000000, -0.0006527900000000, 0.0001082200000000 ] - [ -0.0006639300000000, -0.0015983700000000, 0.0011426500000000 ] - [ -0.0001204000000000, -0.0009694300000000, 0.0000179700000000 ] - [ 0.0006104500000000, -0.0016073900000000, -0.0013142900000000 ] - [ 0.0001875400000000, -0.0011861600000000, -0.0002809900000000 ] - [ 0.0002354900000000, -0.0002628500000000, 0.0005611300000000 ] - [ -0.0002524500000000, -0.0008910100000000, 0.0000224200000000 ] - [ 0.0000635700000000, -0.0003965800000000, -0.0004569800000000 ] - [ 0.0003712500000000, -0.0008699300000000, 0.0000744300000000 ] - [ 0.0008997500000000, 0.0015499400000000, 0.0002513800000000 ] - [ -0.0004121500000000, -0.0010084700000000, -0.0000586400000000 ] - [ -0.0008974400000000, 0.0016633300000000, 0.0001702000000000 ] - [ 0.0002286800000000, -0.0009293000000000, 0.0000879200000000 ] - [ -0.0001161200000000, 0.0022310500000000, -0.0001168900000000 ] - [ -0.0001423100000000, -0.0006501300000000, 0.0000407800000000 ] - [ 0.0001188200000000, -0.0003363700000000, 0.0001350100000000 ] - [ 0.0001136700000000, -0.0003002000000000, -0.0000909100000000 ]- atom: 49 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0015747900000000, -0.0004903500000000, 0.0018767700000000 ] - [ 0.0000490300000000, 0.0000313800000000, 0.0001244800000000 ] - [ 0.0013092500000000, 0.0002840400000000, 0.0015510100000000 ] - [ 0.0000661500000000, -0.0000424100000000, 0.0000942000000000 ] - [ -0.0029092400000000, -0.0013692500000000, -0.0032613400000000 ] - [ -0.0000860000000000, 0.0000592800000000, -0.0001511800000000 ] - [ -0.0026775600000000, 0.0011760200000000, -0.0029833000000000 ] - [ -0.0001144800000000, -0.0000708200000000, -0.0001056000000000 ] - [ 0.0175092000000000, 0.0022387100000000, 0.0350148800000000 ] - [ -0.0001636600000000, 0.0000063200000000, -0.0000034100000000 ] - [ -0.0011925100000000, -0.0007202700000000, -0.0007724200000000 ] - [ -0.0000368900000000, 0.0002831200000000, -0.0000033100000000 ] - [ -0.0001838900000000, -0.0002968400000000, -0.0000959100000000 ] - [ -0.0002117700000000, 0.0003927200000000, -0.0001027100000000 ] - [ -0.0000569400000000, 0.0012969000000000, -0.0000104100000000 ] - [ -0.0000343300000000, -0.0001348800000000, -0.0000127700000000 ] - [ -0.0000922000000000, -0.0015917900000000, -0.0000584800000000 ] - [ -0.0000294200000000, -0.0001753600000000, -0.0000129200000000 ] - [ 0.0035776400000000, -0.0077484500000000, -0.0018744400000000 ] - [ 0.0000295000000000, 0.0002295700000000, 0.0000758700000000 ] - [ 0.0034594400000000, 0.0065511600000000, -0.0011904300000000 ] - [ 0.0000257400000000, -0.0002897300000000, 0.0000789800000000 ] - [ -0.0000085600000000, -0.0005420000000000, -0.0001560500000000 ] - [ -0.0000058800000000, 0.0006541300000000, -0.0002101400000000 ] - [ 0.0003087300000000, 0.0000259000000000, -0.0028955100000000 ] - [ 0.0001631800000000, 0.0000039200000000, -0.0000006100000000 ] - [ 0.0001291500000000, 0.0002034200000000, -0.0000566700000000 ] - [ 0.0001126900000000, -0.0002071400000000, -0.0000394600000000 ] - [ -0.0004065900000000, 0.0004450000000000, 0.0013671000000000 ] - [ -0.0005701100000000, -0.0005314500000000, 0.0015760900000000 ] - [ 0.0041291300000000, -0.0000098700000000, -0.0000780900000000 ] - [ -0.0000037900000000, -0.0000137400000000, 0.0003704900000000 ] - [ 0.0048121700000000, 0.0007075900000000, -0.0056503900000000 ] - [ -0.0001816400000000, 0.0001067600000000, 0.0000325400000000 ] - [ -0.0003404600000000, 0.0003805900000000, 0.0004540900000000 ] - [ -0.0003929700000000, -0.0003469000000000, 0.0005723200000000 ] - [ 0.0005845800000000, 0.0000534800000000, -0.0002039400000000 ] - [ 0.0006735900000000, -0.0000744600000000, -0.0002984900000000 ] - [ 0.0481944900000000, -0.0044996300000000, 0.1046381600000000 ] - [ 0.0001990700000000, 0.0001094700000000, -0.0000093300000000 ] - [ 0.0018153800000000, 0.0000729900000000, -0.0106425700000000 ] - [ -0.0000015100000000, -0.0000131900000000, -0.0003852600000000 ] - [ 0.0005903900000000, 0.0011105300000000, -0.0010379200000000 ] - [ 0.0006726100000000, -0.0012393300000000, -0.0011562700000000 ] - [ -0.0016435800000000, 0.0011754500000000, -0.0013482800000000 ] - [ -0.0000445200000000, -0.0001154200000000, 0.0000009300000000 ] - [ 0.0000598000000000, 0.0002721400000000, -0.0004424800000000 ] - [ 0.0000937700000000, -0.0002442100000000, -0.0005215400000000 ] - [ -0.0927130100000000, 0.0026781400000000, -0.1610279700000000 ] - [ 0.0001252900000000, -0.0000013100000000, -0.0000919700000000 ] - [ 0.0023549000000000, 0.0006037300000000, -0.0038209400000000 ] - [ -0.0000039100000000, 0.0000208300000000, -0.0001173200000000 ] - [ 0.0029751300000000, -0.0012609100000000, -0.0023665100000000 ] - [ 0.0001100500000000, 0.0000050300000000, -0.0000568400000000 ] - [ 0.0002599300000000, -0.0006339600000000, 0.0000363900000000 ] - [ -0.0001181500000000, 0.0001242100000000, -0.0000176900000000 ] - [ 0.0000692700000000, 0.0004419900000000, 0.0000369900000000 ] - [ -0.0000975200000000, -0.0001538200000000, -0.0000281600000000 ] - [ -0.0002881400000000, 0.0014748700000000, -0.0013946800000000 ] - [ -0.0000310500000000, -0.0002675700000000, -0.0000279000000000 ] - [ -0.0003049100000000, -0.0011051500000000, -0.0011785500000000 ] - [ -0.0000043100000000, 0.0003461400000000, -0.0000194700000000 ] - [ -0.0011492100000000, -0.0000277200000000, 0.0006618000000000 ] - [ 0.0000584400000000, -0.0000444400000000, -0.0001111600000000 ] - [ 0.0000820400000000, -0.0001172900000000, -0.0006389000000000 ] - [ 0.0000705900000000, 0.0000961700000000, -0.0005888600000000 ] - [ -0.0039945700000000, 0.0011927600000000, 0.0033125900000000 ] - [ -0.0000119300000000, -0.0002169200000000, 0.0000292400000000 ] - [ -0.0030865900000000, -0.0011929400000000, 0.0022798500000000 ] - [ -0.0000240700000000, 0.0001200700000000, -0.0000017300000000 ] - [ -0.0012729800000000, -0.0009558200000000, -0.0003272500000000 ] - [ -0.0000063600000000, -0.0000278000000000, 0.0000068200000000 ] - [ -0.0011798900000000, 0.0009928200000000, -0.0003913100000000 ] - [ -0.0000201800000000, 0.0000963700000000, -0.0000923000000000 ] - [ -0.0004643400000000, -0.0000098400000000, -0.0000161800000000 ] - [ -0.0000330300000000, 0.0000039100000000, -0.0000014600000000 ] - [ -0.0004821100000000, 0.0000596100000000, -0.0000352100000000 ] - [ -0.0001307200000000, 0.0000018400000000, -0.0000144800000000 ] - [ -0.0073618500000000, 0.0001009200000000, -0.0082892000000000 ] - [ -0.0002687500000000, -0.0000100300000000, -0.0000872000000000 ] - [ -0.0005484100000000, 0.0002915600000000, 0.0000105500000000 ] - [ -0.0004823000000000, -0.0002665800000000, -0.0000246700000000 ] - [ 0.0002017700000000, 0.0002293900000000, -0.0002678600000000 ] - [ 0.0001403000000000, -0.0002255000000000, -0.0002061300000000 ] - [ -0.0034216700000000, -0.0001300800000000, 0.0029214200000000 ] - [ 0.0002674400000000, -0.0000092200000000, 0.0000855900000000 ] - [ 0.0010785800000000, 0.0003860200000000, -0.0001974400000000 ] - [ 0.0000236800000000, -0.0000899400000000, 0.0000110000000000 ] - [ 0.0011164700000000, -0.0003652700000000, -0.0001574200000000 ] - [ 0.0001119100000000, 0.0000835500000000, 0.0000150500000000 ] - [ 0.0012041800000000, -0.0019137100000000, 0.0025716800000000 ] - [ 0.0000208900000000, -0.0000320900000000, 0.0000030800000000 ] - [ 0.0010789300000000, 0.0019324200000000, 0.0026412000000000 ] - [ 0.0000307400000000, 0.0000990300000000, 0.0001026900000000 ] - [ 0.0117401100000000, 0.0110770500000000, 0.0146806300000000 ] - [ 0.0000053600000000, -0.0002352600000000, -0.0000596000000000 ] - [ 0.0101302000000000, -0.0110079100000000, 0.0114466100000000 ] - [ 0.0000184200000000, 0.0001339500000000, -0.0000285600000000 ] - [ -0.0001657000000000, -0.0001694700000000, 0.0006806100000000 ] - [ -0.0001254100000000, 0.0001560900000000, 0.0006007100000000 ] - [ 0.0053138800000000, 0.0003375400000000, 0.0167691500000000 ] - [ -0.0000562600000000, -0.0000447100000000, 0.0001209600000000 ] - [ -0.0005504400000000, -0.0018231100000000, 0.0012553300000000 ] - [ 0.0000228100000000, 0.0005198700000000, -0.0001037900000000 ] - [ -0.0006001800000000, 0.0020959200000000, 0.0014303000000000 ] - [ 0.0000336700000000, -0.0004455400000000, -0.0000784800000000 ] - [ 0.0006118300000000, -0.0004017900000000, 0.0004515500000000 ] - [ 0.0001884400000000, 0.0001663100000000, 0.0000464600000000 ] - [ 0.0005850500000000, 0.0003392200000000, 0.0003685100000000 ] - [ 0.0001778000000000, -0.0001905700000000, 0.0000784500000000 ] - [ 0.0004857800000000, -0.0000507000000000, 0.0015561100000000 ] - [ -0.0000833500000000, 0.0000040900000000, 0.0000683600000000 ] - [ 0.0005744400000000, 0.0001601200000000, 0.0015919600000000 ] - [ 0.0000276500000000, 0.0000286800000000, 0.0001263700000000 ] - [ -0.0006350400000000, -0.0001515900000000, 0.0025781400000000 ] - [ -0.0001375900000000, -0.0000028300000000, 0.0000767500000000 ] - [ -0.0000858300000000, -0.0000269800000000, 0.0005363400000000 ] - [ -0.0001071600000000, 0.0001050100000000, 0.0006217100000000 ]- atom: 49 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0016007500000000, 0.0005404300000000, -0.0017792700000000 ] - [ -0.0000754900000000, 0.0000256900000000, -0.0000096500000000 ] - [ -0.0013367900000000, -0.0003345800000000, -0.0015416500000000 ] - [ -0.0000914800000000, -0.0000124100000000, -0.0000680700000000 ] - [ 0.0029368500000000, 0.0014145000000000, 0.0031371800000000 ] - [ 0.0001209300000000, -0.0000082800000000, 0.0000226700000000 ] - [ 0.0026893200000000, -0.0012264100000000, 0.0029663700000000 ] - [ 0.0001307800000000, 0.0000183500000000, 0.0000896100000000 ] - [ -0.0176479900000000, -0.0022127900000000, -0.0355409600000000 ] - [ -0.0001986200000000, 0.0000295600000000, -0.0000727400000000 ] - [ 0.0011970400000000, 0.0010605100000000, 0.0007918100000000 ] - [ 0.0000365500000000, 0.0000470000000000, 0.0000036900000000 ] - [ 0.0000136500000000, 0.0003150000000000, 0.0000785700000000 ] - [ 0.0000372900000000, -0.0003807400000000, 0.0000887900000000 ] - [ 0.0000553700000000, -0.0015743400000000, -0.0000014100000000 ] - [ 0.0000337900000000, -0.0001344700000000, 0.0000130700000000 ] - [ 0.0000907600000000, 0.0012844700000000, 0.0000465600000000 ] - [ 0.0000291500000000, -0.0001347400000000, 0.0000124000000000 ] - [ -0.0035671100000000, 0.0079778500000000, 0.0018778400000000 ] - [ -0.0000288500000000, -0.0000300000000000, -0.0000768200000000 ] - [ -0.0034462000000000, -0.0068059500000000, 0.0011900500000000 ] - [ -0.0000262600000000, 0.0000585800000000, -0.0000798100000000 ] - [ 0.0001800100000000, 0.0005571800000000, 0.0001757000000000 ] - [ 0.0001815500000000, -0.0006401700000000, 0.0002257600000000 ] - [ 0.0000651600000000, 0.0000071900000000, 0.0029830400000000 ] - [ 0.0002000600000000, 0.0000322200000000, 0.0000767500000000 ] - [ -0.0001296500000000, -0.0002536900000000, 0.0000575500000000 ] - [ -0.0001132700000000, 0.0001544200000000, 0.0000406800000000 ] - [ 0.0004565000000000, -0.0004323800000000, -0.0009532200000000 ] - [ 0.0006192700000000, 0.0005404300000000, -0.0011625100000000 ] - [ -0.0041421500000000, -0.0000021400000000, 0.0008242300000000 ] - [ 0.0000463900000000, 0.0000048800000000, 0.0003392600000000 ] - [ -0.0052794200000000, -0.0004580400000000, 0.0058283000000000 ] - [ -0.0002744100000000, 0.0001495200000000, 0.0001275000000000 ] - [ 0.0001496500000000, -0.0003417400000000, -0.0006398200000000 ] - [ 0.0002058300000000, 0.0003868800000000, -0.0007642500000000 ] - [ -0.0003928400000000, -0.0000158700000000, 0.0003872900000000 ] - [ -0.0004859500000000, 0.0001153000000000, 0.0004879200000000 ] - [ -0.0491995600000000, 0.0048198200000000, -0.1048339800000000 ] - [ 0.0002568200000000, 0.0001476900000000, -0.0001516900000000 ] - [ -0.0018662500000000, -0.0000852700000000, 0.0099175400000000 ] - [ -0.0000413700000000, 0.0000049500000000, -0.0003256400000000 ] - [ -0.0006417200000000, -0.0011019200000000, 0.0006244000000000 ] - [ -0.0007229000000000, 0.0012532500000000, 0.0007433200000000 ] - [ 0.0016501600000000, -0.0011273000000000, 0.0013699300000000 ] - [ 0.0000441400000000, 0.0001797600000000, -0.0000009400000000 ] - [ -0.0003341000000000, -0.0002012200000000, 0.0004069700000000 ] - [ -0.0003712500000000, 0.0003155300000000, 0.0004873300000000 ] - [ 0.0943916300000000, -0.0027279600000000, 0.1615887500000000 ] - [ 0.0001522700000000, -0.0000107500000000, 0.0000023800000000 ] - [ -0.0023594500000000, -0.0005389900000000, 0.0036445000000000 ] - [ 0.0000301300000000, 0.0000632500000000, -0.0000373000000000 ] - [ -0.0027432900000000, 0.0012189100000000, 0.0023017200000000 ] - [ 0.0001429200000000, -0.0000637800000000, 0.0000150100000000 ] - [ -0.0004744500000000, 0.0006586800000000, -0.0000524500000000 ] - [ -0.0000894500000000, -0.0001087000000000, 0.0000014000000000 ] - [ -0.0002231600000000, -0.0004938800000000, -0.0000374500000000 ] - [ -0.0000518600000000, 0.0001115800000000, 0.0000294500000000 ] - [ 0.0002072100000000, -0.0016498000000000, 0.0015959300000000 ] - [ -0.0000494300000000, 0.0000943800000000, 0.0002252900000000 ] - [ 0.0002571100000000, 0.0012999000000000, 0.0014239200000000 ] - [ -0.0000437700000000, -0.0001506100000000, 0.0002591000000000 ] - [ 0.0012592000000000, -0.0000668900000000, -0.0008992300000000 ] - [ 0.0000521000000000, -0.0000514300000000, -0.0001103000000000 ] - [ -0.0001086300000000, 0.0001477200000000, 0.0000149100000000 ] - [ -0.0000990600000000, -0.0000683100000000, -0.0000383600000000 ] - [ 0.0040794000000000, -0.0015911000000000, -0.0032859800000000 ] - [ 0.0000568300000000, -0.0001534300000000, 0.0000306400000000 ] - [ 0.0031492600000000, 0.0013437900000000, -0.0023090800000000 ] - [ 0.0000643800000000, 0.0000056800000000, -0.0000090000000000 ] - [ 0.0012660700000000, 0.0008980500000000, 0.0003740700000000 ] - [ -0.0000150700000000, -0.0000411500000000, 0.0000364200000000 ] - [ 0.0011400600000000, -0.0008117100000000, 0.0002567600000000 ] - [ -0.0000325000000000, 0.0000937700000000, -0.0000463100000000 ] - [ 0.0005470200000000, 0.0000344500000000, -0.0000300300000000 ] - [ 0.0001132900000000, 0.0000210300000000, -0.0000486300000000 ] - [ 0.0004029100000000, -0.0001242400000000, -0.0000499600000000 ] - [ 0.0000506500000000, -0.0000674800000000, -0.0000724500000000 ] - [ 0.0068385700000000, -0.0001292300000000, 0.0081657600000000 ] - [ -0.0003430100000000, -0.0000163500000000, -0.0000331800000000 ] - [ 0.0005914200000000, -0.0003242700000000, -0.0002129000000000 ] - [ 0.0005262800000000, 0.0002356100000000, -0.0001782400000000 ] - [ -0.0002447400000000, -0.0002605400000000, 0.0004706200000000 ] - [ -0.0001840300000000, 0.0001937000000000, 0.0004094400000000 ] - [ 0.0040401600000000, 0.0001059200000000, -0.0027986600000000 ] - [ 0.0003441300000000, -0.0000164900000000, 0.0000342300000000 ] - [ -0.0011622200000000, -0.0003636000000000, 0.0002492000000000 ] - [ -0.0001039100000000, 0.0001139100000000, 0.0000400300000000 ] - [ -0.0010366300000000, 0.0003022600000000, 0.0002464000000000 ] - [ -0.0000301000000000, -0.0001487400000000, 0.0000709600000000 ] - [ -0.0011795100000000, 0.0018402900000000, -0.0026054600000000 ] - [ 0.0000020200000000, -0.0000362500000000, -0.0000487000000000 ] - [ -0.0010235400000000, -0.0017349100000000, -0.0024900900000000 ] - [ 0.0000207200000000, 0.0000916200000000, 0.0000368400000000 ] - [ -0.0119559900000000, -0.0115896600000000, -0.0148576300000000 ] - [ -0.0000508500000000, -0.0001348600000000, 0.0000002000000000 ] - [ -0.0103073200000000, 0.0112610000000000, -0.0115062500000000 ] - [ -0.0000576000000000, -0.0000078200000000, 0.0000386800000000 ] - [ 0.0001922600000000, 0.0001978700000000, -0.0000558600000000 ] - [ 0.0001538200000000, -0.0001278900000000, 0.0000271900000000 ] - [ -0.0053530900000000, -0.0004297900000000, -0.0164442400000000 ] - [ -0.0000540800000000, -0.0000509800000000, 0.0000997600000000 ] - [ 0.0005983500000000, 0.0020185800000000, -0.0014982900000000 ] - [ 0.0000258200000000, -0.0003254500000000, -0.0001370800000000 ] - [ 0.0006795700000000, -0.0022709400000000, -0.0016266300000000 ] - [ 0.0000461300000000, 0.0002725300000000, -0.0001178800000000 ] - [ -0.0004015300000000, 0.0004217900000000, -0.0004428300000000 ] - [ 0.0000181800000000, -0.0001502100000000, -0.0000320700000000 ] - [ -0.0004341000000000, -0.0003846600000000, -0.0003736900000000 ] - [ -0.0000271800000000, 0.0001474800000000, -0.0000801500000000 ] - [ -0.0007417700000000, -0.0000095400000000, -0.0015229700000000 ] - [ -0.0001699700000000, -0.0000641600000000, -0.0000273000000000 ] - [ -0.0006029200000000, -0.0000743500000000, -0.0014450500000000 ] - [ -0.0000538000000000, 0.0000556800000000, 0.0000274400000000 ] - [ 0.0003499600000000, 0.0001413300000000, -0.0024952600000000 ] - [ -0.0001394600000000, -0.0000096100000000, 0.0000130800000000 ] - [ 0.0003599500000000, 0.0000974200000000, -0.0005028500000000 ] - [ 0.0003850100000000, -0.0000341700000000, -0.0005899600000000 ]- atom: 51 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0012286500000000, 0.0002493800000000, -0.0001045400000000 ] - [ 0.0005577800000000, -0.0005941200000000, 0.0006239100000000 ] - [ 0.0175442200000000, 0.0106025500000000, -0.0093004600000000 ] - [ 0.0000573800000000, -0.0004358400000000, 0.0000395300000000 ] - [ 0.0003220100000000, -0.0002731900000000, -0.0008054100000000 ] - [ 0.0000135000000000, -0.0002468400000000, -0.0002388400000000 ] - [ 0.0013849900000000, -0.0004323100000000, -0.0024640900000000 ] - [ 0.0000078800000000, -0.0004322000000000, -0.0000315500000000 ] - [ 0.0724887800000000, 0.0697202900000000, -0.0153922000000000 ] - [ -0.0000140100000000, -0.0006032200000000, -0.0000101900000000 ] - [ 0.0539931300000000, 0.0403924600000000, 0.0427815400000000 ] - [ 0.0000568300000000, -0.0003851300000000, -0.0000203600000000 ] - [ -0.0045015300000000, -0.0052061600000000, -0.0010421600000000 ] - [ -0.0001738900000000, -0.0001978700000000, -0.0000305800000000 ] - [ -0.0007387400000000, -0.0001197100000000, 0.0015206800000000 ] - [ -0.0001435400000000, -0.0007226000000000, 0.0002531100000000 ] - [ -0.0018020200000000, -0.0003539300000000, 0.0039777800000000 ] - [ -0.0000312500000000, -0.0007782000000000, 0.0000373600000000 ] - [ 0.0008840800000000, -0.0014093600000000, -0.0014890500000000 ] - [ -0.0000809100000000, -0.0000887500000000, -0.0004391000000000 ] - [ -0.0000795700000000, 0.0018365100000000, -0.0047696700000000 ] - [ -0.0000033200000000, -0.0007662800000000, -0.0000766900000000 ] - [ 0.0012055800000000, 0.0010155300000000, 0.0008459900000000 ] - [ 0.0002184500000000, -0.0006470300000000, 0.0001260300000000 ] - [ -0.0032578000000000, 0.0056893200000000, -0.0034593300000000 ] - [ 0.0000767400000000, -0.0006738000000000, -0.0000520400000000 ] - [ -0.0001023500000000, -0.0001042800000000, 0.0000174100000000 ] - [ -0.0008810100000000, 0.0001116000000000, 0.0000866700000000 ] - [ -0.0008987500000000, 0.0034021400000000, 0.0003840600000000 ] - [ -0.0000376300000000, -0.0010561700000000, 0.0001833400000000 ] - [ -0.0070359600000000, 0.0057157600000000, 0.0040842000000000 ] - [ -0.0001109500000000, -0.0008011900000000, 0.0004095800000000 ] - [ -0.0017043000000000, 0.0007572700000000, -0.0009743000000000 ] - [ -0.0002216600000000, -0.0004371700000000, 0.0000078600000000 ] - [ -0.0020636200000000, 0.0000483400000000, 0.0010331900000000 ] - [ -0.0003778500000000, -0.0006080600000000, -0.0000646400000000 ] - [ 0.0003101100000000, -0.0006774200000000, 0.0011007300000000 ] - [ 0.0000798100000000, -0.0004461500000000, 0.0003250500000000 ] - [ -0.0087697400000000, 0.0021762100000000, -0.0092081100000000 ] - [ 0.0001321800000000, -0.0004158300000000, -0.0000416500000000 ] - [ 0.0003441700000000, 0.0021635500000000, 0.0100166400000000 ] - [ 0.0000144200000000, -0.0006333200000000, -0.0003399800000000 ] - [ 0.0000874700000000, -0.0001047200000000, -0.0020406900000000 ] - [ -0.0000255500000000, -0.0005125600000000, -0.0003112500000000 ] - [ 0.0023741700000000, 0.0001548600000000, 0.0011655100000000 ] - [ 0.0012471800000000, -0.0014684300000000, -0.0010808500000000 ] - [ -0.0000536600000000, -0.0010843900000000, -0.0005076900000000 ] - [ -0.0001627200000000, 0.0003429700000000, -0.0000719500000000 ] - [ 0.0144047900000000, 0.0090426800000000, 0.0107595600000000 ] - [ 0.0001094900000000, 0.0001986500000000, -0.0000735200000000 ] - [ -0.1662697800000000, -0.1582653800000000, -0.0243420800000000 ] - [ 0.0000720000000000, 0.0004679200000000, -0.0000844600000000 ] - [ -0.0047285900000000, 0.0012636200000000, -0.0003583700000000 ] - [ -0.0005111000000000, 0.0006877900000000, -0.0001285600000000 ] - [ -0.0008447300000000, 0.0003588400000000, -0.0001036900000000 ] - [ -0.0008901800000000, 0.0031339100000000, 0.0004103100000000 ] - [ 0.0124188600000000, 0.0223061900000000, 0.0021729600000000 ] - [ 0.0000000000000000, 0.0003036200000000, -0.0000054400000000 ] - [ -0.0002039600000000, 0.0007006300000000, 0.0000964900000000 ] - [ -0.0003346900000000, -0.0009861700000000, 0.0002076500000000 ] - [ -0.0003702900000000, -0.0055389800000000, 0.0033710900000000 ] - [ -0.0001284200000000, 0.0006498900000000, 0.0002727900000000 ] - [ 0.0036290800000000, -0.0027087300000000, -0.0004075700000000 ] - [ 0.0001044700000000, 0.0002702400000000, -0.0001151300000000 ] - [ 0.0001303600000000, 0.0001350000000000, -0.0003733000000000 ] - [ 0.0024104700000000, 0.0008804300000000, -0.0016090700000000 ] - [ -0.0004542300000000, -0.0002880500000000, 0.0008500700000000 ] - [ -0.0000374700000000, 0.0000557500000000, 0.0000004700000000 ] - [ -0.0015459900000000, -0.0005069000000000, 0.0010330900000000 ] - [ -0.0000544000000000, 0.0004854000000000, 0.0001236500000000 ] - [ 0.0003804300000000, -0.0019593100000000, -0.0014355000000000 ] - [ 0.0001458600000000, 0.0005128400000000, -0.0000147200000000 ] - [ 0.0064400200000000, -0.0010190800000000, -0.0051649700000000 ] - [ -0.0000923900000000, 0.0005566100000000, -0.0002076600000000 ] - [ -0.0000355600000000, 0.0000232400000000, -0.0002648300000000 ] - [ 0.0000713900000000, 0.0004248300000000, -0.0003297200000000 ] - [ -0.0001099400000000, 0.0006823700000000, -0.0019107900000000 ] - [ -0.0000978300000000, 0.0003464500000000, -0.0001845700000000 ] - [ 0.0057327700000000, -0.0011277000000000, -0.0006081900000000 ] - [ -0.0001927200000000, 0.0002160600000000, -0.0000998400000000 ] - [ -0.0000142400000000, 0.0001735200000000, -0.0000986600000000 ] - [ -0.0000636700000000, -0.0000276300000000, 0.0002885400000000 ] - [ 0.0001325400000000, 0.0003109400000000, 0.0001494100000000 ] - [ 0.0014856200000000, -0.0004947100000000, 0.0003150400000000 ] - [ 0.0020583900000000, -0.0004902700000000, -0.0020122100000000 ] - [ 0.0002734000000000, 0.0001977300000000, 0.0000678800000000 ] - [ 0.0001375300000000, 0.0004933900000000, -0.0002780200000000 ] - [ 0.0002208500000000, 0.0002322400000000, -0.0002724700000000 ] - [ 0.0008274900000000, -0.0002588100000000, -0.0005728500000000 ] - [ 0.0001474500000000, 0.0004160000000000, 0.0001476600000000 ] - [ -0.0004233200000000, 0.0009038100000000, -0.0024453400000000 ] - [ -0.0000552800000000, 0.0003538300000000, -0.0001335900000000 ] - [ -0.0006150800000000, -0.0020563200000000, -0.0028015800000000 ] - [ 0.0000964500000000, 0.0005121300000000, 0.0001715000000000 ] - [ 0.0009847100000000, 0.0010849800000000, 0.0030203900000000 ] - [ -0.0000053300000000, 0.0001098300000000, 0.0001357100000000 ] - [ 0.0010748900000000, -0.0019238900000000, 0.0035293800000000 ] - [ 0.0000581000000000, 0.0004795400000000, -0.0000915300000000 ] - [ 0.0000575400000000, 0.0002536500000000, 0.0001686400000000 ] - [ 0.0001153700000000, 0.0000471900000000, -0.0003228300000000 ] - [ 0.0036346100000000, 0.0066827600000000, -0.0139833600000000 ] - [ -0.0001058200000000, 0.0001929400000000, 0.0001291500000000 ] - [ 0.0003818200000000, -0.0000482400000000, 0.0015012400000000 ] - [ 0.0000871500000000, 0.0004903700000000, -0.0001786000000000 ] - [ -0.0000816100000000, 0.0003722400000000, 0.0003574000000000 ] - [ -0.0000459200000000, 0.0002242800000000, 0.0003833100000000 ] - [ -0.0004065800000000, 0.0002419700000000, -0.0000937200000000 ] - [ -0.0003298900000000, 0.0000601300000000, 0.0002830500000000 ] - [ -0.0044507400000000, -0.0007700600000000, -0.0002072900000000 ] - [ -0.0000764300000000, 0.0003923000000000, 0.0000000900000000 ] - [ -0.0014173600000000, -0.0019011000000000, 0.0001848400000000 ] - [ -0.0000852500000000, 0.0005598200000000, 0.0003910500000000 ] - [ 0.0026561500000000, -0.0005271200000000, 0.0124852900000000 ] - [ -0.0001254900000000, 0.0004779200000000, 0.0000938400000000 ] - [ 0.0016927600000000, -0.0008871800000000, 0.0017604400000000 ] - [ -0.0000829200000000, 0.0002348700000000, 0.0001159100000000 ] - [ 0.0015656800000000, 0.0007800800000000, 0.0016280500000000 ] - [ 0.0001914900000000, 0.0001417000000000, 0.0000552600000000 ]- atom: 51 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0012456000000000, -0.0001988900000000, 0.0002064800000000 ] - [ -0.0005829600000000, 0.0006505100000000, -0.0005076500000000 ] - [ -0.0175541100000000, -0.0103883000000000, 0.0089090800000000 ] - [ -0.0000818700000000, 0.0003829900000000, -0.0000103600000000 ] - [ -0.0002906100000000, 0.0003246100000000, 0.0006864300000000 ] - [ 0.0000218900000000, 0.0003012500000000, 0.0001114500000000 ] - [ -0.0013651800000000, 0.0003660900000000, 0.0024742500000000 ] - [ 0.0000073800000000, 0.0003818800000000, 0.0000161900000000 ] - [ -0.0741942300000000, -0.0729646400000000, 0.0159615300000000 ] - [ -0.0003477400000000, 0.0006392500000000, -0.0000660000000000 ] - [ -0.0537940600000000, -0.0388752000000000, -0.0413462700000000 ] - [ -0.0000572100000000, 0.0007170400000000, 0.0000207300000000 ] - [ 0.0043333500000000, 0.0052339700000000, 0.0010234700000000 ] - [ -0.0000006200000000, 0.0002117100000000, 0.0000168300000000 ] - [ 0.0007411000000000, -0.0001455600000000, -0.0015180200000000 ] - [ 0.0001422900000000, 0.0004535300000000, -0.0002508800000000 ] - [ 0.0018021900000000, 0.0000233400000000, -0.0039640700000000 ] - [ 0.0000310400000000, 0.0004694300000000, -0.0000374800000000 ] - [ -0.0008948900000000, 0.0016176300000000, 0.0014939900000000 ] - [ 0.0000810400000000, 0.0002907800000000, 0.0004378500000000 ] - [ 0.0000579000000000, -0.0020894200000000, 0.0047711700000000 ] - [ 0.0000022000000000, 0.0005362900000000, 0.0000765700000000 ] - [ -0.0010556400000000, -0.0009782100000000, -0.0008331200000000 ] - [ -0.0000434700000000, 0.0006603600000000, -0.0001113700000000 ] - [ 0.0036279100000000, -0.0056583600000000, 0.0035069600000000 ] - [ 0.0002854600000000, 0.0007101200000000, 0.0001284600000000 ] - [ 0.0001012700000000, 0.0000535600000000, -0.0000167500000000 ] - [ 0.0008776600000000, -0.0001647200000000, -0.0000860200000000 ] - [ 0.0009372200000000, -0.0033774700000000, 0.0000368100000000 ] - [ 0.0000859100000000, 0.0010684600000000, 0.0002296900000000 ] - [ 0.0070711600000000, -0.0057067200000000, -0.0033619000000000 ] - [ 0.0001524000000000, 0.0007933800000000, 0.0002982200000000 ] - [ 0.0012539300000000, -0.0005199200000000, 0.0011288300000000 ] - [ -0.0002339000000000, 0.0006951200000000, 0.0001544600000000 ] - [ 0.0018675900000000, -0.0000139300000000, -0.0012161700000000 ] - [ 0.0001908400000000, 0.0006516800000000, -0.0001278600000000 ] - [ -0.0001183800000000, 0.0007150400000000, -0.0009110800000000 ] - [ 0.0001082400000000, 0.0004871300000000, -0.0001329100000000 ] - [ 0.0092482300000000, -0.0019331000000000, 0.0090908600000000 ] - [ 0.0003223100000000, 0.0006749800000000, -0.0001209900000000 ] - [ -0.0003841600000000, -0.0021791400000000, -0.0107256700000000 ] - [ -0.0000572900000000, 0.0006272200000000, -0.0003681900000000 ] - [ -0.0001362800000000, 0.0001174200000000, 0.0016223300000000 ] - [ -0.0000258700000000, 0.0005260900000000, -0.0001026300000000 ] - [ -0.0023513800000000, -0.0001075200000000, -0.0011386600000000 ] - [ -0.0012413100000000, 0.0015342600000000, 0.0010744000000000 ] - [ -0.0002175300000000, 0.0011545300000000, 0.0004773000000000 ] - [ -0.0001116400000000, -0.0002725400000000, 0.0000401900000000 ] - [ -0.0142519100000000, -0.0091880400000000, -0.0109341900000000 ] - [ 0.0001668600000000, -0.0002105100000000, -0.0000096300000000 ] - [ 0.1674417200000000, 0.1600719800000000, 0.0224722100000000 ] - [ -0.0000472800000000, -0.0003860800000000, -0.0000723400000000 ] - [ 0.0049878500000000, -0.0012530900000000, 0.0003067100000000 ] - [ 0.0007610800000000, -0.0007447700000000, 0.0000880800000000 ] - [ 0.0006261100000000, -0.0003348400000000, 0.0000893100000000 ] - [ 0.0006787600000000, -0.0031062000000000, -0.0004232400000000 ] - [ -0.0125083100000000, -0.0221129900000000, -0.0021607000000000 ] - [ -0.0001489500000000, -0.0003496800000000, 0.0000051300000000 ] - [ 0.0001278100000000, -0.0008747600000000, 0.0001030000000000 ] - [ 0.0002528700000000, 0.0008088300000000, -0.0000097200000000 ] - [ 0.0003595900000000, 0.0057296500000000, -0.0031239300000000 ] - [ 0.0000811400000000, -0.0004574500000000, -0.0000328900000000 ] - [ -0.0034939300000000, 0.0025990200000000, 0.0002030900000000 ] - [ 0.0000120900000000, -0.0003649500000000, -0.0000998500000000 ] - [ -0.0001587400000000, -0.0001068100000000, -0.0002518000000000 ] - [ -0.0024347300000000, -0.0008506100000000, 0.0009764800000000 ] - [ 0.0005034500000000, -0.0000782800000000, -0.0007889200000000 ] - [ 0.0000819200000000, -0.0004264200000000, 0.0000608800000000 ] - [ 0.0015937000000000, 0.0006456900000000, -0.0010176500000000 ] - [ 0.0000952200000000, -0.0003609900000000, -0.0001330500000000 ] - [ -0.0004097600000000, 0.0018840600000000, 0.0014769800000000 ] - [ -0.0001683200000000, -0.0005809000000000, 0.0000591100000000 ] - [ -0.0064550600000000, 0.0012211900000000, 0.0049774000000000 ] - [ 0.0000385500000000, -0.0003672700000000, 0.0000705600000000 ] - [ 0.0001141300000000, -0.0000009100000000, 0.0002166900000000 ] - [ 0.0000085100000000, -0.0004008000000000, 0.0002781900000000 ] - [ 0.0000236700000000, -0.0007434300000000, 0.0018221000000000 ] - [ 0.0000173900000000, -0.0004142700000000, 0.0000986500000000 ] - [ -0.0063553500000000, 0.0011025400000000, 0.0004835700000000 ] - [ -0.0004187100000000, -0.0002420400000000, -0.0000182000000000 ] - [ 0.0000566600000000, -0.0002068000000000, -0.0001029100000000 ] - [ 0.0001067500000000, -0.0000052200000000, -0.0004902700000000 ] - [ -0.0001751700000000, -0.0003445000000000, 0.0000526100000000 ] - [ -0.0015207500000000, 0.0004607100000000, -0.0001118000000000 ] - [ -0.0014538500000000, 0.0004682500000000, 0.0021348600000000 ] - [ 0.0003375800000000, -0.0002231000000000, 0.0000499900000000 ] - [ -0.0002188200000000, -0.0004726400000000, 0.0003266300000000 ] - [ -0.0003008600000000, -0.0002084200000000, 0.0003220000000000 ] - [ -0.0007429300000000, 0.0002002600000000, 0.0006536500000000 ] - [ -0.0000663000000000, -0.0004842000000000, -0.0000628500000000 ] - [ 0.0004475900000000, -0.0009743300000000, 0.0024041600000000 ] - [ 0.0000789700000000, -0.0004219100000000, 0.0000863300000000 ] - [ 0.0006712700000000, 0.0022552700000000, 0.0029354800000000 ] - [ -0.0000445400000000, -0.0003224400000000, -0.0000333900000000 ] - [ -0.0010331100000000, -0.0014655300000000, -0.0031028600000000 ] - [ -0.0000404100000000, -0.0004801000000000, -0.0001959700000000 ] - [ -0.0011112900000000, 0.0020666500000000, -0.0035355700000000 ] - [ -0.0000982100000000, -0.0003548100000000, 0.0001008700000000 ] - [ -0.0000298500000000, -0.0002257500000000, 0.0004572600000000 ] - [ -0.0000804600000000, -0.0000211900000000, 0.0009507200000000 ] - [ -0.0037485100000000, -0.0068341900000000, 0.0142709500000000 ] - [ -0.0000112600000000, -0.0002877300000000, 0.0000858300000000 ] - [ -0.0003333500000000, 0.0002442500000000, -0.0017428100000000 ] - [ -0.0000395700000000, -0.0002981500000000, -0.0000621700000000 ] - [ 0.0001621200000000, -0.0005483400000000, -0.0005540500000000 ] - [ 0.0001255400000000, -0.0003993000000000, -0.0005788000000000 ] - [ 0.0006153600000000, -0.0002200800000000, 0.0001003700000000 ] - [ 0.0005337900000000, -0.0000524700000000, -0.0002661300000000 ] - [ 0.0045927400000000, 0.0006843700000000, 0.0001628900000000 ] - [ 0.0002257000000000, -0.0004384300000000, 0.0000005300000000 ] - [ 0.0011588000000000, 0.0018428200000000, -0.0001476500000000 ] - [ -0.0001690100000000, -0.0006191400000000, -0.0003485200000000 ] - [ -0.0027138300000000, 0.0006253600000000, -0.0122571900000000 ] - [ 0.0000999700000000, -0.0003955600000000, 0.0000628600000000 ] - [ -0.0019699300000000, 0.0008820800000000, -0.0016706000000000 ] - [ -0.0001934900000000, -0.0002473900000000, -0.0000319600000000 ] - [ -0.0012861000000000, -0.0007093000000000, -0.0015920500000000 ] - [ 0.0000828000000000, -0.0000718500000000, -0.0000229300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019387900000000, -0.0028469200000000, -0.0041548700000000 ] - [ -0.0000808900000000, -0.0018390500000000, 0.0007711500000000 ] - [ 0.0105994000000000, 0.0242529600000000, -0.0117768900000000 ] - [ 0.0000223400000000, -0.0016972700000000, -0.0000966400000000 ] - [ 0.0001151800000000, -0.0002567200000000, 0.0010036700000000 ] - [ -0.0000578300000000, -0.0014342500000000, -0.0005509700000000 ] - [ -0.0008244100000000, 0.0045386000000000, -0.0023944300000000 ] - [ 0.0000360800000000, -0.0016391500000000, 0.0000971500000000 ] - [ 0.0702894100000000, 0.1148048700000000, -0.0192667300000000 ] - [ -0.0000207900000000, -0.0024333700000000, -0.0000310400000000 ] - [ 0.0396649900000000, 0.0703206300000000, 0.0508840400000000 ] - [ 0.0000108000000000, -0.0022372500000000, 0.0000253100000000 ] - [ -0.0045121100000000, -0.0061614200000000, -0.0009834800000000 ] - [ 0.0008154900000000, -0.0027799200000000, -0.0000295300000000 ] - [ 0.0000474100000000, -0.0007385400000000, -0.0000875700000000 ] - [ -0.0000479300000000, -0.0021829400000000, 0.0001190600000000 ] - [ -0.0007633600000000, 0.0049921500000000, 0.0007010000000000 ] - [ 0.0000026400000000, -0.0025609200000000, 0.0000104500000000 ] - [ -0.0003771800000000, -0.0007785700000000, -0.0014644200000000 ] - [ 0.0001453700000000, -0.0022786500000000, 0.0005573600000000 ] - [ 0.0012390800000000, 0.0079288600000000, 0.0026859300000000 ] - [ -0.0000320000000000, -0.0026472200000000, -0.0001211500000000 ] - [ 0.0029821100000000, -0.0041305000000000, -0.0012678400000000 ] - [ -0.0006213300000000, -0.0028550800000000, 0.0003848200000000 ] - [ 0.0015319100000000, 0.0048461300000000, 0.0019678100000000 ] - [ 0.0000417100000000, -0.0023329500000000, -0.0000321800000000 ] - [ -0.0001034900000000, -0.0001850600000000, 0.0000479300000000 ] - [ 0.0001269000000000, 0.0000779900000000, -0.0002520300000000 ] - [ 0.0028253300000000, -0.0046587600000000, 0.0004826300000000 ] - [ -0.0004981100000000, -0.0030871600000000, -0.0001011800000000 ] - [ 0.0004976100000000, 0.0050888000000000, -0.0010832800000000 ] - [ -0.0000231800000000, -0.0026187300000000, 0.0004440300000000 ] - [ -0.0011570100000000, 0.0042805600000000, -0.0007871100000000 ] - [ -0.0002507000000000, -0.0023996900000000, 0.0000630000000000 ] - [ 0.0001560500000000, 0.0008471300000000, 0.0023363500000000 ] - [ -0.0002822700000000, -0.0018562600000000, -0.0005408500000000 ] - [ 0.0001618300000000, 0.0000860600000000, -0.0005336000000000 ] - [ 0.0000571400000000, -0.0019525200000000, 0.0003907400000000 ] - [ -0.0042321200000000, 0.0046125200000000, -0.0069470900000000 ] - [ 0.0002589300000000, -0.0023881900000000, 0.0000093100000000 ] - [ 0.0005642100000000, 0.0044476500000000, 0.0078615400000000 ] - [ -0.0000121400000000, -0.0025239500000000, -0.0004527900000000 ] - [ 0.0003580200000000, 0.0002922700000000, -0.0019184000000000 ] - [ -0.0000601800000000, -0.0019973400000000, 0.0000786000000000 ] - [ 0.0071764600000000, -0.0067482200000000, 0.0088282200000000 ] - [ 0.0004093600000000, -0.0036368300000000, -0.0006663200000000 ] - [ -0.0015954800000000, 0.0012598000000000, 0.0001335500000000 ] - [ 0.0001740700000000, 0.0009843700000000, 0.0000346800000000 ] - [ 0.0117653000000000, 0.0009524300000000, 0.0072533800000000 ] - [ 0.0000647000000000, 0.0010176100000000, -0.0000847200000000 ] - [ -0.1577940000000000, -0.2478336300000000, -0.0176317000000000 ] - [ 0.0004393000000000, 0.0017596300000000, -0.0000399400000000 ] - [ -0.0027384800000000, 0.0230056900000000, -0.0042950500000000 ] - [ -0.0006556000000000, 0.0019999800000000, -0.0002503900000000 ] - [ -0.0036243200000000, 0.0037508500000000, -0.0001097400000000 ] - [ -0.0008098100000000, 0.0036490300000000, 0.0003368600000000 ] - [ 0.0225813300000000, 0.0198112700000000, 0.0026426000000000 ] - [ 0.0003124100000000, 0.0018543700000000, 0.0000116500000000 ] - [ 0.0009056200000000, 0.0018144900000000, 0.0009381100000000 ] - [ -0.0000067000000000, 0.0020550400000000, -0.0006849400000000 ] - [ -0.0062293100000000, 0.0046418200000000, -0.0083899800000000 ] - [ -0.0002819700000000, 0.0019245000000000, 0.0006578000000000 ] - [ -0.0011821700000000, -0.0020164800000000, -0.0002007000000000 ] - [ 0.0001148700000000, 0.0009724200000000, -0.0001403200000000 ] - [ -0.0002713000000000, 0.0007706700000000, -0.0000087700000000 ] - [ 0.0021219700000000, 0.0009490400000000, -0.0020841600000000 ] - [ 0.0001476800000000, -0.0010302200000000, 0.0020724500000000 ] - [ 0.0002630300000000, 0.0014781100000000, -0.0005489000000000 ] - [ 0.0007437400000000, -0.0052339900000000, -0.0003473200000000 ] - [ -0.0002279200000000, 0.0017930200000000, 0.0004709500000000 ] - [ -0.0012911100000000, -0.0010069700000000, 0.0005210500000000 ] - [ 0.0003668100000000, 0.0015939600000000, 0.0002315700000000 ] - [ 0.0010526300000000, -0.0052929600000000, 0.0004628000000000 ] - [ -0.0003339600000000, 0.0017880800000000, -0.0004857400000000 ] - [ -0.0000242900000000, 0.0009538700000000, 0.0004816000000000 ] - [ 0.0002311600000000, 0.0008777600000000, -0.0000045600000000 ] - [ 0.0008816500000000, -0.0016266500000000, -0.0011544200000000 ] - [ -0.0002796600000000, 0.0015211300000000, -0.0004522900000000 ] - [ 0.0019496200000000, -0.0015537100000000, 0.0006260200000000 ] - [ -0.0002825500000000, 0.0008729400000000, -0.0000872700000000 ] - [ 0.0000020700000000, 0.0006853400000000, -0.0001348000000000 ] - [ 0.0000272900000000, -0.0000898000000000, 0.0000995100000000 ] - [ 0.0003682300000000, 0.0008051900000000, 0.0003065000000000 ] - [ -0.0016281600000000, 0.0004376800000000, -0.0006796800000000 ] - [ 0.0015323200000000, -0.0014257800000000, -0.0015466500000000 ] - [ 0.0003083300000000, 0.0008656000000000, 0.0000656600000000 ] - [ -0.0001143200000000, 0.0009028800000000, -0.0003215700000000 ] - [ -0.0002343200000000, 0.0008542000000000, -0.0005193000000000 ] - [ -0.0002390000000000, -0.0022645300000000, -0.0002126300000000 ] - [ 0.0003052400000000, 0.0015190000000000, 0.0004829900000000 ] - [ 0.0000186400000000, -0.0003842800000000, -0.0013880100000000 ] - [ -0.0003109300000000, 0.0015210500000000, -0.0003038300000000 ] - [ -0.0010872900000000, -0.0042845800000000, -0.0017837800000000 ] - [ 0.0003274200000000, 0.0017618600000000, 0.0004802100000000 ] - [ 0.0007056300000000, -0.0003928300000000, 0.0013671300000000 ] - [ -0.0002679300000000, 0.0013828300000000, 0.0003434500000000 ] - [ -0.0002776300000000, -0.0043783200000000, 0.0022360300000000 ] - [ 0.0002288800000000, 0.0017740800000000, -0.0004456000000000 ] - [ 0.0002668400000000, 0.0007715600000000, -0.0000170000000000 ] - [ -0.0008674700000000, 0.0003610200000000, 0.0013205600000000 ] - [ 0.0061118500000000, 0.0003268100000000, -0.0114289400000000 ] - [ -0.0001172100000000, 0.0009562800000000, 0.0001841600000000 ] - [ -0.0001964400000000, -0.0020300200000000, 0.0001002700000000 ] - [ 0.0002832500000000, 0.0016090100000000, -0.0005321800000000 ] - [ -0.0002612300000000, 0.0009040700000000, 0.0000927500000000 ] - [ -0.0001012200000000, 0.0006643400000000, 0.0003152500000000 ] - [ 0.0003713000000000, 0.0026967100000000, -0.0025324700000000 ] - [ 0.0004586500000000, 0.0021869400000000, 0.0001909100000000 ] - [ 0.0002352000000000, 0.0033825400000000, 0.0098832100000000 ] - [ -0.0003609100000000, 0.0018061300000000, -0.0000520800000000 ] - [ -0.0022733100000000, -0.0010970600000000, -0.0024371800000000 ] - [ 0.0004978100000000, 0.0018448000000000, 0.0005146600000000 ] - [ 0.0005304200000000, -0.0082306100000000, 0.0004538700000000 ] - [ -0.0004491800000000, 0.0017119000000000, 0.0000275400000000 ] - [ 0.0001851600000000, -0.0016141900000000, 0.0000668200000000 ] - [ -0.0000897900000000, 0.0009698700000000, 0.0000611400000000 ] - [ 0.0015968000000000, 0.0007707500000000, 0.0019509300000000 ] - [ -0.0000897500000000, 0.0007284800000000, -0.0002916800000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019817300000000, 0.0029048100000000, 0.0043028500000000 ] - [ 0.0000555200000000, 0.0018889400000000, -0.0006538600000000 ] - [ -0.0102485300000000, -0.0240950600000000, 0.0111400400000000 ] - [ -0.0000477000000000, 0.0016550500000000, 0.0001304200000000 ] - [ -0.0000815300000000, 0.0002917400000000, -0.0011388400000000 ] - [ 0.0000914400000000, 0.0014795300000000, 0.0004230000000000 ] - [ 0.0008278200000000, -0.0045596500000000, 0.0023957800000000 ] - [ -0.0000202100000000, 0.0015992500000000, -0.0001172300000000 ] - [ -0.0753953800000000, -0.1195566700000000, 0.0204279700000000 ] - [ -0.0003385700000000, 0.0024668200000000, -0.0000530800000000 ] - [ -0.0380857000000000, -0.0689822900000000, -0.0486064300000000 ] - [ -0.0000112800000000, 0.0025861600000000, -0.0000253500000000 ] - [ 0.0043455300000000, 0.0061828800000000, 0.0009635300000000 ] - [ -0.0009960900000000, 0.0028071300000000, 0.0000103000000000 ] - [ -0.0000487000000000, 0.0004366700000000, 0.0000892400000000 ] - [ 0.0000478800000000, 0.0018952400000000, -0.0001174500000000 ] - [ 0.0007684300000000, -0.0052658500000000, -0.0007097800000000 ] - [ -0.0000029500000000, 0.0022700500000000, -0.0000106500000000 ] - [ 0.0003814500000000, 0.0009456400000000, 0.0014730700000000 ] - [ -0.0001449700000000, 0.0024608900000000, -0.0005564400000000 ] - [ -0.0012521700000000, -0.0081191900000000, -0.0026878300000000 ] - [ 0.0000315800000000, 0.0024360200000000, 0.0001219900000000 ] - [ -0.0028081300000000, 0.0041513700000000, 0.0012752400000000 ] - [ 0.0008012900000000, 0.0028820100000000, -0.0003685400000000 ] - [ -0.0011574400000000, -0.0048818500000000, -0.0018872400000000 ] - [ 0.0003182500000000, 0.0023664300000000, 0.0001162400000000 ] - [ 0.0001038100000000, 0.0001333800000000, -0.0000473200000000 ] - [ -0.0001281600000000, -0.0001286100000000, 0.0002515600000000 ] - [ -0.0027750400000000, 0.0046784700000000, -0.0000746900000000 ] - [ 0.0005485600000000, 0.0031122300000000, 0.0005050200000000 ] - [ -0.0004500600000000, -0.0051448500000000, 0.0017603700000000 ] - [ 0.0000573100000000, 0.0026054700000000, 0.0002447500000000 ] - [ 0.0007046700000000, -0.0040676600000000, 0.0009752500000000 ] - [ -0.0002078600000000, 0.0026528100000000, 0.0001168700000000 ] - [ -0.0003413600000000, -0.0007923800000000, -0.0025200100000000 ] - [ 0.0001006500000000, 0.0018990700000000, 0.0003521400000000 ] - [ 0.0000223000000000, -0.0000303200000000, 0.0007247900000000 ] - [ 0.0001267200000000, 0.0019959500000000, -0.0002001400000000 ] - [ 0.0046963500000000, -0.0043753000000000, 0.0067711300000000 ] - [ 0.0001992000000000, 0.0026420900000000, -0.0001892900000000 ] - [ -0.0005983500000000, -0.0044755700000000, -0.0085388900000000 ] - [ -0.0000227600000000, 0.0025119000000000, -0.0002366300000000 ] - [ -0.0004010300000000, -0.0002612800000000, 0.0015079200000000 ] - [ 0.0000141800000000, 0.0020144700000000, -0.0004825200000000 ] - [ -0.0072348800000000, 0.0068138700000000, -0.0089004200000000 ] - [ -0.0004063600000000, 0.0036798500000000, 0.0006621100000000 ] - [ 0.0013050600000000, -0.0011861600000000, -0.0001448500000000 ] - [ -0.0004631800000000, -0.0009136900000000, -0.0000467500000000 ] - [ -0.0115523900000000, -0.0009413000000000, -0.0073280300000000 ] - [ 0.0002146600000000, -0.0010249600000000, 0.0000268100000000 ] - [ 0.1605341800000000, 0.2515867100000000, 0.0146181300000000 ] - [ -0.0004184000000000, -0.0016908200000000, -0.0001223300000000 ] - [ 0.0030004000000000, -0.0234286200000000, 0.0042937100000000 ] - [ 0.0009105300000000, -0.0020552600000000, 0.0002113000000000 ] - [ 0.0034447400000000, -0.0037565300000000, 0.0000907400000000 ] - [ 0.0005976500000000, -0.0036284900000000, -0.0003567300000000 ] - [ -0.0224095400000000, -0.0196674800000000, -0.0026187700000000 ] - [ -0.0004608300000000, -0.0019075800000000, -0.0000150500000000 ] - [ -0.0009872100000000, -0.0019896200000000, -0.0007539900000000 ] - [ -0.0000679900000000, -0.0022288200000000, 0.0008789800000000 ] - [ 0.0061326000000000, -0.0044221600000000, 0.0085373200000000 ] - [ 0.0002337900000000, -0.0017308400000000, -0.0004241600000000 ] - [ 0.0013028700000000, 0.0019454600000000, 0.0000081400000000 ] - [ 0.0000151900000000, -0.0010636000000000, -0.0000583400000000 ] - [ 0.0002430000000000, -0.0007423300000000, -0.0006274300000000 ] - [ -0.0021416100000000, -0.0009167100000000, 0.0014418200000000 ] - [ -0.0000990700000000, 0.0006762100000000, -0.0020276200000000 ] - [ -0.0002153300000000, -0.0018474300000000, 0.0006099700000000 ] - [ -0.0006964000000000, 0.0053704600000000, 0.0003722200000000 ] - [ 0.0002688400000000, -0.0016719000000000, -0.0004828200000000 ] - [ 0.0012750500000000, 0.0009568600000000, -0.0004714200000000 ] - [ -0.0003930900000000, -0.0016613100000000, -0.0001837700000000 ] - [ -0.0011431500000000, 0.0054780800000000, -0.0005781300000000 ] - [ 0.0002850300000000, -0.0016049000000000, 0.0003473200000000 ] - [ 0.0001035900000000, -0.0009221500000000, -0.0005271600000000 ] - [ -0.0001543800000000, -0.0008548500000000, -0.0000425000000000 ] - [ -0.0009598700000000, 0.0015497400000000, 0.0010704000000000 ] - [ 0.0002017900000000, -0.0015869800000000, 0.0003651100000000 ] - [ -0.0025766400000000, 0.0015367600000000, -0.0007444900000000 ] - [ -0.0003298300000000, -0.0008988100000000, -0.0000319500000000 ] - [ 0.0000400400000000, -0.0007161000000000, -0.0000642000000000 ] - [ 0.0000147000000000, 0.0000547600000000, -0.0002962500000000 ] - [ -0.0004142300000000, -0.0008363900000000, -0.0001085200000000 ] - [ 0.0015843800000000, -0.0004704500000000, 0.0008774600000000 ] - [ -0.0009244400000000, 0.0014081300000000, 0.0016680800000000 ] - [ 0.0003037500000000, -0.0008909700000000, 0.0000532400000000 ] - [ 0.0000351600000000, -0.0008706500000000, 0.0003666700000000 ] - [ 0.0001569900000000, -0.0008303200000000, 0.0005635600000000 ] - [ 0.0003160200000000, 0.0021902700000000, 0.0002966900000000 ] - [ -0.0002259900000000, -0.0015849700000000, -0.0003976200000000 ] - [ 0.0000040800000000, 0.0003300200000000, 0.0013349600000000 ] - [ 0.0003398000000000, -0.0015890500000000, 0.0002531600000000 ] - [ 0.0011398500000000, 0.0044719000000000, 0.0019258600000000 ] - [ -0.0002803200000000, -0.0015784000000000, -0.0003404300000000 ] - [ -0.0007581200000000, 0.0000337700000000, -0.0014271500000000 ] - [ 0.0002185400000000, -0.0017526800000000, -0.0004052100000000 ] - [ 0.0002387000000000, 0.0045076400000000, -0.0022385000000000 ] - [ -0.0002679100000000, -0.0016533600000000, 0.0004576600000000 ] - [ -0.0002381300000000, -0.0007436800000000, 0.0006532100000000 ] - [ 0.0008979000000000, -0.0003357900000000, -0.0006840500000000 ] - [ -0.0062731400000000, -0.0003797000000000, 0.0116524400000000 ] - [ -0.0000121000000000, -0.0010477800000000, 0.0000155500000000 ] - [ 0.0002414500000000, 0.0022123000000000, -0.0003407000000000 ] - [ -0.0002341400000000, -0.0014126500000000, 0.0002966700000000 ] - [ 0.0003369300000000, -0.0010734500000000, -0.0002840000000000 ] - [ 0.0001753600000000, -0.0008411400000000, -0.0005084800000000 ] - [ -0.0001617100000000, -0.0026936500000000, 0.0025776700000000 ] - [ -0.0002520300000000, -0.0021773900000000, -0.0001685300000000 ] - [ -0.0000731500000000, -0.0034484200000000, -0.0098178100000000 ] - [ 0.0005103400000000, -0.0018585100000000, 0.0000550100000000 ] - [ 0.0020382600000000, 0.0010641500000000, 0.0024976200000000 ] - [ -0.0007536700000000, -0.0019008900000000, -0.0004726300000000 ] - [ -0.0006174200000000, 0.0082961000000000, -0.0003924300000000 ] - [ 0.0004280200000000, -0.0016426700000000, 0.0001346500000000 ] - [ -0.0004728600000000, 0.0016246100000000, -0.0000142400000000 ] - [ -0.0001895600000000, -0.0009778700000000, -0.0000040500000000 ] - [ -0.0013049500000000, -0.0006968500000000, -0.0019267900000000 ] - [ 0.0003775400000000, -0.0006565400000000, 0.0003067900000000 ]- atom: 51 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0003336800000000, -0.0016493900000000, 0.0005841200000000 ] - [ -0.0000028700000000, 0.0005785600000000, 0.0000165300000000 ] - [ -0.0187848500000000, -0.0164210400000000, 0.0315520100000000 ] - [ -0.0000165100000000, 0.0001333100000000, 0.0000385100000000 ] - [ -0.0006515900000000, 0.0007379700000000, -0.0005809800000000 ] - [ -0.0001787300000000, -0.0001360400000000, -0.0004114800000000 ] - [ -0.0010597800000000, -0.0006051700000000, -0.0040406100000000 ] - [ -0.0000236800000000, 0.0001486200000000, -0.0000481200000000 ] - [ -0.0500039400000000, -0.0524916100000000, 0.0311558300000000 ] - [ -0.0001882400000000, 0.0002446800000000, 0.0000508900000000 ] - [ 0.0117779300000000, 0.0261081800000000, 0.0558228800000000 ] - [ -0.0000446500000000, 0.0004183400000000, 0.0000493200000000 ] - [ 0.0014838400000000, 0.0021845600000000, 0.0007811200000000 ] - [ -0.0001478800000000, 0.0001455600000000, 0.0000826300000000 ] - [ 0.0008532700000000, -0.0000693400000000, -0.0021985100000000 ] - [ 0.0002495300000000, 0.0002407000000000, -0.0002436500000000 ] - [ 0.0031552500000000, 0.0005306800000000, -0.0054833800000000 ] - [ 0.0000263500000000, 0.0000906700000000, -0.0000441100000000 ] - [ -0.0009669200000000, -0.0003924800000000, 0.0001910700000000 ] - [ -0.0001588400000000, 0.0006141100000000, -0.0003571300000000 ] - [ -0.0050675600000000, 0.0009762900000000, -0.0030106600000000 ] - [ -0.0000107800000000, 0.0001369700000000, 0.0000057600000000 ] - [ 0.0030690500000000, -0.0046630700000000, 0.0008032000000000 ] - [ 0.0001621700000000, 0.0006305500000000, 0.0000215300000000 ] - [ -0.0038222800000000, 0.0028532300000000, 0.0025852300000000 ] - [ 0.0001241100000000, 0.0002174800000000, 0.0000614600000000 ] - [ 0.0000657700000000, 0.0000265500000000, 0.0000282200000000 ] - [ 0.0004795000000000, -0.0001344600000000, 0.0001024800000000 ] - [ -0.0020457400000000, 0.0026175700000000, 0.0037339400000000 ] - [ -0.0000794300000000, 0.0001570900000000, 0.0004655000000000 ] - [ 0.0055272100000000, -0.0056043600000000, 0.0015197900000000 ] - [ 0.0000681500000000, 0.0003728400000000, 0.0003942600000000 ] - [ 0.0024929200000000, -0.0052692100000000, -0.0055456500000000 ] - [ -0.0001904100000000, 0.0004963400000000, -0.0000253400000000 ] - [ -0.0000855800000000, -0.0000050000000000, -0.0011222500000000 ] - [ -0.0000547900000000, 0.0002461100000000, -0.0001725500000000 ] - [ 0.0007292100000000, 0.0017767800000000, -0.0022380400000000 ] - [ 0.0002488800000000, 0.0001055700000000, -0.0002474800000000 ] - [ 0.0019093100000000, -0.0008178100000000, 0.0006358100000000 ] - [ 0.0002193200000000, 0.0004477200000000, -0.0000539500000000 ] - [ 0.0020659100000000, -0.0007173100000000, -0.0149473300000000 ] - [ 0.0000435200000000, 0.0001937200000000, -0.0004222400000000 ] - [ -0.0010216000000000, -0.0001813200000000, -0.0001910700000000 ] - [ -0.0000463900000000, 0.0001597900000000, -0.0003159100000000 ] - [ -0.0007522600000000, 0.0014264200000000, 0.0010569300000000 ] - [ -0.0011442600000000, 0.0000877300000000, 0.0012612300000000 ] - [ -0.0005088500000000, 0.0006739700000000, -0.0018011800000000 ] - [ -0.0001358900000000, -0.0001123200000000, -0.0001881200000000 ] - [ 0.0002943800000000, -0.0004797200000000, -0.0050241000000000 ] - [ 0.0001348300000000, -0.0001316900000000, -0.0000707000000000 ] - [ 0.0616981800000000, 0.0642012800000000, -0.1326391600000000 ] - [ -0.0000248400000000, -0.0001316700000000, -0.0001123800000000 ] - [ 0.0023218600000000, 0.0000440300000000, -0.0046777400000000 ] - [ 0.0003667600000000, -0.0002315600000000, -0.0003035900000000 ] - [ 0.0002615100000000, -0.0002611900000000, -0.0003812400000000 ] - [ 0.0004080600000000, -0.0014679300000000, -0.0004968200000000 ] - [ -0.0066683700000000, -0.0114193700000000, -0.0069559600000000 ] - [ -0.0000920700000000, -0.0001804700000000, -0.0000315900000000 ] - [ 0.0000580800000000, 0.0000072300000000, -0.0001933200000000 ] - [ 0.0001152300000000, -0.0011489600000000, -0.0000183600000000 ] - [ 0.0051824500000000, -0.0057916000000000, 0.0011198000000000 ] - [ 0.0000224800000000, -0.0000543400000000, 0.0000446100000000 ] - [ -0.0008615700000000, 0.0009045100000000, -0.0028186300000000 ] - [ 0.0000711000000000, -0.0001721200000000, -0.0001534500000000 ] - [ -0.0000565700000000, -0.0000072300000000, -0.0003054100000000 ] - [ -0.0009027700000000, -0.0003988400000000, 0.0001200200000000 ] - [ 0.0003518300000000, 0.0012780000000000, 0.0007964500000000 ] - [ -0.0000113100000000, -0.0005057300000000, 0.0001780700000000 ] - [ 0.0020796100000000, 0.0020930100000000, 0.0091556600000000 ] - [ 0.0000484100000000, -0.0001382800000000, -0.0000457300000000 ] - [ -0.0007096200000000, 0.0019395000000000, 0.0009881200000000 ] - [ -0.0001137700000000, -0.0003297900000000, -0.0000035100000000 ] - [ -0.0085439800000000, 0.0007079100000000, 0.0042701700000000 ] - [ -0.0000018900000000, -0.0001064700000000, -0.0000133100000000 ] - [ -0.0001045900000000, 0.0002269400000000, 0.0003616700000000 ] - [ -0.0001989300000000, -0.0005549300000000, 0.0003180900000000 ] - [ -0.0012294000000000, -0.0018344900000000, 0.0024883200000000 ] - [ -0.0000464800000000, -0.0001637000000000, 0.0000472500000000 ] - [ -0.0026349300000000, 0.0009361300000000, 0.0003335700000000 ] - [ -0.0003208300000000, -0.0001243700000000, -0.0000469500000000 ] - [ 0.0000160300000000, -0.0000302600000000, -0.0000323000000000 ] - [ 0.0002334100000000, -0.0003516200000000, 0.0003731500000000 ] - [ 0.0000104600000000, -0.0000888600000000, 0.0000840500000000 ] - [ 0.0010283600000000, -0.0005393900000000, 0.0000069800000000 ] - [ -0.0041982700000000, 0.0009104500000000, 0.0041338900000000 ] - [ 0.0002342100000000, -0.0001145500000000, 0.0000944600000000 ] - [ -0.0000277300000000, -0.0003516500000000, 0.0004728400000000 ] - [ -0.0000495400000000, -0.0001666400000000, 0.0005041400000000 ] - [ -0.0006425400000000, 0.0000896100000000, 0.0015956200000000 ] - [ 0.0000156700000000, -0.0002225800000000, 0.0000266600000000 ] - [ 0.0003668100000000, -0.0017602800000000, 0.0033839400000000 ] - [ -0.0000312600000000, -0.0001477500000000, 0.0001378800000000 ] - [ -0.0006703300000000, 0.0017613000000000, 0.0046313300000000 ] - [ -0.0000091900000000, -0.0000616700000000, 0.0000481400000000 ] - [ -0.0000532700000000, -0.0001520800000000, -0.0001855700000000 ] - [ 0.0000592600000000, -0.0004101000000000, -0.0000254100000000 ] - [ 0.0010919000000000, 0.0007658600000000, 0.0004235100000000 ] - [ -0.0000451500000000, -0.0001287800000000, 0.0000564400000000 ] - [ -0.0001288200000000, -0.0001847100000000, 0.0005051200000000 ] - [ -0.0014534300000000, 0.0003280300000000, 0.0017073800000000 ] - [ -0.0099676000000000, -0.0108891800000000, 0.0158224100000000 ] - [ -0.0000700000000000, -0.0001077400000000, 0.0000938700000000 ] - [ 0.0015634300000000, 0.0002759400000000, 0.0012368800000000 ] - [ 0.0000141000000000, -0.0000487000000000, -0.0000742800000000 ] - [ 0.0002867700000000, -0.0001001500000000, 0.0000492100000000 ] - [ 0.0003528300000000, -0.0001523000000000, -0.0000160400000000 ] - [ 0.0001997000000000, -0.0004577600000000, -0.0003245100000000 ] - [ 0.0005274800000000, 0.0016165600000000, -0.0005144800000000 ] - [ 0.0018612600000000, 0.0087503700000000, 0.0052961800000000 ] - [ 0.0001497700000000, -0.0002951200000000, 0.0000067000000000 ] - [ 0.0007165400000000, -0.0008753400000000, -0.0004216000000000 ] - [ 0.0001187400000000, -0.0000332900000000, -0.0001328300000000 ] - [ 0.0094334900000000, -0.0000423000000000, 0.0042297500000000 ] - [ 0.0000589300000000, -0.0001256600000000, 0.0000843500000000 ] - [ 0.0012877900000000, 0.0005081700000000, 0.0020330500000000 ] - [ -0.0001087700000000, -0.0001184600000000, 0.0000829200000000 ] - [ -0.0004088400000000, -0.0002325600000000, -0.0006908400000000 ] - [ 0.0001216700000000, -0.0000296800000000, 0.0000566600000000 ]- atom: 51 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0003202800000000, 0.0017171500000000, -0.0004889500000000 ] - [ -0.0000206600000000, -0.0005155400000000, 0.0000961700000000 ] - [ 0.0198653400000000, 0.0179463800000000, -0.0335901100000000 ] - [ -0.0000075300000000, -0.0002034500000000, -0.0000063200000000 ] - [ 0.0006745700000000, -0.0006787000000000, 0.0004573800000000 ] - [ 0.0002093800000000, 0.0001966000000000, 0.0002798700000000 ] - [ 0.0010573500000000, 0.0005406700000000, 0.0040324800000000 ] - [ 0.0000393500000000, -0.0002151600000000, 0.0000335200000000 ] - [ 0.0490427500000000, 0.0512334200000000, -0.0317081300000000 ] - [ -0.0001832800000000, -0.0001993600000000, -0.0001156500000000 ] - [ -0.0110549200000000, -0.0252689400000000, -0.0557581400000000 ] - [ 0.0000439900000000, -0.0001113900000000, -0.0000483900000000 ] - [ -0.0016420900000000, -0.0021471300000000, -0.0007895600000000 ] - [ -0.0000326100000000, -0.0001415800000000, -0.0000937400000000 ] - [ -0.0008549700000000, -0.0001620400000000, 0.0021955000000000 ] - [ -0.0002510400000000, -0.0004838400000000, 0.0002434200000000 ] - [ -0.0031680200000000, -0.0008927700000000, 0.0054937600000000 ] - [ -0.0000269200000000, -0.0004275500000000, 0.0000439100000000 ] - [ 0.0009741600000000, 0.0006197000000000, -0.0001976900000000 ] - [ 0.0001592400000000, -0.0003890000000000, 0.0003558600000000 ] - [ 0.0050942700000000, -0.0012554600000000, 0.0030027000000000 ] - [ 0.0000100200000000, -0.0003930800000000, -0.0000060000000000 ] - [ -0.0028905500000000, 0.0046661000000000, -0.0007777400000000 ] - [ 0.0000188300000000, -0.0006251600000000, -0.0000069600000000 ] - [ 0.0042265700000000, -0.0028273200000000, -0.0025097000000000 ] - [ 0.0002472400000000, -0.0001719600000000, 0.0000050400000000 ] - [ -0.0000664800000000, -0.0000769000000000, -0.0000269100000000 ] - [ -0.0004791800000000, 0.0000838000000000, -0.0000994300000000 ] - [ 0.0020937000000000, -0.0026048500000000, -0.0033078000000000 ] - [ 0.0001335500000000, -0.0001597000000000, -0.0000404200000000 ] - [ -0.0055082500000000, 0.0056390800000000, -0.0008107500000000 ] - [ -0.0000133000000000, -0.0003713600000000, 0.0003458200000000 ] - [ -0.0029289700000000, 0.0055625400000000, 0.0056949000000000 ] - [ -0.0002619900000000, -0.0002320600000000, 0.0001560800000000 ] - [ -0.0001129800000000, 0.0000268400000000, 0.0009328700000000 ] - [ -0.0001397000000000, -0.0002132600000000, -0.0000142800000000 ] - [ -0.0005265400000000, -0.0017625500000000, 0.0024218600000000 ] - [ -0.0000544200000000, -0.0000717200000000, 0.0004335100000000 ] - [ -0.0014874700000000, 0.0010882400000000, -0.0007965400000000 ] - [ 0.0002322400000000, -0.0001825900000000, -0.0000767200000000 ] - [ -0.0021292700000000, 0.0007194400000000, 0.0141643400000000 ] - [ -0.0000990600000000, -0.0001922800000000, -0.0003179900000000 ] - [ 0.0009657000000000, 0.0001809400000000, -0.0002280000000000 ] - [ -0.0000093600000000, -0.0001581200000000, -0.0001085800000000 ] - [ 0.0007724000000000, -0.0013559700000000, -0.0010195800000000 ] - [ 0.0011396900000000, 0.0000067400000000, -0.0012562200000000 ] - [ 0.0002459300000000, -0.0006046300000000, 0.0017436800000000 ] - [ -0.0001303500000000, 0.0001833900000000, 0.0001353900000000 ] - [ 0.0000292900000000, 0.0004914300000000, 0.0049605800000000 ] - [ 0.0001374500000000, 0.0001184400000000, -0.0000178600000000 ] - [ -0.0628732000000000, -0.0649534200000000, 0.1348788300000000 ] - [ 0.0000492800000000, 0.0002193600000000, -0.0000452300000000 ] - [ -0.0020748300000000, -0.0000156200000000, 0.0046187700000000 ] - [ -0.0001173600000000, 0.0001705600000000, 0.0002554700000000 ] - [ -0.0004787000000000, 0.0002879200000000, 0.0003684400000000 ] - [ -0.0006098000000000, 0.0014760200000000, 0.0004799200000000 ] - [ 0.0064721900000000, 0.0113490800000000, 0.0069870700000000 ] - [ -0.0000527600000000, 0.0001389900000000, 0.0000294400000000 ] - [ -0.0001405300000000, -0.0001787300000000, 0.0003986600000000 ] - [ -0.0001991000000000, 0.0009735900000000, 0.0002203700000000 ] - [ -0.0052377400000000, 0.0059874100000000, -0.0008400900000000 ] - [ -0.0000693600000000, 0.0002485800000000, 0.0002034200000000 ] - [ 0.0009660800000000, -0.0010021800000000, 0.0026123100000000 ] - [ 0.0000416600000000, 0.0000754800000000, -0.0000705100000000 ] - [ 0.0000332000000000, 0.0000374700000000, -0.0003134100000000 ] - [ 0.0008690500000000, 0.0004269800000000, -0.0007359800000000 ] - [ -0.0003176800000000, -0.0016660100000000, -0.0007304100000000 ] - [ 0.0000541600000000, 0.0001316200000000, -0.0001151800000000 ] - [ -0.0020690600000000, -0.0019592200000000, -0.0092405100000000 ] - [ -0.0000069000000000, 0.0002689100000000, 0.0000396200000000 ] - [ 0.0006894700000000, -0.0020258300000000, -0.0009445000000000 ] - [ 0.0000916400000000, 0.0002557700000000, 0.0000442600000000 ] - [ 0.0085771300000000, -0.0005040200000000, -0.0044437500000000 ] - [ -0.0000579300000000, 0.0003045700000000, -0.0001242600000000 ] - [ 0.0001832000000000, -0.0002105700000000, -0.0004124200000000 ] - [ 0.0002790400000000, 0.0005807000000000, -0.0003681800000000 ] - [ 0.0011451200000000, 0.0017910200000000, -0.0025831100000000 ] - [ -0.0000392800000000, 0.0001000700000000, -0.0001334600000000 ] - [ 0.0020493600000000, -0.0009703100000000, -0.0004478900000000 ] - [ -0.0002884200000000, 0.0000979800000000, -0.0000703700000000 ] - [ 0.0000275900000000, -0.0000022100000000, -0.0001722400000000 ] - [ -0.0001938500000000, 0.0003224600000000, -0.0005795200000000 ] - [ -0.0000548800000000, 0.0000577400000000, 0.0001216400000000 ] - [ -0.0010725800000000, 0.0005085000000000, 0.0001997200000000 ] - [ 0.0047978800000000, -0.0009390600000000, -0.0040067500000000 ] - [ 0.0003740300000000, 0.0000890300000000, 0.0000234100000000 ] - [ -0.0000503500000000, 0.0003682600000000, -0.0004194600000000 ] - [ -0.0000315700000000, 0.0001888000000000, -0.0004484100000000 ] - [ 0.0007368100000000, -0.0001412200000000, -0.0015068700000000 ] - [ 0.0000708600000000, 0.0001598000000000, 0.0000599700000000 ] - [ -0.0003325000000000, 0.0016722800000000, -0.0034099000000000 ] - [ 0.0000533700000000, 0.0000752000000000, -0.0001789200000000 ] - [ 0.0007390100000000, -0.0015565700000000, -0.0044898300000000 ] - [ 0.0000674800000000, 0.0002605900000000, 0.0000913500000000 ] - [ 0.0000118300000000, -0.0002198000000000, 0.0001323500000000 ] - [ -0.0001030300000000, 0.0000365900000000, -0.0000349400000000 ] - [ -0.0011346900000000, -0.0006363900000000, -0.0004141600000000 ] - [ 0.0000034500000000, 0.0002602300000000, -0.0000502700000000 ] - [ 0.0001517100000000, 0.0002132200000000, 0.0001149700000000 ] - [ 0.0014786600000000, -0.0002945000000000, -0.0010873500000000 ] - [ 0.0097252900000000, 0.0106322900000000, -0.0154738100000000 ] - [ -0.0000435500000000, 0.0000116200000000, 0.0001299700000000 ] - [ -0.0015209800000000, -0.0000823900000000, -0.0014881800000000 ] - [ 0.0000323900000000, 0.0002420100000000, -0.0001737900000000 ] - [ -0.0002066400000000, -0.0000732100000000, -0.0002474800000000 ] - [ -0.0002696300000000, -0.0000213800000000, -0.0001834600000000 ] - [ 0.0000067200000000, 0.0004786900000000, 0.0003282500000000 ] - [ -0.0003238600000000, -0.0015966200000000, 0.0005259700000000 ] - [ -0.0016878000000000, -0.0087352500000000, -0.0052704300000000 ] - [ -0.0000044700000000, 0.0002529500000000, -0.0000030900000000 ] - [ -0.0009703600000000, 0.0008161400000000, 0.0004600900000000 ] - [ -0.0003682300000000, -0.0000290300000000, 0.0001790000000000 ] - [ -0.0094200800000000, 0.0001274300000000, -0.0041155200000000 ] - [ -0.0000841400000000, 0.0002137500000000, 0.0000735400000000 ] - [ -0.0015763700000000, -0.0005267000000000, -0.0019548100000000 ] - [ -0.0001637200000000, 0.0001048500000000, 0.0000074900000000 ] - [ 0.0006698200000000, 0.0003001700000000, 0.0007392500000000 ] - [ 0.0001450500000000, 0.0001000500000000, -0.0000055800000000 ]- atom: 53 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0149676400000000, -0.0083233700000000, -0.0049124700000000 ] - [ 0.0000617200000000, 0.0005223200000000, 0.0000730500000000 ] - [ 0.0010797300000000, 0.0002707100000000, -0.0005315000000000 ] - [ 0.0006690200000000, 0.0006774900000000, 0.0007717400000000 ] - [ 0.0020811800000000, 0.0006771400000000, -0.0032636200000000 ] - [ 0.0000107300000000, 0.0005100500000000, -0.0000792400000000 ] - [ 0.0004245200000000, 0.0002143100000000, -0.0006913000000000 ] - [ 0.0000237400000000, 0.0003116200000000, -0.0001870900000000 ] - [ 0.0474142000000000, -0.0428349700000000, -0.0065796700000000 ] - [ -0.0000407600000000, 0.0007361500000000, -0.0000280200000000 ] - [ 0.0021905200000000, 0.0005030100000000, 0.0013551800000000 ] - [ 0.0010623100000000, 0.0015762900000000, -0.0009848200000000 ] - [ -0.0001238800000000, 0.0004060700000000, 0.0000097800000000 ] - [ -0.0062131300000000, 0.0075058400000000, -0.0003351700000000 ] - [ -0.0014557500000000, -0.0005633000000000, 0.0034034100000000 ] - [ -0.0000261600000000, 0.0006429400000000, 0.0000435500000000 ] - [ -0.0006037100000000, 0.0000258200000000, 0.0012798400000000 ] - [ -0.0001224000000000, 0.0004426300000000, 0.0003071700000000 ] - [ -0.0005585500000000, -0.0019038900000000, -0.0045931800000000 ] - [ -0.0000057000000000, 0.0008891400000000, -0.0000746300000000 ] - [ 0.0006443600000000, 0.0011608800000000, -0.0012276500000000 ] - [ -0.0001061500000000, 0.0001396700000000, -0.0004968300000000 ] - [ 0.0001656700000000, 0.0008328200000000, 0.0001111100000000 ] - [ 0.0012682200000000, -0.0009755800000000, 0.0007919800000000 ] - [ -0.0038752500000000, -0.0071956200000000, -0.0024003500000000 ] - [ 0.0001109000000000, 0.0008271500000000, -0.0000655800000000 ] - [ -0.0010473200000000, -0.0001733300000000, 0.0000924800000000 ] - [ -0.0000939000000000, 0.0000566500000000, 0.0000187300000000 ] - [ -0.0000569100000000, 0.0011264200000000, 0.0001677600000000 ] - [ -0.0010681200000000, -0.0035349300000000, 0.0004059200000000 ] - [ -0.0052072900000000, -0.0050167800000000, 0.0038735300000000 ] - [ -0.0001233700000000, 0.0009571500000000, 0.0004370800000000 ] - [ -0.0020297200000000, -0.0004154100000000, -0.0014572700000000 ] - [ -0.0002189000000000, 0.0008030000000000, -0.0000161600000000 ] - [ -0.0003089100000000, 0.0007427800000000, -0.0000872600000000 ] - [ -0.0021559600000000, -0.0000969500000000, 0.0013902400000000 ] - [ 0.0000641400000000, 0.0006443100000000, 0.0002558100000000 ] - [ 0.0001435700000000, 0.0004428500000000, 0.0009624700000000 ] - [ -0.0075364600000000, -0.0014625500000000, -0.0084257300000000 ] - [ 0.0001205700000000, 0.0007751200000000, -0.0000034900000000 ] - [ 0.0004873200000000, -0.0023139900000000, 0.0101225600000000 ] - [ 0.0000057200000000, 0.0007338300000000, -0.0003643000000000 ] - [ -0.0000550700000000, 0.0005872700000000, -0.0002860400000000 ] - [ -0.0000578100000000, 0.0003098100000000, -0.0025362700000000 ] - [ 0.0921274400000000, -0.0654341200000000, 0.0692680300000000 ] - [ 0.0000687800000000, 0.0008645400000000, -0.0000230400000000 ] - [ -0.0001258300000000, -0.0002993500000000, -0.0000732800000000 ] - [ 0.0000305400000000, 0.0011930600000000, -0.0005752400000000 ] - [ 0.0136217400000000, -0.0076664500000000, 0.0108779700000000 ] - [ 0.0001052900000000, -0.0002740500000000, -0.0000918900000000 ] - [ -0.0048353900000000, -0.0028534100000000, -0.0003102700000000 ] - [ -0.0006241300000000, -0.0007372800000000, -0.0001537900000000 ] - [ -0.1829861100000000, 0.1613077800000000, -0.0724991600000000 ] - [ 0.0002434600000000, -0.0005490400000000, 0.0000203800000000 ] - [ 0.0199688800000000, -0.0316841900000000, 0.0044200400000000 ] - [ 0.0000281700000000, -0.0004477500000000, -0.0000432100000000 ] - [ -0.0008486400000000, -0.0005468000000000, -0.0001225400000000 ] - [ -0.0008235900000000, -0.0037243400000000, -0.0000894000000000 ] - [ 0.0001864900000000, 0.0056432700000000, 0.0038400300000000 ] - [ -0.0001530400000000, -0.0006955100000000, 0.0002698900000000 ] - [ -0.0000341800000000, -0.0006840200000000, 0.0001670600000000 ] - [ -0.0003129900000000, 0.0010173800000000, 0.0002541700000000 ] - [ 0.0029493500000000, 0.0026199800000000, -0.0010198800000000 ] - [ 0.0000900800000000, -0.0004270400000000, -0.0001214000000000 ] - [ 0.0027186000000000, -0.0008916200000000, -0.0020398100000000 ] - [ 0.0000714900000000, -0.0001837900000000, -0.0003439400000000 ] - [ -0.0010048800000000, 0.0004828600000000, 0.0015391300000000 ] - [ -0.0000589100000000, -0.0006848300000000, 0.0001815400000000 ] - [ -0.0001669000000000, 0.0001514600000000, 0.0008730500000000 ] - [ -0.0000206200000000, -0.0002501800000000, -0.0000558800000000 ] - [ 0.0048034900000000, 0.0015465800000000, -0.0042168500000000 ] - [ -0.0000965000000000, -0.0005974600000000, -0.0001445500000000 ] - [ 0.0000408500000000, 0.0017019400000000, -0.0012885800000000 ] - [ 0.0001731100000000, -0.0005633900000000, -0.0001537900000000 ] - [ -0.0000357400000000, -0.0003417000000000, -0.0017265400000000 ] - [ -0.0000269200000000, -0.0004630200000000, -0.0001829200000000 ] - [ -0.0000617200000000, -0.0002193400000000, -0.0001816400000000 ] - [ -0.0000003700000000, -0.0003498900000000, -0.0003685100000000 ] - [ 0.0049641900000000, 0.0009372400000000, -0.0004855000000000 ] - [ -0.0001770100000000, -0.0002890900000000, -0.0001122400000000 ] - [ 0.0001669500000000, 0.0000524200000000, 0.0004632800000000 ] - [ 0.0000221200000000, -0.0002408700000000, -0.0000946300000000 ] - [ 0.0016109300000000, 0.0005052100000000, 0.0002845600000000 ] - [ 0.0001142900000000, -0.0003527100000000, 0.0001563300000000 ] - [ 0.0021460700000000, 0.0005312100000000, -0.0019507900000000 ] - [ 0.0002728700000000, -0.0002629800000000, 0.0000731400000000 ] - [ 0.0005192700000000, 0.0004976600000000, -0.0006190400000000 ] - [ 0.0000612600000000, -0.0005108400000000, 0.0001558800000000 ] - [ 0.0001509600000000, -0.0005660000000000, -0.0002540600000000 ] - [ 0.0003133900000000, -0.0002681600000000, -0.0003100500000000 ] - [ -0.0008608900000000, 0.0022220200000000, -0.0026392200000000 ] - [ 0.0000972000000000, -0.0005341700000000, 0.0001006200000000 ] - [ -0.0005128900000000, -0.0008339400000000, -0.0023030700000000 ] - [ -0.0000574400000000, -0.0003523400000000, -0.0000590200000000 ] - [ 0.0010153000000000, 0.0018514100000000, 0.0035689800000000 ] - [ 0.0000607400000000, -0.0006767700000000, -0.0001531100000000 ] - [ 0.0008603800000000, -0.0011833800000000, 0.0026683400000000 ] - [ -0.0000100700000000, -0.0003009100000000, 0.0001975100000000 ] - [ 0.0001508400000000, 0.0001013800000000, -0.0002683800000000 ] - [ 0.0000562100000000, -0.0002556200000000, 0.0001871100000000 ] - [ 0.0045653800000000, -0.0074652100000000, -0.0143423100000000 ] - [ -0.0000941500000000, -0.0003315000000000, 0.0001461700000000 ] - [ -0.0000731700000000, -0.0003408200000000, 0.0003146600000000 ] - [ -0.0000786200000000, -0.0003368700000000, 0.0004686900000000 ] - [ 0.0006288100000000, -0.0000418400000000, 0.0019100000000000 ] - [ 0.0001173300000000, -0.0005404400000000, -0.0001833400000000 ] - [ -0.0069292200000000, 0.0023475600000000, -0.0018005800000000 ] - [ -0.0000988000000000, -0.0005205100000000, 0.0000485100000000 ] - [ -0.0003495500000000, -0.0004465200000000, -0.0002233000000000 ] - [ -0.0004153900000000, -0.0000689200000000, 0.0003232200000000 ] - [ 0.0043022800000000, -0.0002094000000000, 0.0177179000000000 ] - [ -0.0002981900000000, -0.0005591600000000, -0.0000099300000000 ] - [ -0.0013032400000000, 0.0022056900000000, 0.0003068600000000 ] - [ 0.0000265800000000, -0.0005796300000000, 0.0003751400000000 ] - [ 0.0020363000000000, 0.0010099400000000, 0.0019998200000000 ] - [ -0.0000845900000000, -0.0002980500000000, 0.0001345100000000 ] - [ 0.0001640300000000, -0.0001047800000000, 0.0000445800000000 ] - [ 0.0020036400000000, -0.0009912200000000, 0.0020318200000000 ]- atom: 53 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0149905700000000, 0.0082215900000000, 0.0047227400000000 ] - [ -0.0000881600000000, -0.0004684000000000, 0.0000410500000000 ] - [ -0.0011015300000000, -0.0003260200000000, 0.0005510800000000 ] - [ -0.0006921300000000, -0.0007337700000000, -0.0007368500000000 ] - [ -0.0020410600000000, -0.0006076500000000, 0.0031652200000000 ] - [ 0.0000235900000000, -0.0004638500000000, -0.0000466300000000 ] - [ -0.0004073700000000, -0.0002717900000000, 0.0006806000000000 ] - [ -0.0000066800000000, -0.0003688500000000, 0.0001698400000000 ] - [ -0.0487058400000000, 0.0452356500000000, 0.0067517600000000 ] - [ -0.0003232000000000, -0.0007002000000000, -0.0000481400000000 ] - [ -0.0021803600000000, -0.0001699900000000, -0.0013402700000000 ] - [ -0.0010558600000000, -0.0012509300000000, 0.0009774200000000 ] - [ -0.0000500600000000, -0.0003920800000000, -0.0000276100000000 ] - [ 0.0060351600000000, -0.0075036700000000, 0.0003184400000000 ] - [ 0.0014542000000000, 0.0003091900000000, -0.0033927500000000 ] - [ 0.0000255200000000, -0.0009145400000000, -0.0000429900000000 ] - [ 0.0006055900000000, -0.0003444300000000, -0.0012795800000000 ] - [ 0.0001211300000000, -0.0007560600000000, -0.0003054500000000 ] - [ 0.0005448600000000, 0.0021260000000000, 0.0045945900000000 ] - [ 0.0000055700000000, -0.0006927100000000, 0.0000741900000000 ] - [ -0.0006519900000000, -0.0014035600000000, 0.0012302300000000 ] - [ 0.0001052900000000, -0.0003745300000000, 0.0004959800000000 ] - [ 0.0000084400000000, -0.0008195400000000, -0.0000923400000000 ] - [ -0.0011309700000000, 0.0009502500000000, -0.0007886500000000 ] - [ 0.0042457200000000, 0.0072390300000000, 0.0024585900000000 ] - [ 0.0002529900000000, -0.0007910500000000, 0.0001410800000000 ] - [ 0.0010433300000000, 0.0001249200000000, -0.0000927100000000 ] - [ 0.0000926200000000, -0.0001076300000000, -0.0000177500000000 ] - [ 0.0001065300000000, -0.0011178900000000, 0.0002446300000000 ] - [ 0.0011081000000000, 0.0035335700000000, 0.0000144400000000 ] - [ 0.0052530500000000, 0.0049962700000000, -0.0031511300000000 ] - [ 0.0001661300000000, -0.0009676600000000, 0.0002748800000000 ] - [ 0.0015771300000000, 0.0006814300000000, 0.0016120300000000 ] - [ -0.0002376300000000, -0.0005492900000000, 0.0001744100000000 ] - [ 0.0001185600000000, -0.0007089200000000, -0.0000997700000000 ] - [ 0.0019630300000000, 0.0001378600000000, -0.0015745500000000 ] - [ 0.0001265100000000, -0.0006087200000000, -0.0000698300000000 ] - [ 0.0000421300000000, -0.0004029600000000, -0.0007652600000000 ] - [ 0.0080126700000000, 0.0017250500000000, 0.0083017000000000 ] - [ 0.0003344200000000, -0.0005210100000000, -0.0001552100000000 ] - [ -0.0005306300000000, 0.0023125900000000, -0.0108443700000000 ] - [ -0.0000503400000000, -0.0007454800000000, -0.0003483100000000 ] - [ 0.0000024200000000, -0.0005801000000000, -0.0001272200000000 ] - [ 0.0000102700000000, -0.0003011400000000, 0.0021132400000000 ] - [ -0.0914882700000000, 0.0633797100000000, -0.0666848400000000 ] - [ -0.0000691400000000, -0.0008037900000000, 0.0000227300000000 ] - [ -0.0001492000000000, 0.0003722800000000, 0.0000360800000000 ] - [ -0.0002949600000000, -0.0011206500000000, 0.0005413400000000 ] - [ -0.0134682600000000, 0.0077674900000000, -0.0110596900000000 ] - [ 0.0001733800000000, 0.0002630500000000, 0.0000025300000000 ] - [ 0.0048803200000000, 0.0028919000000000, 0.0001583200000000 ] - [ 0.0006489600000000, 0.0008223200000000, -0.0000006400000000 ] - [ 0.1834745700000000, -0.1611883500000000, 0.0698136500000000 ] - [ 0.0000134000000000, 0.0004874600000000, -0.0000601900000000 ] - [ -0.0200061500000000, 0.0312458900000000, -0.0044004200000000 ] - [ -0.0002399700000000, 0.0004647900000000, 0.0000278900000000 ] - [ 0.0006926900000000, 0.0005013200000000, 0.0001228800000000 ] - [ 0.0006677000000000, 0.0036668700000000, 0.0000894200000000 ] - [ -0.0002268000000000, -0.0058169400000000, -0.0036390400000000 ] - [ 0.0000753500000000, 0.0005261300000000, -0.0000753800000000 ] - [ -0.0000100800000000, 0.0008810100000000, 0.0000747600000000 ] - [ 0.0002657000000000, -0.0008183200000000, -0.0000152600000000 ] - [ -0.0028296600000000, -0.0027041300000000, 0.0008035300000000 ] - [ 0.0000175800000000, 0.0003322500000000, -0.0001011100000000 ] - [ -0.0027414300000000, 0.0009202300000000, 0.0014105500000000 ] - [ -0.0001031100000000, 0.0002148700000000, -0.0002834200000000 ] - [ 0.0010553300000000, -0.0008654600000000, -0.0014675400000000 ] - [ 0.0001029700000000, 0.0003153500000000, -0.0001212300000000 ] - [ 0.0002073700000000, -0.0000251700000000, -0.0008841500000000 ] - [ 0.0000585900000000, 0.0003781100000000, 0.0000459800000000 ] - [ -0.0048032600000000, -0.0016245500000000, 0.0042227400000000 ] - [ 0.0000736400000000, 0.0005286900000000, 0.0001861100000000 ] - [ -0.0000990100000000, -0.0015065900000000, 0.0011453800000000 ] - [ -0.0002253800000000, 0.0007541400000000, 0.0000108600000000 ] - [ 0.0001120100000000, 0.0003643600000000, 0.0016782300000000 ] - [ 0.0001069800000000, 0.0004911200000000, 0.0001354200000000 ] - [ -0.0000199700000000, 0.0001593800000000, 0.0000940900000000 ] - [ -0.0000790600000000, 0.0002877700000000, 0.0002793400000000 ] - [ -0.0055900700000000, -0.0009651500000000, 0.0003535100000000 ] - [ -0.0004366300000000, 0.0002627700000000, -0.0000151500000000 ] - [ -0.0001242100000000, -0.0000826700000000, -0.0006599000000000 ] - [ 0.0000203400000000, 0.0002115700000000, -0.0001040300000000 ] - [ -0.0016457400000000, -0.0005338100000000, -0.0000862400000000 ] - [ -0.0001568300000000, 0.0003238200000000, 0.0000431100000000 ] - [ -0.0015383900000000, -0.0005602300000000, 0.0020821900000000 ] - [ 0.0003400500000000, 0.0002372800000000, 0.0000533300000000 ] - [ -0.0005972600000000, -0.0004761500000000, 0.0006573400000000 ] - [ -0.0001426500000000, 0.0005388800000000, -0.0001079300000000 ] - [ -0.0000704700000000, 0.0005076600000000, 0.0003408600000000 ] - [ -0.0002319100000000, 0.0002052200000000, 0.0003929000000000 ] - [ 0.0008890000000000, -0.0023036100000000, 0.0025946000000000 ] - [ -0.0000733200000000, 0.0004661800000000, -0.0001447200000000 ] - [ 0.0005654100000000, 0.0010280400000000, 0.0024526500000000 ] - [ 0.0001080300000000, 0.0005449800000000, 0.0002018500000000 ] - [ -0.0010594100000000, -0.0022370800000000, -0.0036417600000000 ] - [ -0.0001065700000000, 0.0003070900000000, 0.0000930100000000 ] - [ -0.0009007700000000, 0.0013219300000000, -0.0026766300000000 ] - [ -0.0000274000000000, 0.0004287700000000, -0.0001878700000000 ] - [ -0.0001107100000000, -0.0000686600000000, 0.0008878200000000 ] - [ -0.0000256200000000, 0.0002859800000000, 0.0004409800000000 ] - [ -0.0046859900000000, 0.0074405500000000, 0.0146505800000000 ] - [ -0.0000136900000000, 0.0002373100000000, 0.0000767800000000 ] - [ 0.0001221600000000, 0.0005409500000000, -0.0005560800000000 ] - [ 0.0001237200000000, 0.0005332200000000, -0.0007074400000000 ] - [ -0.0005550400000000, -0.0001322400000000, -0.0021042500000000 ] - [ -0.0000405700000000, 0.0003706100000000, -0.0000100400000000 ] - [ 0.0071197500000000, -0.0022536300000000, 0.0017178400000000 ] - [ 0.0003083400000000, 0.0005372900000000, -0.0000338600000000 ] - [ 0.0005004000000000, 0.0004034300000000, 0.0002189500000000 ] - [ 0.0005643200000000, 0.0000438400000000, -0.0003200800000000 ] - [ -0.0045736000000000, 0.0001220700000000, -0.0174995300000000 ] - [ 0.0000407100000000, 0.0004970300000000, 0.0000503800000000 ] - [ 0.0012737800000000, -0.0021211500000000, -0.0001550300000000 ] - [ -0.0000563300000000, 0.0006666600000000, -0.0002190700000000 ] - [ -0.0023170100000000, -0.0010257200000000, -0.0019079000000000 ] - [ -0.0001945700000000, 0.0002867600000000, -0.0000452400000000 ] - [ 0.0001105800000000, 0.0001773600000000, -0.0000080200000000 ] - [ -0.0017252200000000, 0.0010614000000000, -0.0019876000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0076437300000000, 0.0195550600000000, 0.0052881400000000 ] - [ -0.0001138700000000, -0.0016346600000000, 0.0001465200000000 ] - [ -0.0022788200000000, -0.0027598200000000, 0.0043544300000000 ] - [ -0.0001582100000000, -0.0018637900000000, -0.0008572800000000 ] - [ 0.0011644600000000, 0.0051085200000000, 0.0033507400000000 ] - [ 0.0000457500000000, -0.0015678400000000, -0.0001409600000000 ] - [ -0.0001071500000000, -0.0004128900000000, -0.0008041900000000 ] - [ 0.0002052400000000, -0.0015823500000000, 0.0006262800000000 ] - [ -0.0464427200000000, 0.0859868700000000, 0.0087051500000000 ] - [ -0.0003179400000000, -0.0024333100000000, -0.0000414200000000 ] - [ -0.0051297700000000, -0.0049645700000000, -0.0064812300000000 ] - [ -0.0002509400000000, -0.0030865400000000, 0.0004279000000000 ] - [ -0.0007656400000000, -0.0025795200000000, -0.0001223400000000 ] - [ 0.0058069500000000, -0.0084737900000000, 0.0001062100000000 ] - [ 0.0004402500000000, 0.0051466900000000, -0.0004673700000000 ] - [ -0.0000055000000000, -0.0025916700000000, -0.0000084100000000 ] - [ -0.0000435400000000, -0.0008203600000000, 0.0000010600000000 ] - [ 0.0000057400000000, -0.0021132200000000, -0.0001126400000000 ] - [ -0.0005256900000000, 0.0081174600000000, -0.0013277200000000 ] - [ 0.0000373000000000, -0.0024790300000000, 0.0001432700000000 ] - [ 0.0003964700000000, -0.0009118700000000, 0.0015344000000000 ] - [ -0.0000891600000000, -0.0023307600000000, -0.0003638100000000 ] - [ 0.0005167300000000, -0.0027063200000000, -0.0003674700000000 ] - [ -0.0045450500000000, -0.0054806000000000, 0.0007110600000000 ] - [ -0.0006650900000000, 0.0051766700000000, -0.0017367700000000 ] - [ 0.0002868900000000, -0.0023576300000000, 0.0000950400000000 ] - [ 0.0000329900000000, 0.0001575200000000, 0.0001710000000000 ] - [ 0.0001151000000000, -0.0002028500000000, -0.0000552700000000 ] - [ 0.0006354800000000, -0.0032397200000000, 0.0004121100000000 ] - [ -0.0020557300000000, -0.0032320700000000, -0.0005926600000000 ] - [ -0.0004388900000000, 0.0046825900000000, 0.0015252600000000 ] - [ 0.0001196600000000, -0.0026540300000000, 0.0002649500000000 ] - [ 0.0008185700000000, 0.0035117400000000, 0.0009906500000000 ] - [ -0.0002446800000000, -0.0023651700000000, 0.0001423000000000 ] - [ 0.0001320300000000, -0.0018426300000000, 0.0003400100000000 ] - [ 0.0000574900000000, 0.0006842000000000, -0.0025439300000000 ] - [ 0.0001113600000000, -0.0019704900000000, -0.0001523800000000 ] - [ -0.0001051900000000, 0.0002437100000000, 0.0011087600000000 ] - [ 0.0044795900000000, 0.0037624200000000, 0.0064406600000000 ] - [ 0.0002551900000000, -0.0023602100000000, -0.0001702300000000 ] - [ -0.0008159300000000, 0.0045872300000000, -0.0095789400000000 ] - [ -0.0000871600000000, -0.0025624500000000, -0.0002654200000000 ] - [ 0.0000082800000000, -0.0019922900000000, -0.0004087600000000 ] - [ -0.0003019200000000, 0.0003359800000000, 0.0021151900000000 ] - [ -0.0619693200000000, 0.1073380800000000, -0.0730724800000000 ] - [ -0.0000021300000000, -0.0028470800000000, -0.0000496000000000 ] - [ -0.0004498300000000, 0.0010121700000000, 0.0000299900000000 ] - [ 0.0013556800000000, 0.0010133100000000, 0.0004061600000000 ] - [ -0.0106152300000000, 0.0007621900000000, -0.0075534600000000 ] - [ 0.0002005300000000, 0.0010110100000000, 0.0000491600000000 ] - [ 0.0012614200000000, 0.0234292800000000, 0.0006533000000000 ] - [ 0.0007259200000000, 0.0020602600000000, 0.0000872500000000 ] - [ 0.1616252700000000, -0.2568505600000000, 0.0676557800000000 ] - [ -0.0003864200000000, 0.0017194600000000, -0.0001847500000000 ] - [ -0.0312440000000000, 0.0260345700000000, -0.0050028900000000 ] - [ -0.0006319100000000, 0.0019039000000000, 0.0001474000000000 ] - [ 0.0028244900000000, 0.0032993800000000, 0.0001404200000000 ] - [ 0.0004011800000000, 0.0039303600000000, 0.0002314900000000 ] - [ 0.0053343500000000, 0.0024375700000000, 0.0080452200000000 ] - [ 0.0002292300000000, 0.0017879400000000, -0.0004394800000000 ] - [ -0.0010806500000000, 0.0022226200000000, -0.0008326500000000 ] - [ -0.0000225500000000, 0.0017835900000000, 0.0008514500000000 ] - [ 0.0012301700000000, -0.0019692000000000, 0.0001768700000000 ] - [ 0.0000176700000000, 0.0009876000000000, -0.0000604300000000 ] - [ -0.0023881200000000, 0.0008573600000000, 0.0017962400000000 ] - [ 0.0002190000000000, 0.0008073600000000, -0.0005959600000000 ] - [ -0.0007330900000000, -0.0048722800000000, -0.0005317500000000 ] - [ 0.0002636500000000, 0.0015269700000000, -0.0004565300000000 ] - [ -0.0000895200000000, -0.0008326000000000, -0.0018671800000000 ] - [ -0.0002042200000000, 0.0016743900000000, 0.0005300200000000 ] - [ -0.0005231600000000, -0.0052137700000000, -0.0006121300000000 ] - [ 0.0002934100000000, 0.0016657000000000, 0.0004458000000000 ] - [ 0.0011818800000000, -0.0008721900000000, -0.0004550500000000 ] - [ -0.0004249900000000, 0.0017638600000000, -0.0002413300000000 ] - [ -0.0006840500000000, -0.0018044400000000, 0.0008646600000000 ] - [ 0.0002752900000000, 0.0015694700000000, 0.0003844700000000 ] - [ 0.0000039100000000, 0.0009507500000000, -0.0005489600000000 ] - [ -0.0001727700000000, 0.0007324300000000, -0.0001065900000000 ] - [ -0.0024513600000000, -0.0013946900000000, -0.0006984600000000 ] - [ -0.0003769100000000, 0.0008749200000000, -0.0000206700000000 ] - [ -0.0000292600000000, -0.0001905300000000, -0.0005268900000000 ] - [ 0.0000399000000000, 0.0006962600000000, -0.0000744000000000 ] - [ 0.0010532200000000, 0.0002050100000000, 0.0008350300000000 ] - [ -0.0004657600000000, 0.0008351300000000, -0.0001133200000000 ] - [ -0.0009775100000000, -0.0013930700000000, 0.0018266000000000 ] - [ 0.0003520700000000, 0.0008658100000000, 0.0000346800000000 ] - [ 0.0002818800000000, -0.0022430300000000, 0.0000628800000000 ] - [ -0.0002974300000000, 0.0015649500000000, -0.0004301800000000 ] - [ 0.0001367200000000, 0.0009053100000000, 0.0003832200000000 ] - [ 0.0001831600000000, 0.0007937100000000, 0.0005382400000000 ] - [ 0.0013929500000000, -0.0047127800000000, 0.0017484000000000 ] - [ -0.0002842800000000, 0.0016382700000000, -0.0004402400000000 ] - [ 0.0001650600000000, -0.0000983100000000, 0.0016039000000000 ] - [ 0.0003811600000000, 0.0016952200000000, 0.0003223900000000 ] - [ -0.0000439800000000, -0.0043774100000000, -0.0025163200000000 ] - [ -0.0002641200000000, 0.0015029400000000, 0.0004160900000000 ] - [ -0.0007235800000000, -0.0000566700000000, -0.0012814600000000 ] - [ 0.0002110800000000, 0.0016283700000000, -0.0003993000000000 ] - [ 0.0012622700000000, 0.0003024600000000, -0.0009243700000000 ] - [ -0.0001759400000000, 0.0007922600000000, 0.0006149600000000 ] - [ -0.0071007300000000, 0.0014753600000000, 0.0128694900000000 ] - [ -0.0000132000000000, 0.0009696800000000, 0.0000289900000000 ] - [ 0.0002800700000000, 0.0011074600000000, -0.0004088000000000 ] - [ 0.0001244100000000, 0.0008614300000000, -0.0006631900000000 ] - [ 0.0000117900000000, -0.0023542000000000, -0.0008157200000000 ] - [ -0.0002283400000000, 0.0014222500000000, 0.0003016200000000 ] - [ -0.0007167600000000, 0.0065242400000000, -0.0160045700000000 ] - [ 0.0006625500000000, 0.0018125100000000, -0.0000833700000000 ] - [ -0.0000386800000000, 0.0021052600000000, 0.0017549100000000 ] - [ -0.0000953100000000, 0.0027112900000000, -0.0003424800000000 ] - [ -0.0000168300000000, -0.0106129300000000, 0.0003883100000000 ] - [ 0.0003964400000000, 0.0016775100000000, 0.0002099000000000 ] - [ 0.0018669300000000, -0.0010609000000000, 0.0021277400000000 ] - [ -0.0005989300000000, 0.0019058600000000, -0.0002441900000000 ] - [ -0.0006975300000000, -0.0015849900000000, -0.0002689000000000 ] - [ -0.0001899800000000, 0.0009793800000000, -0.0000428100000000 ] - [ 0.0003458600000000, 0.0007128600000000, 0.0002672300000000 ] - [ -0.0017213800000000, 0.0010101400000000, -0.0023212600000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0078094400000000, -0.0195682600000000, -0.0055765100000000 ] - [ 0.0000875800000000, 0.0016817800000000, -0.0000304300000000 ] - [ 0.0022381100000000, 0.0027077200000000, -0.0042959800000000 ] - [ 0.0001338600000000, 0.0018178600000000, 0.0008914600000000 ] - [ -0.0011555800000000, -0.0050892900000000, -0.0034475000000000 ] - [ -0.0000118400000000, 0.0016081000000000, 0.0000128500000000 ] - [ 0.0001226600000000, 0.0003777100000000, 0.0007824300000000 ] - [ -0.0001894400000000, 0.0015380900000000, -0.0006452500000000 ] - [ 0.0424654900000000, -0.0819970800000000, -0.0082408300000000 ] - [ -0.0000411300000000, 0.0024613100000000, -0.0000425800000000 ] - [ 0.0050966400000000, 0.0052945700000000, 0.0064397900000000 ] - [ 0.0002525400000000, 0.0034301700000000, -0.0004300300000000 ] - [ 0.0005884600000000, 0.0025943400000000, 0.0001026200000000 ] - [ -0.0059695000000000, 0.0084970500000000, -0.0001266300000000 ] - [ -0.0004343400000000, -0.0054520900000000, 0.0004581800000000 ] - [ 0.0000050000000000, 0.0022974200000000, 0.0000090900000000 ] - [ 0.0000427600000000, 0.0005363100000000, -0.0000005000000000 ] - [ -0.0000054100000000, 0.0018172500000000, 0.0001132200000000 ] - [ 0.0005188300000000, -0.0079449400000000, 0.0013316700000000 ] - [ -0.0000366300000000, 0.0026538500000000, -0.0001424500000000 ] - [ -0.0003926500000000, 0.0007050900000000, -0.0015239900000000 ] - [ 0.0000883700000000, 0.0021125700000000, 0.0003641600000000 ] - [ -0.0003406300000000, 0.0027194800000000, 0.0003835200000000 ] - [ 0.0047175900000000, 0.0054988400000000, -0.0006982900000000 ] - [ 0.0010529000000000, -0.0050622000000000, 0.0018136400000000 ] - [ 0.0000728400000000, 0.0023858500000000, -0.0000110400000000 ] - [ -0.0000350200000000, -0.0002089100000000, -0.0001710600000000 ] - [ -0.0001148300000000, 0.0001518500000000, 0.0000558400000000 ] - [ -0.0005849200000000, 0.0032487600000000, -0.0000090900000000 ] - [ 0.0021006700000000, 0.0032420500000000, 0.0010032300000000 ] - [ 0.0004843600000000, -0.0046642200000000, -0.0008505000000000 ] - [ -0.0000856300000000, 0.0026352000000000, 0.0004236900000000 ] - [ -0.0012681000000000, -0.0032360800000000, -0.0007956100000000 ] - [ -0.0002142500000000, 0.0026111900000000, 0.0000374400000000 ] - [ -0.0003141100000000, 0.0018886800000000, -0.0005296800000000 ] - [ -0.0002442300000000, -0.0006456200000000, 0.0023593200000000 ] - [ 0.0000733600000000, 0.0020156300000000, 0.0003438400000000 ] - [ 0.0002900900000000, -0.0002075800000000, -0.0009189300000000 ] - [ -0.0040053200000000, -0.0035004100000000, -0.0066047500000000 ] - [ 0.0002033300000000, 0.0026072400000000, -0.0000097600000000 ] - [ 0.0007808500000000, -0.0045931400000000, 0.0088869200000000 ] - [ 0.0000524600000000, 0.0025437600000000, -0.0004239500000000 ] - [ -0.0000547000000000, 0.0020102800000000, 0.0000055700000000 ] - [ 0.0002609500000000, -0.0003323500000000, -0.0025278300000000 ] - [ 0.0644658500000000, -0.1087908700000000, 0.0764929900000000 ] - [ 0.0000020300000000, 0.0028846000000000, 0.0000485900000000 ] - [ 0.0001613300000000, -0.0009365300000000, -0.0000410200000000 ] - [ -0.0016437100000000, -0.0009394200000000, -0.0004184100000000 ] - [ 0.0108189600000000, -0.0007721700000000, 0.0074625900000000 ] - [ 0.0000784400000000, -0.0010163200000000, -0.0001112000000000 ] - [ -0.0012484900000000, -0.0229948400000000, -0.0008294300000000 ] - [ -0.0007041700000000, -0.0019864300000000, -0.0002481400000000 ] - [ -0.1606921200000000, 0.2542854300000000, -0.0713117400000000 ] - [ 0.0006411700000000, -0.0017712700000000, 0.0001451200000000 ] - [ 0.0315568000000000, -0.0262788800000000, 0.0050367700000000 ] - [ 0.0004208200000000, -0.0018850100000000, -0.0001675700000000 ] - [ -0.0029533400000000, -0.0033343300000000, -0.0001433500000000 ] - [ -0.0005518000000000, -0.0039831000000000, -0.0002357200000000 ] - [ -0.0054431800000000, -0.0026175500000000, -0.0079222100000000 ] - [ -0.0003030600000000, -0.0019547300000000, 0.0006324600000000 ] - [ 0.0010261300000000, -0.0020201800000000, 0.0010586400000000 ] - [ -0.0000261400000000, -0.0015820300000000, -0.0006168500000000 ] - [ -0.0011107700000000, 0.0018598000000000, -0.0003653500000000 ] - [ 0.0001108500000000, -0.0010767600000000, -0.0001397300000000 ] - [ 0.0023687700000000, -0.0008325500000000, -0.0024393900000000 ] - [ -0.0002477000000000, -0.0007776400000000, -0.0000401300000000 ] - [ 0.0007866000000000, 0.0044893600000000, 0.0006075300000000 ] - [ -0.0002151200000000, -0.0018916700000000, 0.0005165600000000 ] - [ 0.0001291400000000, 0.0009445900000000, 0.0018401500000000 ] - [ 0.0002443400000000, -0.0015478400000000, -0.0005405100000000 ] - [ 0.0004632900000000, 0.0051447500000000, 0.0006830800000000 ] - [ -0.0003188700000000, -0.0017290100000000, -0.0003965400000000 ] - [ -0.0012233200000000, 0.0010445300000000, 0.0003190400000000 ] - [ 0.0003757100000000, -0.0015767100000000, 0.0001016200000000 ] - [ 0.0007596900000000, 0.0018428300000000, -0.0009042200000000 ] - [ -0.0001974300000000, -0.0015403200000000, -0.0004290800000000 ] - [ -0.0000799500000000, -0.0010178300000000, 0.0004603000000000 ] - [ 0.0000939100000000, -0.0007932700000000, 0.0000175500000000 ] - [ 0.0018210300000000, 0.0013621300000000, 0.0005790600000000 ] - [ -0.0002357800000000, -0.0008988100000000, -0.0000993200000000 ] - [ 0.0000696100000000, 0.0001633800000000, 0.0003303400000000 ] - [ 0.0000019800000000, -0.0007271500000000, -0.0001237200000000 ] - [ -0.0010927800000000, -0.0002332600000000, -0.0006369900000000 ] - [ 0.0004200700000000, -0.0008649200000000, 0.0003108600000000 ] - [ 0.0015843600000000, 0.0013631000000000, -0.0017029100000000 ] - [ 0.0002603500000000, -0.0008889900000000, 0.0000850000000000 ] - [ -0.0003608800000000, 0.0022778100000000, -0.0000185600000000 ] - [ 0.0002190600000000, -0.0015363200000000, 0.0004749100000000 ] - [ -0.0000587300000000, -0.0009728200000000, -0.0002968100000000 ] - [ -0.0001027400000000, -0.0008571300000000, -0.0004536500000000 ] - [ -0.0013606800000000, 0.0046443800000000, -0.0017937800000000 ] - [ 0.0003122800000000, -0.0017017000000000, 0.0003885300000000 ] - [ -0.0001184600000000, 0.0002771200000000, -0.0014644700000000 ] - [ -0.0003337600000000, -0.0015076200000000, -0.0001816300000000 ] - [ -0.0000068800000000, 0.0040011700000000, 0.0024372400000000 ] - [ 0.0002139700000000, -0.0018683400000000, -0.0004767400000000 ] - [ 0.0006797700000000, 0.0001754700000000, 0.0012877700000000 ] - [ -0.0002491400000000, -0.0015025200000000, 0.0004101700000000 ] - [ -0.0012328100000000, -0.0002722900000000, 0.0015603900000000 ] - [ 0.0002052800000000, -0.0007634100000000, 0.0000212900000000 ] - [ 0.0069271000000000, -0.0015868200000000, -0.0126224800000000 ] - [ -0.0001144900000000, -0.0010587400000000, 0.0001722000000000 ] - [ -0.0002303000000000, -0.0009116100000000, 0.0001720100000000 ] - [ -0.0000751000000000, -0.0006594200000000, 0.0004276100000000 ] - [ 0.0000565900000000, 0.0021981800000000, 0.0006165300000000 ] - [ 0.0003018800000000, -0.0015929600000000, -0.0004942100000000 ] - [ 0.0009509400000000, -0.0065214300000000, 0.0162024100000000 ] - [ -0.0004530700000000, -0.0017952500000000, 0.0001035500000000 ] - [ 0.0001899500000000, -0.0021489300000000, -0.0017371800000000 ] - [ 0.0002435600000000, -0.0027546900000000, 0.0003465700000000 ] - [ -0.0003377100000000, 0.0105800300000000, -0.0005123000000000 ] - [ -0.0006505300000000, -0.0017300400000000, -0.0001681000000000 ] - [ -0.0018739400000000, 0.0011102900000000, -0.0019550800000000 ] - [ 0.0005758300000000, -0.0018311900000000, 0.0004054900000000 ] - [ 0.0004027500000000, 0.0015617400000000, 0.0003195400000000 ] - [ -0.0000888400000000, -0.0009853100000000, 0.0001041400000000 ] - [ -0.0000591000000000, -0.0006396600000000, -0.0002528400000000 ] - [ 0.0020138400000000, -0.0009399700000000, 0.0023474500000000 ]- atom: 53 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0129163100000000, 0.0090897500000000, 0.0222137000000000 ] - [ -0.0000168500000000, -0.0000755200000000, 0.0000638900000000 ] - [ -0.0001937900000000, 0.0011215500000000, 0.0000672400000000 ] - [ -0.0000254300000000, -0.0005579100000000, -0.0001004400000000 ] - [ -0.0011722900000000, 0.0000296200000000, -0.0049997000000000 ] - [ -0.0000082700000000, -0.0000898800000000, -0.0000915900000000 ] - [ -0.0005472300000000, -0.0006747600000000, -0.0004593500000000 ] - [ -0.0002763000000000, 0.0002512500000000, -0.0005204900000000 ] - [ -0.0302165100000000, 0.0296165100000000, 0.0226965400000000 ] - [ -0.0001943100000000, -0.0001074400000000, 0.0000780800000000 ] - [ -0.0001793800000000, -0.0005485200000000, 0.0014327200000000 ] - [ -0.0010350800000000, 0.0002699200000000, 0.0012486200000000 ] - [ -0.0000488500000000, 0.0000066200000000, 0.0000821600000000 ] - [ 0.0021676300000000, -0.0031819600000000, 0.0005147100000000 ] - [ 0.0029976300000000, -0.0007960800000000, -0.0052159200000000 ] - [ 0.0000222300000000, -0.0002924400000000, -0.0000532500000000 ] - [ 0.0006979300000000, -0.0002986600000000, -0.0019292900000000 ] - [ 0.0002489800000000, -0.0004452100000000, -0.0003145200000000 ] - [ -0.0043727300000000, -0.0004534300000000, -0.0031657500000000 ] - [ -0.0000106600000000, -0.0000621600000000, -0.0000127900000000 ] - [ -0.0006291600000000, 0.0002412700000000, -0.0000294700000000 ] - [ -0.0001661900000000, -0.0005652100000000, -0.0004084500000000 ] - [ 0.0001210700000000, -0.0004312500000000, 0.0000895300000000 ] - [ 0.0047363600000000, 0.0060500700000000, 0.0011926600000000 ] - [ -0.0037873800000000, -0.0037348300000000, 0.0025976300000000 ] - [ 0.0001035900000000, -0.0000755000000000, 0.0000833600000000 ] - [ 0.0005530000000000, 0.0000729600000000, 0.0001532600000000 ] - [ 0.0000427300000000, -0.0000646800000000, 0.0000301000000000 ] - [ -0.0000979000000000, -0.0000068500000000, 0.0003940900000000 ] - [ -0.0022082500000000, -0.0030175400000000, 0.0038138600000000 ] - [ 0.0044989200000000, 0.0050605900000000, 0.0013778300000000 ] - [ 0.0000758200000000, -0.0002957200000000, 0.0003931000000000 ] - [ 0.0020827400000000, 0.0046096800000000, -0.0048823100000000 ] - [ -0.0001830200000000, -0.0001470500000000, -0.0000318200000000 ] - [ -0.0000875700000000, -0.0001522300000000, -0.0001806000000000 ] - [ -0.0001231300000000, 0.0001624300000000, -0.0014260900000000 ] - [ 0.0002085700000000, -0.0000700700000000, -0.0001404100000000 ] - [ 0.0008705500000000, -0.0015752100000000, -0.0025163200000000 ] - [ 0.0013255400000000, 0.0006651100000000, -0.0002561100000000 ] - [ 0.0002247600000000, -0.0000937600000000, -0.0000581800000000 ] - [ 0.0016956800000000, 0.0003629000000000, -0.0129329500000000 ] - [ 0.0000689200000000, -0.0000419500000000, -0.0004215000000000 ] - [ -0.0000546700000000, -0.0001390200000000, -0.0002669400000000 ] - [ -0.0011506700000000, 0.0004025800000000, 0.0000814300000000 ] - [ 0.0154742000000000, -0.0354706400000000, 0.0820359000000000 ] - [ -0.0000577200000000, -0.0001471300000000, 0.0000782200000000 ] - [ -0.0001095300000000, 0.0001162300000000, -0.0001781600000000 ] - [ -0.0007046100000000, -0.0005443100000000, -0.0020832500000000 ] - [ 0.0010987600000000, -0.0001794800000000, -0.0034563700000000 ] - [ 0.0001364500000000, 0.0000793800000000, -0.0000764600000000 ] - [ 0.0021327800000000, -0.0023005100000000, -0.0047649700000000 ] - [ 0.0002350800000000, 0.0002319500000000, -0.0003703700000000 ] - [ 0.0281810300000000, -0.0185685200000000, -0.1421297800000000 ] - [ 0.0001095900000000, 0.0000759700000000, -0.0000622300000000 ] - [ -0.0112468200000000, 0.0167970500000000, -0.0098954600000000 ] - [ -0.0001184900000000, 0.0000702400000000, -0.0000295200000000 ] - [ -0.0000803000000000, -0.0001096400000000, -0.0002788300000000 ] - [ 0.0004024700000000, 0.0016112800000000, -0.0003575900000000 ] - [ 0.0054329800000000, 0.0058504500000000, 0.0020281000000000 ] - [ -0.0000063800000000, -0.0000110600000000, 0.0000496400000000 ] - [ 0.0000837200000000, -0.0000198000000000, 0.0000193100000000 ] - [ 0.0001580200000000, 0.0011814500000000, 0.0000138700000000 ] - [ -0.0006991600000000, -0.0008655900000000, -0.0027033600000000 ] - [ 0.0000633600000000, 0.0000439900000000, -0.0001741700000000 ] - [ -0.0010329600000000, 0.0004601900000000, 0.0003067700000000 ] - [ -0.0000727900000000, 0.0000293600000000, -0.0002802800000000 ] - [ 0.0018396300000000, -0.0021684300000000, 0.0077458100000000 ] - [ 0.0000323600000000, -0.0000502400000000, 0.0000097300000000 ] - [ 0.0001451500000000, -0.0009600000000000, 0.0006418100000000 ] - [ -0.0000136600000000, 0.0003316400000000, 0.0001343100000000 ] - [ -0.0074683800000000, -0.0007986300000000, 0.0041386200000000 ] - [ 0.0000075500000000, 0.0001103300000000, 0.0000592500000000 ] - [ -0.0004946800000000, -0.0015714500000000, 0.0007753600000000 ] - [ -0.0001310000000000, 0.0003486200000000, -0.0000493300000000 ] - [ -0.0011582100000000, 0.0017593800000000, 0.0025697000000000 ] - [ 0.0000387000000000, 0.0001034900000000, 0.0000451700000000 ] - [ -0.0001774000000000, -0.0001453100000000, 0.0002999300000000 ] - [ -0.0002855000000000, 0.0004357200000000, 0.0003836900000000 ] - [ -0.0021723700000000, -0.0008218800000000, 0.0003372900000000 ] - [ -0.0003288700000000, 0.0000684500000000, -0.0000555700000000 ] - [ 0.0001684500000000, 0.0002676300000000, 0.0003956600000000 ] - [ 0.0000159300000000, 0.0000039100000000, -0.0000485500000000 ] - [ 0.0011304400000000, 0.0005289500000000, 0.0000467600000000 ] - [ 0.0000326200000000, 0.0000242200000000, 0.0000955600000000 ] - [ -0.0035474100000000, -0.0008173700000000, 0.0036292600000000 ] - [ 0.0002215400000000, 0.0000503800000000, 0.0001110300000000 ] - [ -0.0006992700000000, -0.0002324400000000, 0.0018122000000000 ] - [ -0.0000557300000000, 0.0001352400000000, 0.0000277000000000 ] - [ 0.0000612200000000, 0.0002652800000000, 0.0004290600000000 ] - [ 0.0000403500000000, 0.0001389500000000, 0.0005769600000000 ] - [ -0.0008501900000000, -0.0011680300000000, 0.0041369400000000 ] - [ -0.0000143000000000, 0.0000435100000000, -0.0000168700000000 ] - [ 0.0004232600000000, 0.0017080900000000, 0.0030251000000000 ] - [ -0.0000569900000000, 0.0001018400000000, 0.0002712000000000 ] - [ 0.0009957300000000, -0.0005888000000000, 0.0007202800000000 ] - [ -0.0000314300000000, -0.0000557700000000, 0.0000130700000000 ] - [ -0.0000396700000000, -0.0000295700000000, 0.0001189900000000 ] - [ 0.0000707500000000, 0.0002425100000000, 0.0000413000000000 ] - [ -0.0017832000000000, -0.0004443200000000, 0.0019135500000000 ] - [ -0.0000774200000000, 0.0001521800000000, 0.0004323200000000 ] - [ -0.0095873000000000, 0.0107747100000000, 0.0136668800000000 ] - [ -0.0000588500000000, -0.0000421200000000, 0.0000897400000000 ] - [ 0.0002126000000000, 0.0001326300000000, 0.0000335200000000 ] - [ 0.0003628900000000, 0.0001002000000000, -0.0000267500000000 ] - [ 0.0017235800000000, -0.0004386000000000, 0.0014412800000000 ] - [ 0.0000352300000000, 0.0000184900000000, -0.0000570500000000 ] - [ 0.0035293200000000, -0.0150975200000000, 0.0094567600000000 ] - [ 0.0001725100000000, 0.0002016800000000, -0.0000243000000000 ] - [ 0.0001431900000000, 0.0004022100000000, -0.0003282300000000 ] - [ 0.0004489700000000, -0.0023724800000000, -0.0004403300000000 ] - [ 0.0130203500000000, -0.0003405300000000, 0.0046992900000000 ] - [ -0.0000734800000000, 0.0000592000000000, 0.0000182000000000 ] - [ 0.0007667300000000, 0.0011238200000000, -0.0003997300000000 ] - [ 0.0002871600000000, -0.0000747200000000, -0.0000450200000000 ] - [ 0.0013464500000000, -0.0003120500000000, 0.0020817800000000 ] - [ -0.0001037300000000, 0.0000653000000000, 0.0000918800000000 ] - [ 0.0001002400000000, 0.0000757600000000, 0.0000238300000000 ] - [ -0.0005843200000000, 0.0004071400000000, -0.0009303100000000 ]- atom: 53 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0137889200000000, -0.0102073500000000, -0.0239729100000000 ] - [ -0.0000067000000000, 0.0001254200000000, 0.0000462900000000 ] - [ 0.0001760600000000, -0.0011815400000000, -0.0000539600000000 ] - [ -0.0000012800000000, 0.0005021200000000, 0.0001257000000000 ] - [ 0.0011839600000000, 0.0000105200000000, 0.0048888500000000 ] - [ 0.0000392500000000, 0.0001353400000000, -0.0000322500000000 ] - [ 0.0005580800000000, 0.0006204200000000, 0.0004432700000000 ] - [ 0.0002912400000000, -0.0003028200000000, 0.0005011000000000 ] - [ 0.0296856100000000, -0.0290388600000000, -0.0232102900000000 ] - [ -0.0001699300000000, 0.0001441400000000, -0.0001537500000000 ] - [ 0.0001891400000000, 0.0008903600000000, -0.0014127700000000 ] - [ 0.0010312700000000, 0.0000588600000000, -0.0012437100000000 ] - [ -0.0001236800000000, 0.0000103700000000, -0.0000999400000000 ] - [ -0.0023140300000000, 0.0031533100000000, -0.0005250700000000 ] - [ -0.0030105900000000, 0.0005439200000000, 0.0052295900000000 ] - [ -0.0000226400000000, 0.0000207100000000, 0.0000538100000000 ] - [ -0.0006989300000000, -0.0000216700000000, 0.0019285900000000 ] - [ -0.0002498000000000, 0.0001374500000000, 0.0003132900000000 ] - [ 0.0043954400000000, 0.0006686400000000, 0.0031679700000000 ] - [ 0.0000109800000000, 0.0002591600000000, 0.0000126400000000 ] - [ 0.0006339600000000, -0.0004766400000000, 0.0000255800000000 ] - [ 0.0001661600000000, 0.0003351400000000, 0.0004084800000000 ] - [ 0.0000521300000000, 0.0004466200000000, -0.0000690800000000 ] - [ -0.0045585600000000, -0.0060343000000000, -0.0011685800000000 ] - [ 0.0041852100000000, 0.0037968700000000, -0.0025200800000000 ] - [ 0.0002607200000000, 0.0001121300000000, -0.0000059300000000 ] - [ -0.0005513800000000, -0.0001221000000000, -0.0001508400000000 ] - [ -0.0000436100000000, 0.0000138400000000, -0.0000280800000000 ] - [ 0.0001475100000000, 0.0000208600000000, 0.0000193100000000 ] - [ 0.0022536800000000, 0.0030246600000000, -0.0034006200000000 ] - [ -0.0044885600000000, -0.0051052000000000, -0.0006932600000000 ] - [ -0.0000334100000000, 0.0002852700000000, 0.0003168200000000 ] - [ -0.0025271400000000, -0.0043782400000000, 0.0050625900000000 ] - [ -0.0002733200000000, 0.0004025400000000, 0.0001927300000000 ] - [ -0.0001037400000000, 0.0001890000000000, -0.0000073800000000 ] - [ -0.0000643100000000, -0.0001161400000000, 0.0012256500000000 ] - [ -0.0000169500000000, 0.0001062300000000, 0.0003281400000000 ] - [ -0.0006767300000000, 0.0016293900000000, 0.0027131200000000 ] - [ -0.0008876700000000, -0.0004128700000000, 0.0000830300000000 ] - [ 0.0002314300000000, 0.0003496700000000, -0.0001025700000000 ] - [ -0.0017457800000000, -0.0003739400000000, 0.0122002800000000 ] - [ -0.0001115300000000, 0.0000328400000000, -0.0002884400000000 ] - [ 0.0000035900000000, 0.0001498900000000, -0.0001454500000000 ] - [ 0.0011026800000000, -0.0003915800000000, -0.0004891700000000 ] - [ -0.0145852800000000, 0.0349814500000000, -0.0822202900000000 ] - [ 0.0000575600000000, 0.0002076600000000, -0.0000777700000000 ] - [ -0.0001614500000000, -0.0000442600000000, 0.0001377300000000 ] - [ 0.0004318300000000, 0.0006173200000000, 0.0020434700000000 ] - [ -0.0008015400000000, 0.0001577600000000, 0.0033919800000000 ] - [ 0.0001423300000000, -0.0000907300000000, -0.0000087700000000 ] - [ -0.0021053500000000, 0.0023263600000000, 0.0046260200000000 ] - [ -0.0002070000000000, -0.0001463100000000, 0.0002154400000000 ] - [ -0.0295788500000000, 0.0197883000000000, 0.1443972000000000 ] - [ 0.0001475100000000, -0.0001380800000000, 0.0000223900000000 ] - [ 0.0109968000000000, -0.0167770900000000, 0.0099309300000000 ] - [ -0.0000922700000000, -0.0000546200000000, 0.0000145400000000 ] - [ -0.0000776000000000, 0.0000600500000000, 0.0002816100000000 ] - [ -0.0005518200000000, -0.0016443300000000, 0.0003586000000000 ] - [ -0.0055277800000000, -0.0060363900000000, -0.0018129900000000 ] - [ -0.0000717500000000, -0.0001604400000000, 0.0001457800000000 ] - [ -0.0001292300000000, 0.0002141000000000, 0.0002242500000000 ] - [ -0.0002038600000000, -0.0009862400000000, 0.0002249600000000 ] - [ 0.0008058900000000, 0.0007725500000000, 0.0025022700000000 ] - [ 0.0000461100000000, -0.0001386300000000, -0.0000460300000000 ] - [ 0.0009946100000000, -0.0004272100000000, -0.0009217100000000 ] - [ 0.0000413400000000, 0.0000008400000000, -0.0003451500000000 ] - [ -0.0018206300000000, 0.0017999200000000, -0.0077473400000000 ] - [ 0.0000112100000000, -0.0003201000000000, 0.0000507100000000 ] - [ -0.0001131600000000, 0.0010971300000000, -0.0006506100000000 ] - [ 0.0000519700000000, -0.0002058300000000, -0.0001445600000000 ] - [ 0.0075320000000000, 0.0007266400000000, -0.0041355000000000 ] - [ -0.0000302700000000, -0.0001797600000000, -0.0000167800000000 ] - [ 0.0004430700000000, 0.0017728200000000, -0.0009139100000000 ] - [ 0.0000783400000000, -0.0001584000000000, -0.0000904200000000 ] - [ 0.0012419700000000, -0.0017509200000000, -0.0026255400000000 ] - [ 0.0000420600000000, -0.0000761800000000, -0.0000928500000000 ] - [ 0.0000964000000000, 0.0000869000000000, -0.0003870900000000 ] - [ 0.0002065900000000, -0.0005032800000000, -0.0004685600000000 ] - [ 0.0015770100000000, 0.0008011600000000, -0.0004607800000000 ] - [ -0.0002840000000000, -0.0000956600000000, -0.0000691200000000 ] - [ -0.0001327300000000, -0.0003002400000000, -0.0005967900000000 ] - [ 0.0000257700000000, -0.0000334700000000, -0.0001502300000000 ] - [ -0.0011740400000000, -0.0005605600000000, 0.0001537300000000 ] - [ -0.0000741800000000, -0.0000543700000000, 0.0001048800000000 ] - [ 0.0041546700000000, 0.0007927800000000, -0.0034995900000000 ] - [ 0.0003907700000000, -0.0000771100000000, 0.0000143700000000 ] - [ 0.0006245100000000, 0.0002502700000000, -0.0017631800000000 ] - [ -0.0000255100000000, -0.0001088600000000, 0.0000220300000000 ] - [ 0.0000213000000000, -0.0003235700000000, -0.0003410300000000 ] - [ 0.0000397200000000, -0.0002032600000000, -0.0004888400000000 ] - [ 0.0008832400000000, 0.0010951900000000, -0.0041834000000000 ] - [ 0.0000387200000000, -0.0001129600000000, -0.0000266800000000 ] - [ -0.0003636900000000, -0.0015084800000000, -0.0028736100000000 ] - [ 0.0001076900000000, 0.0000881100000000, -0.0001278900000000 ] - [ -0.0010423000000000, 0.0002178500000000, -0.0007817300000000 ] - [ -0.0000134700000000, -0.0003147200000000, -0.0000721400000000 ] - [ 0.0000042000000000, 0.0001560400000000, -0.0001058500000000 ] - [ -0.0001078700000000, -0.0001166300000000, -0.0000301800000000 ] - [ 0.0018120500000000, 0.0004711800000000, -0.0012931300000000 ] - [ 0.0001089000000000, -0.0001219300000000, 0.0001943200000000 ] - [ 0.0093514000000000, -0.0107151900000000, -0.0133396900000000 ] - [ -0.0000501200000000, -0.0000529500000000, 0.0001312700000000 ] - [ -0.0001652100000000, 0.0000645900000000, -0.0002735900000000 ] - [ -0.0003156800000000, 0.0000958200000000, -0.0002126500000000 ] - [ -0.0016507300000000, 0.0002688700000000, -0.0016387000000000 ] - [ 0.0000422800000000, -0.0001899300000000, -0.0001361700000000 ] - [ -0.0032722000000000, 0.0149406900000000, -0.0093546200000000 ] - [ 0.0000368200000000, -0.0001860900000000, 0.0000394800000000 ] - [ 0.0000100400000000, -0.0004472800000000, 0.0003222600000000 ] - [ -0.0002955400000000, 0.0023230400000000, 0.0004370700000000 ] - [ -0.0131967500000000, 0.0002899800000000, -0.0047119400000000 ] - [ -0.0001831900000000, -0.0001218700000000, 0.0000232200000000 ] - [ -0.0007951600000000, -0.0010443700000000, 0.0005496700000000 ] - [ -0.0003133800000000, 0.0001597000000000, 0.0001992900000000 ] - [ -0.0016396000000000, 0.0003037700000000, -0.0020076300000000 ] - [ -0.0001747500000000, -0.0000769500000000, -0.0000058300000000 ] - [ 0.0001703700000000, -0.0000040700000000, 0.0000165900000000 ] - [ 0.0008541600000000, -0.0003319600000000, 0.0009620900000000 ]- atom: 55 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0108853000000000, -0.0033378900000000, -0.0049074400000000 ] - [ 0.0000569400000000, 0.0005765300000000, 0.0000395000000000 ] - [ 0.0006276200000000, 0.0007153900000000, -0.0006968600000000 ] - [ 0.0009449100000000, 0.0003753500000000, 0.0006663300000000 ] - [ 0.0022733200000000, 0.0004486500000000, 0.0037018100000000 ] - [ 0.0000128200000000, 0.0005569200000000, -0.0000387600000000 ] - [ 0.0000679400000000, 0.0004033600000000, 0.0001802500000000 ] - [ 0.0004003500000000, 0.0001135000000000, 0.0007571100000000 ] - [ -0.0063362600000000, 0.0080546300000000, 0.0005450100000000 ] - [ -0.0001810900000000, 0.0006187300000000, -0.0000954900000000 ] - [ 0.0010454200000000, 0.0015536700000000, 0.0008903600000000 ] - [ 0.0020350000000000, 0.0004974400000000, -0.0017110800000000 ] - [ 0.0000209200000000, 0.0007359500000000, -0.0000144500000000 ] - [ 0.0520994700000000, -0.0520993400000000, 0.0061814800000000 ] - [ -0.0003892300000000, -0.0024011100000000, 0.0042696300000000 ] - [ -0.0000100100000000, 0.0007287600000000, 0.0000755700000000 ] - [ -0.0001278300000000, 0.0002149600000000, 0.0005100900000000 ] - [ 0.0005550500000000, 0.0010184700000000, 0.0010321800000000 ] - [ -0.0013153400000000, -0.0009755300000000, -0.0031219900000000 ] - [ -0.0000194600000000, 0.0009780000000000, -0.0000399300000000 ] - [ -0.0000880000000000, 0.0005629500000000, -0.0003416200000000 ] - [ -0.0004670600000000, 0.0002195000000000, -0.0010090900000000 ] - [ 0.0000096400000000, 0.0008676900000000, 0.0000689900000000 ] - [ -0.0060968000000000, -0.0086147100000000, 0.0008166600000000 ] - [ 0.0021181100000000, -0.0003863300000000, -0.0010726400000000 ] - [ 0.0003149100000000, 0.0008861200000000, -0.0001155700000000 ] - [ -0.0036670800000000, -0.0000114300000000, -0.0005412400000000 ] - [ -0.0000384500000000, 0.0000411900000000, 0.0000035300000000 ] - [ -0.0000979000000000, 0.0010128000000000, 0.0001699600000000 ] - [ -0.0048693300000000, -0.0047181400000000, -0.0011682900000000 ] - [ -0.0004820000000000, -0.0030914300000000, 0.0007215300000000 ] - [ -0.0000266100000000, 0.0012061200000000, 0.0004453500000000 ] - [ -0.0004513900000000, 0.0004077500000000, -0.0007507800000000 ] - [ -0.0002737200000000, 0.0008977400000000, -0.0000748100000000 ] - [ -0.0001853400000000, 0.0007362400000000, -0.0001434500000000 ] - [ -0.0059814600000000, -0.0016215300000000, 0.0094594300000000 ] - [ 0.0001029000000000, 0.0007597000000000, 0.0001830100000000 ] - [ -0.0014936400000000, -0.0008411200000000, 0.0011527700000000 ] - [ -0.0021149800000000, -0.0001357700000000, -0.0014718100000000 ] - [ 0.0000130500000000, 0.0009791300000000, -0.0000150000000000 ] - [ -0.0004977800000000, 0.0003488800000000, 0.0024773600000000 ] - [ -0.0000880100000000, 0.0006824100000000, -0.0002916200000000 ] - [ -0.0000101600000000, 0.0007921700000000, -0.0002171200000000 ] - [ 0.0022336400000000, -0.0017102200000000, -0.0097146200000000 ] - [ 0.1001806000000000, -0.0672655000000000, -0.0618367200000000 ] - [ 0.0000614300000000, 0.0009577500000000, -0.0000044100000000 ] - [ -0.0000669100000000, -0.0002652600000000, -0.0000329000000000 ] - [ 0.0030468100000000, 0.0016130400000000, 0.0003488600000000 ] - [ 0.0030260900000000, -0.0009376900000000, 0.0020083300000000 ] - [ 0.0002041000000000, -0.0003057700000000, -0.0000317100000000 ] - [ -0.0007177400000000, -0.0034825900000000, -0.0000726100000000 ] - [ -0.0007631400000000, -0.0006553400000000, 0.0000590400000000 ] - [ 0.0200420300000000, -0.0312171400000000, -0.0014739100000000 ] - [ 0.0002633800000000, -0.0005608700000000, 0.0000396100000000 ] - [ -0.1936402900000000, 0.1675506500000000, 0.0780935200000000 ] - [ 0.0000495000000000, -0.0005653400000000, -0.0000430100000000 ] - [ -0.0007079400000000, -0.0007985400000000, 0.0000457900000000 ] - [ -0.0055496000000000, -0.0031968200000000, 0.0003189900000000 ] - [ 0.0041846100000000, 0.0017830400000000, 0.0033285200000000 ] - [ -0.0001356900000000, -0.0006922600000000, 0.0002652800000000 ] - [ 0.0001913600000000, -0.0005963600000000, 0.0001874200000000 ] - [ 0.0002035100000000, 0.0013440900000000, 0.0008463800000000 ] - [ -0.0007046100000000, 0.0015028800000000, 0.0003547300000000 ] - [ -0.0000091300000000, -0.0005047900000000, -0.0000722700000000 ] - [ 0.0132805100000000, -0.0076054200000000, -0.0104146700000000 ] - [ -0.0000301100000000, -0.0002393800000000, -0.0002730500000000 ] - [ 0.0000528300000000, -0.0002600400000000, 0.0016796500000000 ] - [ -0.0000492100000000, -0.0007330300000000, 0.0002018000000000 ] - [ 0.0000917500000000, -0.0002431500000000, 0.0003187400000000 ] - [ 0.0000100700000000, -0.0002403100000000, 0.0000551800000000 ] - [ -0.0008683200000000, 0.0045301100000000, -0.0028568300000000 ] - [ -0.0001332000000000, -0.0007044600000000, -0.0001773600000000 ] - [ -0.0003272600000000, 0.0008436500000000, -0.0002945000000000 ] - [ -0.0000136000000000, -0.0006939900000000, -0.0001367200000000 ] - [ -0.0009189600000000, 0.0010093700000000, -0.0009590600000000 ] - [ -0.0000460000000000, -0.0005425000000000, -0.0001911900000000 ] - [ -0.0000488500000000, -0.0004055200000000, 0.0000129200000000 ] - [ -0.0002146000000000, 0.0000855000000000, -0.0007800100000000 ] - [ 0.0011316700000000, 0.0004851100000000, -0.0003575200000000 ] - [ -0.0001779900000000, -0.0003938800000000, -0.0001373600000000 ] - [ 0.0014669000000000, 0.0005991000000000, 0.0021503100000000 ] - [ 0.0000000300000000, -0.0002888100000000, -0.0001071600000000 ] - [ 0.0046057300000000, 0.0010240600000000, -0.0001555800000000 ] - [ 0.0000859200000000, -0.0003156400000000, 0.0001423700000000 ] - [ 0.0007667800000000, 0.0000518300000000, -0.0004833100000000 ] - [ 0.0003282800000000, -0.0002833900000000, 0.0000626300000000 ] - [ 0.0006090600000000, 0.0021615000000000, -0.0036953200000000 ] - [ 0.0000491200000000, -0.0005357600000000, 0.0001603900000000 ] - [ 0.0000224200000000, -0.0004771100000000, -0.0001734500000000 ] - [ 0.0005928500000000, -0.0010678700000000, -0.0025027200000000 ] - [ 0.0005942900000000, -0.0000149400000000, -0.0021641700000000 ] - [ 0.0001034000000000, -0.0005482700000000, 0.0000774500000000 ] - [ -0.0000772800000000, -0.0004997200000000, -0.0007022100000000 ] - [ -0.0000543900000000, -0.0003699700000000, -0.0003694600000000 ] - [ 0.0004615400000000, 0.0005232200000000, 0.0005253900000000 ] - [ 0.0000838100000000, -0.0007688000000000, -0.0001871400000000 ] - [ 0.0002753600000000, -0.0002371800000000, 0.0004104700000000 ] - [ 0.0000655100000000, -0.0004942800000000, 0.0002460800000000 ] - [ 0.0026910400000000, 0.0012382300000000, -0.0008233000000000 ] - [ 0.0000640400000000, -0.0002649800000000, 0.0002313500000000 ] - [ 0.0015029400000000, -0.0014172500000000, -0.0028087700000000 ] - [ -0.0000366800000000, -0.0002861900000000, 0.0001219400000000 ] - [ -0.0000810200000000, -0.0003932100000000, 0.0000158600000000 ] - [ -0.0006324900000000, -0.0005644700000000, 0.0015911500000000 ] - [ -0.0010713600000000, 0.0021159800000000, 0.0021699400000000 ] - [ 0.0001339700000000, -0.0006311900000000, -0.0002314200000000 ] - [ 0.0094853800000000, 0.0007055500000000, -0.0198534300000000 ] - [ -0.0000937600000000, -0.0005788500000000, 0.0000475600000000 ] - [ 0.0001447100000000, -0.0007158200000000, -0.0002784300000000 ] - [ -0.0009080900000000, 0.0025303900000000, 0.0000275800000000 ] - [ -0.0071367200000000, 0.0007820200000000, -0.0000943900000000 ] - [ -0.0003329100000000, -0.0005931300000000, -0.0000166900000000 ] - [ -0.0005257300000000, -0.0002255200000000, -0.0000979700000000 ] - [ -0.0004487100000000, -0.0003097300000000, 0.0003207500000000 ] - [ -0.0001207100000000, 0.0001279900000000, 0.0006462100000000 ] - [ -0.0001149200000000, -0.0003605100000000, 0.0001641800000000 ] - [ 0.0000967800000000, -0.0001932600000000, 0.0000146300000000 ] - [ 0.0059994300000000, -0.0060694400000000, 0.0108055200000000 ]- atom: 55 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0109909700000000, 0.0035023500000000, 0.0048251900000000 ] - [ -0.0000799200000000, -0.0005232100000000, 0.0000722300000000 ] - [ -0.0006558700000000, -0.0007704600000000, 0.0007256100000000 ] - [ -0.0009761400000000, -0.0004324900000000, -0.0006463400000000 ] - [ -0.0022531100000000, -0.0004304800000000, -0.0038028500000000 ] - [ 0.0000184400000000, -0.0005097000000000, -0.0000855000000000 ] - [ -0.0000518800000000, -0.0004521100000000, -0.0001907200000000 ] - [ -0.0003841900000000, -0.0001614000000000, -0.0007710400000000 ] - [ 0.0059745100000000, -0.0080102500000000, -0.0006273000000000 ] - [ -0.0001844200000000, -0.0005813000000000, 0.0000198500000000 ] - [ -0.0010520500000000, -0.0012210800000000, -0.0008979900000000 ] - [ -0.0020507800000000, -0.0001766400000000, 0.0017311300000000 ] - [ -0.0001957400000000, -0.0007180100000000, -0.0000042300000000 ] - [ -0.0512663800000000, 0.0495251400000000, -0.0059785400000000 ] - [ 0.0004047800000000, 0.0021043000000000, -0.0042699100000000 ] - [ 0.0000099700000000, -0.0009951800000000, -0.0000753900000000 ] - [ 0.0001284200000000, -0.0005242100000000, -0.0005110900000000 ] - [ -0.0005473600000000, -0.0013189900000000, -0.0010315700000000 ] - [ 0.0013173100000000, 0.0011568300000000, 0.0031318500000000 ] - [ 0.0000199400000000, -0.0007756400000000, 0.0000399000000000 ] - [ 0.0000890700000000, -0.0007935200000000, 0.0003437700000000 ] - [ 0.0004644400000000, -0.0004438300000000, 0.0010080100000000 ] - [ 0.0001658200000000, -0.0008504800000000, -0.0000501700000000 ] - [ 0.0062712000000000, 0.0086311800000000, -0.0008133900000000 ] - [ -0.0017129800000000, 0.0004642400000000, 0.0011409500000000 ] - [ 0.0000505200000000, -0.0008474500000000, 0.0001932800000000 ] - [ 0.0036538200000000, -0.0000363200000000, 0.0005339100000000 ] - [ 0.0000380600000000, -0.0000916700000000, -0.0000024000000000 ] - [ 0.0001501300000000, -0.0010001600000000, 0.0002414300000000 ] - [ 0.0049191900000000, 0.0047405100000000, 0.0015889900000000 ] - [ 0.0005380200000000, 0.0030926900000000, -0.0000106400000000 ] - [ 0.0000724800000000, -0.0012135500000000, 0.0002645000000000 ] - [ -0.0000011100000000, -0.0001562300000000, 0.0009189300000000 ] - [ -0.0001822600000000, -0.0006375300000000, 0.0002343700000000 ] - [ -0.0000041400000000, -0.0006941300000000, -0.0000421900000000 ] - [ 0.0057766200000000, 0.0016545800000000, -0.0096079400000000 ] - [ 0.0000884200000000, -0.0007176100000000, 0.0000028100000000 ] - [ 0.0016758100000000, 0.0008696800000000, -0.0009720500000000 ] - [ 0.0025768800000000, 0.0003873300000000, 0.0013171600000000 ] - [ 0.0004428600000000, -0.0007167400000000, -0.0001462100000000 ] - [ 0.0004497200000000, -0.0003577600000000, -0.0031927000000000 ] - [ 0.0000448200000000, -0.0006869300000000, -0.0004187900000000 ] - [ -0.0000412500000000, -0.0007778000000000, -0.0001949900000000 ] - [ -0.0022748700000000, 0.0017126500000000, 0.0092692500000000 ] - [ -0.1015958500000000, 0.0701265200000000, 0.0647915400000000 ] - [ -0.0000611500000000, -0.0008926800000000, 0.0000043900000000 ] - [ -0.0002105000000000, 0.0003367900000000, -0.0000019300000000 ] - [ -0.0033209800000000, -0.0015430400000000, -0.0003797800000000 ] - [ -0.0027544700000000, 0.0009294000000000, -0.0021056600000000 ] - [ 0.0000762500000000, 0.0002922600000000, -0.0000582900000000 ] - [ 0.0007484500000000, 0.0035809600000000, -0.0000807700000000 ] - [ 0.0007978400000000, 0.0007440700000000, -0.0002146100000000 ] - [ -0.0199558600000000, 0.0316067900000000, 0.0014299000000000 ] - [ -0.0000054000000000, 0.0004969300000000, -0.0000790500000000 ] - [ 0.1939656100000000, -0.1681737500000000, -0.0812625000000000 ] - [ -0.0002594500000000, 0.0005802600000000, 0.0000279500000000 ] - [ 0.0005591300000000, 0.0007541300000000, -0.0000433300000000 ] - [ 0.0053746100000000, 0.0032186300000000, -0.0003150200000000 ] - [ -0.0042765600000000, -0.0019446500000000, -0.0031590500000000 ] - [ 0.0000567200000000, 0.0005186900000000, -0.0000697500000000 ] - [ -0.0002392900000000, 0.0007920700000000, 0.0000499500000000 ] - [ -0.0002446900000000, -0.0011540600000000, -0.0006090800000000 ] - [ 0.0008013700000000, -0.0016012500000000, -0.0005699300000000 ] - [ 0.0001161600000000, 0.0004087500000000, -0.0001502200000000 ] - [ -0.0131808600000000, 0.0075289700000000, 0.0097052000000000 ] - [ 0.0000007600000000, 0.0002681900000000, -0.0003559800000000 ] - [ -0.0000049600000000, -0.0001053200000000, -0.0016219100000000 ] - [ 0.0000934900000000, 0.0003592800000000, -0.0001402200000000 ] - [ -0.0000530900000000, 0.0003698100000000, -0.0003316500000000 ] - [ 0.0000308700000000, 0.0003632800000000, -0.0000651100000000 ] - [ 0.0008113800000000, -0.0046092000000000, 0.0029162600000000 ] - [ 0.0001101800000000, 0.0006325500000000, 0.0002185800000000 ] - [ 0.0002761300000000, -0.0006580200000000, 0.0001547800000000 ] - [ -0.0000417100000000, 0.0008837500000000, -0.0000003100000000 ] - [ 0.0009942400000000, -0.0009709900000000, 0.0009271100000000 ] - [ 0.0001266100000000, 0.0005660000000000, 0.0001418500000000 ] - [ -0.0000299500000000, 0.0003409200000000, -0.0001001200000000 ] - [ 0.0001335300000000, -0.0001490900000000, 0.0006955100000000 ] - [ -0.0017547200000000, -0.0005120200000000, 0.0002318500000000 ] - [ -0.0004364400000000, 0.0003650700000000, 0.0000119100000000 ] - [ -0.0014166200000000, -0.0006263300000000, -0.0023386500000000 ] - [ 0.0000431800000000, 0.0002571400000000, -0.0000929500000000 ] - [ -0.0046347900000000, -0.0010534600000000, 0.0003495300000000 ] - [ -0.0001295700000000, 0.0002842900000000, 0.0000582700000000 ] - [ -0.0001537000000000, -0.0000775300000000, 0.0006103300000000 ] - [ 0.0002850200000000, 0.0002554000000000, 0.0000632000000000 ] - [ -0.0006921300000000, -0.0021211100000000, 0.0037322100000000 ] - [ -0.0001296100000000, 0.0005586700000000, -0.0001102200000000 ] - [ 0.0000580600000000, 0.0004128100000000, 0.0002599600000000 ] - [ -0.0005118200000000, 0.0009939700000000, 0.0025718000000000 ] - [ -0.0005675200000000, -0.0000477200000000, 0.0021210900000000 ] - [ -0.0000785600000000, 0.0004759600000000, -0.0001203100000000 ] - [ 0.0001302300000000, 0.0006899900000000, 0.0008455800000000 ] - [ 0.0001038800000000, 0.0005562700000000, 0.0005104800000000 ] - [ -0.0005100100000000, -0.0008878200000000, -0.0005943100000000 ] - [ -0.0001284200000000, 0.0003945000000000, 0.0001262700000000 ] - [ -0.0003146600000000, 0.0003652400000000, -0.0004040600000000 ] - [ -0.0001030900000000, 0.0006152400000000, -0.0002350100000000 ] - [ -0.0026600000000000, -0.0012055300000000, 0.0014547000000000 ] - [ -0.0000343100000000, 0.0002930700000000, 0.0003980600000000 ] - [ -0.0016108500000000, 0.0013237000000000, 0.0030408700000000 ] - [ -0.0000697100000000, 0.0001894000000000, 0.0000998600000000 ] - [ 0.0001293600000000, 0.0005878000000000, -0.0002557300000000 ] - [ 0.0006768900000000, 0.0007557200000000, -0.0018231900000000 ] - [ 0.0011427700000000, -0.0022740200000000, -0.0023619800000000 ] - [ -0.0000548900000000, 0.0004562500000000, 0.0000370900000000 ] - [ -0.0093106500000000, -0.0006569700000000, 0.0201211500000000 ] - [ 0.0003028000000000, 0.0005930800000000, -0.0000329600000000 ] - [ 0.0000092100000000, 0.0006701600000000, 0.0002786400000000 ] - [ 0.0010652500000000, -0.0025749000000000, -0.0000331500000000 ] - [ 0.0069204600000000, -0.0009327400000000, 0.0000283600000000 ] - [ 0.0000755700000000, 0.0005279700000000, 0.0000566800000000 ] - [ 0.0005012600000000, 0.0002932200000000, 0.0002561800000000 ] - [ 0.0004216200000000, 0.0003950000000000, -0.0001704100000000 ] - [ -0.0001694900000000, -0.0001411100000000, -0.0005627200000000 ] - [ -0.0001639800000000, 0.0003464800000000, -0.0000735200000000 ] - [ 0.0001806700000000, 0.0002637800000000, 0.0000211200000000 ] - [ -0.0056850800000000, 0.0060755100000000, -0.0106839900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026849600000000, 0.0140923800000000, 0.0051891400000000 ] - [ -0.0001287800000000, -0.0016563300000000, -0.0000322300000000 ] - [ -0.0000809500000000, -0.0018685800000000, 0.0008281700000000 ] - [ -0.0024973700000000, -0.0027656200000000, -0.0046815700000000 ] - [ 0.0012451100000000, 0.0052400800000000, -0.0036717900000000 ] - [ 0.0000491300000000, -0.0015774000000000, 0.0000101400000000 ] - [ 0.0001699500000000, -0.0016055500000000, -0.0006025600000000 ] - [ 0.0000186000000000, -0.0003268300000000, 0.0009157000000000 ] - [ 0.0057905000000000, -0.0087929800000000, -0.0006207400000000 ] - [ -0.0009967700000000, -0.0028110400000000, 0.0001009800000000 ] - [ -0.0001206200000000, -0.0030082200000000, -0.0004105900000000 ] - [ -0.0058021400000000, -0.0055579600000000, 0.0067188100000000 ] - [ -0.0001989000000000, -0.0023791800000000, -0.0000210200000000 ] - [ -0.0491142400000000, 0.0931772400000000, -0.0071517000000000 ] - [ -0.0005564200000000, 0.0075690700000000, 0.0013384900000000 ] - [ 0.0000432900000000, -0.0027013900000000, -0.0001594400000000 ] - [ -0.0000965300000000, -0.0023754100000000, 0.0003804600000000 ] - [ 0.0004694100000000, -0.0008500900000000, -0.0014911600000000 ] - [ 0.0003766500000000, 0.0052846900000000, 0.0004842600000000 ] - [ -0.0000045000000000, -0.0024039400000000, 0.0000058700000000 ] - [ -0.0000195200000000, -0.0021141200000000, 0.0001206700000000 ] - [ -0.0000792800000000, -0.0006575800000000, -0.0000824400000000 ] - [ 0.0001757800000000, -0.0022811100000000, -0.0000187300000000 ] - [ -0.0004714900000000, 0.0054440100000000, 0.0013567600000000 ] - [ -0.0042176200000000, -0.0055373500000000, -0.0013817900000000 ] - [ 0.0006127600000000, -0.0028039000000000, 0.0006112100000000 ] - [ 0.0019695100000000, 0.0003546100000000, 0.0002814100000000 ] - [ 0.0000015100000000, -0.0002366700000000, -0.0000056000000000 ] - [ 0.0000992800000000, -0.0025626600000000, 0.0002548400000000 ] - [ 0.0001820200000000, 0.0048003900000000, -0.0006358100000000 ] - [ -0.0022787600000000, -0.0029070900000000, 0.0025507100000000 ] - [ 0.0007307400000000, -0.0033983100000000, -0.0000762700000000 ] - [ -0.0005681300000000, 0.0003875800000000, -0.0007540300000000 ] - [ -0.0002135100000000, -0.0018880800000000, 0.0003129200000000 ] - [ -0.0000835500000000, -0.0024184900000000, -0.0000025800000000 ] - [ 0.0033543400000000, 0.0036423400000000, -0.0071514800000000 ] - [ 0.0000892300000000, -0.0024171100000000, 0.0000309900000000 ] - [ 0.0006898000000000, 0.0034950900000000, -0.0004453000000000 ] - [ 0.0005852300000000, 0.0007832200000000, 0.0021851000000000 ] - [ 0.0004981200000000, -0.0017515400000000, -0.0005647100000000 ] - [ 0.0003180900000000, 0.0003900600000000, -0.0030137100000000 ] - [ -0.0000942300000000, -0.0020926000000000, -0.0000912100000000 ] - [ -0.0000675900000000, -0.0024817000000000, -0.0002691800000000 ] - [ -0.0019781400000000, 0.0043347500000000, 0.0070573900000000 ] - [ -0.0682042700000000, 0.1062841100000000, 0.0661933400000000 ] - [ -0.0000282600000000, -0.0028771800000000, 0.0000658300000000 ] - [ -0.0002017500000000, 0.0007975800000000, -0.0000227400000000 ] - [ -0.0004279600000000, -0.0015011200000000, -0.0000069200000000 ] - [ -0.0025269600000000, 0.0008882800000000, -0.0022924900000000 ] - [ 0.0004528800000000, 0.0009252500000000, 0.0002785100000000 ] - [ 0.0003594900000000, 0.0037900100000000, -0.0001985000000000 ] - [ 0.0031209500000000, 0.0036658700000000, -0.0000012600000000 ] - [ -0.0315983400000000, 0.0262596200000000, 0.0014075300000000 ] - [ -0.0003279900000000, 0.0018642500000000, -0.0002067300000000 ] - [ 0.1675830200000000, -0.2593581600000000, -0.0738861800000000 ] - [ -0.0006779400000000, 0.0018019800000000, 0.0001358200000000 ] - [ 0.0006238900000000, 0.0019846800000000, -0.0001329100000000 ] - [ 0.0015707900000000, 0.0253629000000000, -0.0003086600000000 ] - [ -0.0009131800000000, -0.0050459100000000, 0.0005759900000000 ] - [ 0.0002684000000000, 0.0015906000000000, -0.0003147500000000 ] - [ -0.0004292100000000, 0.0017395100000000, 0.0002935900000000 ] - [ 0.0011776600000000, -0.0009342700000000, 0.0005665100000000 ] - [ 0.0017847700000000, 0.0019523600000000, -0.0010809700000000 ] - [ -0.0001899400000000, 0.0013582200000000, -0.0000773700000000 ] - [ -0.0102126400000000, 0.0008936800000000, 0.0064171800000000 ] - [ 0.0000364800000000, 0.0008907800000000, -0.0003919100000000 ] - [ -0.0006159700000000, -0.0020139300000000, -0.0008443400000000 ] - [ 0.0002498000000000, 0.0013760700000000, -0.0003810200000000 ] - [ -0.0000913400000000, 0.0008542400000000, 0.0000539200000000 ] - [ 0.0001161700000000, 0.0009890500000000, 0.0005321400000000 ] - [ 0.0042943600000000, 0.0018926600000000, -0.0073251000000000 ] - [ 0.0002697200000000, 0.0019086800000000, 0.0006149900000000 ] - [ -0.0000951500000000, 0.0018414200000000, -0.0010166400000000 ] - [ -0.0010371600000000, 0.0022932800000000, 0.0009523200000000 ] - [ -0.0005717400000000, -0.0045937700000000, 0.0002745500000000 ] - [ 0.0002966500000000, 0.0017382100000000, 0.0004617300000000 ] - [ -0.0002951000000000, 0.0016049800000000, -0.0005781400000000 ] - [ -0.0000501900000000, -0.0010302700000000, 0.0018030800000000 ] - [ 0.0007929700000000, 0.0000702200000000, -0.0008316300000000 ] - [ -0.0008331300000000, 0.0008456700000000, 0.0001783900000000 ] - [ -0.0004593400000000, -0.0014015200000000, -0.0017207900000000 ] - [ 0.0000521900000000, 0.0008469600000000, -0.0000725800000000 ] - [ -0.0022714500000000, -0.0014440700000000, 0.0009112800000000 ] - [ -0.0000714300000000, 0.0008560800000000, 0.0000625800000000 ] - [ 0.0000692100000000, -0.0002067500000000, 0.0004582700000000 ] - [ 0.0003761300000000, 0.0007074800000000, 0.0000346300000000 ] - [ 0.0000659800000000, -0.0040681400000000, 0.0024403000000000 ] - [ -0.0002960800000000, 0.0017070100000000, -0.0004138400000000 ] - [ 0.0002963200000000, 0.0015508800000000, 0.0004373900000000 ] - [ -0.0006037700000000, -0.0003671300000000, 0.0012040800000000 ] - [ -0.0001673200000000, -0.0023542700000000, 0.0007291600000000 ] - [ -0.0002541400000000, 0.0015163600000000, -0.0004311500000000 ] - [ 0.0001092700000000, 0.0009552500000000, 0.0007109700000000 ] - [ 0.0002694500000000, 0.0011149000000000, 0.0003556100000000 ] - [ 0.0002936300000000, -0.0024152800000000, -0.0000369300000000 ] - [ -0.0002742900000000, 0.0013750500000000, 0.0004423400000000 ] - [ 0.0000882400000000, 0.0009638600000000, -0.0005167200000000 ] - [ 0.0000230300000000, 0.0009087300000000, -0.0003151000000000 ] - [ -0.0007596900000000, -0.0014502800000000, 0.0001991300000000 ] - [ -0.0000245400000000, 0.0008558100000000, 0.0003843300000000 ] - [ -0.0018773800000000, 0.0011525700000000, 0.0032815600000000 ] - [ 0.0001943000000000, 0.0008930900000000, -0.0002831300000000 ] - [ 0.0003944300000000, 0.0016812400000000, -0.0003650900000000 ] - [ 0.0000932100000000, -0.0004583600000000, -0.0011843900000000 ] - [ 0.0015084600000000, -0.0044640000000000, -0.0014538100000000 ] - [ -0.0002622700000000, 0.0015670200000000, 0.0003126500000000 ] - [ -0.0005075000000000, -0.0109785800000000, 0.0003872400000000 ] - [ 0.0006903700000000, 0.0017463700000000, -0.0001673800000000 ] - [ -0.0005443900000000, 0.0018294200000000, 0.0002858000000000 ] - [ 0.0022340300000000, -0.0013063800000000, -0.0022238300000000 ] - [ -0.0024753500000000, 0.0065001200000000, 0.0160555000000000 ] - [ 0.0004006100000000, 0.0017735900000000, 0.0000980500000000 ] - [ -0.0002437400000000, 0.0027275100000000, 0.0004878100000000 ] - [ -0.0000669700000000, 0.0022142900000000, -0.0017904800000000 ] - [ 0.0013459100000000, 0.0002691700000000, 0.0013510000000000 ] - [ -0.0003862000000000, 0.0008955800000000, -0.0002890200000000 ] - [ 0.0002020800000000, 0.0007955800000000, 0.0000510300000000 ] - [ -0.0059458500000000, 0.0006345900000000, -0.0077220400000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025332500000000, -0.0139334900000000, -0.0052992600000000 ] - [ 0.0001063400000000, 0.0017122400000000, 0.0001457100000000 ] - [ 0.0000535400000000, 0.0018137600000000, -0.0007957100000000 ] - [ 0.0024898200000000, 0.0027147600000000, 0.0047467200000000 ] - [ -0.0011887500000000, -0.0051692300000000, 0.0035766400000000 ] - [ -0.0000183300000000, 0.0016278800000000, -0.0001367700000000 ] - [ -0.0001518200000000, 0.0015541300000000, 0.0005853500000000 ] - [ -0.0000013100000000, 0.0002646500000000, -0.0009416300000000 ] - [ -0.0061674900000000, 0.0088336500000000, 0.0005398700000000 ] - [ 0.0006349100000000, 0.0028592100000000, -0.0001769600000000 ] - [ 0.0001194200000000, 0.0033367400000000, 0.0004080900000000 ] - [ 0.0058420600000000, 0.0059028100000000, -0.0067619400000000 ] - [ 0.0000224900000000, 0.0023968600000000, 0.0000036900000000 ] - [ 0.0528966500000000, -0.0974887300000000, 0.0076391300000000 ] - [ 0.0005648600000000, -0.0078324500000000, -0.0013370800000000 ] - [ -0.0000439300000000, 0.0024390000000000, 0.0001608600000000 ] - [ 0.0000965000000000, 0.0020670600000000, -0.0003797900000000 ] - [ -0.0004729700000000, 0.0005293400000000, 0.0015025500000000 ] - [ -0.0003822200000000, -0.0050746200000000, -0.0004927300000000 ] - [ 0.0000046200000000, 0.0026077700000000, -0.0000059900000000 ] - [ 0.0000187800000000, 0.0018852000000000, -0.0001199600000000 ] - [ 0.0000793200000000, 0.0004169700000000, 0.0000818400000000 ] - [ 0.0000009000000000, 0.0022985800000000, 0.0000360800000000 ] - [ 0.0006154900000000, -0.0055257400000000, -0.0013495900000000 ] - [ 0.0045895900000000, 0.0055827900000000, 0.0014466200000000 ] - [ -0.0002484400000000, 0.0028529600000000, -0.0005408000000000 ] - [ -0.0019828300000000, -0.0004026700000000, -0.0002843400000000 ] - [ -0.0000022500000000, 0.0001865800000000, 0.0000065000000000 ] - [ -0.0000481300000000, 0.0025774400000000, 0.0001586600000000 ] - [ -0.0001419100000000, -0.0048239400000000, 0.0010389700000000 ] - [ 0.0023255100000000, 0.0029124300000000, -0.0018177600000000 ] - [ -0.0006910700000000, 0.0034008700000000, 0.0007964900000000 ] - [ 0.0001082500000000, -0.0001226900000000, 0.0009060500000000 ] - [ -0.0002444000000000, 0.0021455500000000, -0.0001612500000000 ] - [ -0.0001063000000000, 0.0024616900000000, -0.0001817400000000 ] - [ -0.0035576000000000, -0.0036196800000000, 0.0069875000000000 ] - [ 0.0001008200000000, 0.0024605700000000, 0.0001535900000000 ] - [ -0.0005104800000000, -0.0034875400000000, 0.0006447600000000 ] - [ -0.0001243000000000, -0.0005203600000000, -0.0023333700000000 ] - [ -0.0000431800000000, 0.0020083300000000, 0.0004143000000000 ] - [ -0.0003674800000000, -0.0003813700000000, 0.0022898900000000 ] - [ 0.0000490400000000, 0.0020853900000000, -0.0006277000000000 ] - [ 0.0000164000000000, 0.0024968700000000, -0.0001454000000000 ] - [ 0.0019245500000000, -0.0043391200000000, -0.0074868800000000 ] - [ 0.0652741700000000, -0.1044666700000000, -0.0629663000000000 ] - [ 0.0000286500000000, 0.0029480000000000, -0.0000664900000000 ] - [ -0.0000777300000000, -0.0007252800000000, -0.0000131500000000 ] - [ 0.0001680500000000, 0.0015865300000000, -0.0000248700000000 ] - [ 0.0027940400000000, -0.0008950400000000, 0.0021996700000000 ] - [ -0.0001772600000000, -0.0009373000000000, -0.0003641800000000 ] - [ -0.0003348500000000, -0.0037082600000000, 0.0000424300000000 ] - [ -0.0031180300000000, -0.0036024600000000, -0.0001558400000000 ] - [ 0.0313384600000000, -0.0260601400000000, -0.0014615400000000 ] - [ 0.0005860200000000, -0.0019319600000000, 0.0001653500000000 ] - [ -0.1684303100000000, 0.2619806200000000, 0.0704259300000000 ] - [ 0.0004686100000000, -0.0017909100000000, -0.0001535300000000 ] - [ -0.0007735000000000, -0.0020326700000000, 0.0001331600000000 ] - [ -0.0017216000000000, -0.0258256600000000, 0.0002774800000000 ] - [ 0.0008656700000000, 0.0048773900000000, -0.0003642500000000 ] - [ -0.0003471900000000, -0.0017650600000000, 0.0005089900000000 ] - [ 0.0003820900000000, -0.0015451900000000, -0.0000561100000000 ] - [ -0.0012314000000000, 0.0011429700000000, -0.0003260600000000 ] - [ -0.0016681000000000, -0.0020395500000000, 0.0008592900000000 ] - [ 0.0003029600000000, -0.0014579100000000, -0.0001428500000000 ] - [ 0.0102657000000000, -0.0008599900000000, -0.0070728100000000 ] - [ -0.0000643700000000, -0.0008617800000000, -0.0002406400000000 ] - [ 0.0006620300000000, 0.0016329700000000, 0.0009093900000000 ] - [ -0.0002067000000000, -0.0017507700000000, 0.0004421700000000 ] - [ 0.0001306900000000, -0.0007312800000000, -0.0000665100000000 ] - [ -0.0000794200000000, -0.0008597000000000, -0.0005439500000000 ] - [ -0.0042991200000000, -0.0019634800000000, 0.0073096000000000 ] - [ -0.0002947100000000, -0.0019860600000000, -0.0005765000000000 ] - [ 0.0000419300000000, -0.0016559100000000, 0.0008731800000000 ] - [ 0.0009897200000000, -0.0021091400000000, -0.0011040100000000 ] - [ 0.0006472700000000, 0.0046364300000000, -0.0003014100000000 ] - [ -0.0002167100000000, -0.0017162600000000, -0.0005114600000000 ] - [ 0.0002161100000000, -0.0016682600000000, 0.0004901100000000 ] - [ -0.0000297300000000, 0.0009831700000000, -0.0019070000000000 ] - [ -0.0014098300000000, -0.0001011500000000, 0.0007019800000000 ] - [ 0.0002237700000000, -0.0008748600000000, -0.0003075900000000 ] - [ 0.0005095700000000, 0.0013787000000000, 0.0015275100000000 ] - [ -0.0000085800000000, -0.0008778100000000, -0.0001260700000000 ] - [ 0.0022437000000000, 0.0014232400000000, -0.0007129100000000 ] - [ 0.0000271900000000, -0.0008867000000000, 0.0001362300000000 ] - [ 0.0005457500000000, 0.0001759600000000, -0.0003297400000000 ] - [ 0.0002362700000000, -0.0007349300000000, 0.0000925700000000 ] - [ -0.0001485800000000, 0.0041048400000000, -0.0024109900000000 ] - [ 0.0002153600000000, -0.0016852500000000, 0.0004635800000000 ] - [ -0.0002167400000000, -0.0016139200000000, -0.0003507900000000 ] - [ 0.0006880200000000, 0.0003129100000000, -0.0011216700000000 ] - [ 0.0001978500000000, 0.0022663600000000, -0.0007787000000000 ] - [ 0.0002804300000000, -0.0015904400000000, 0.0003890100000000 ] - [ -0.0000578800000000, -0.0007699400000000, -0.0005680500000000 ] - [ -0.0002176600000000, -0.0009213900000000, -0.0002132800000000 ] - [ -0.0003379900000000, 0.0020370100000000, -0.0000248100000000 ] - [ 0.0002299100000000, -0.0017502100000000, -0.0005038600000000 ] - [ -0.0001273500000000, -0.0008382200000000, 0.0005249700000000 ] - [ -0.0000592800000000, -0.0007794300000000, 0.0003255600000000 ] - [ 0.0008064300000000, 0.0014988800000000, 0.0004171100000000 ] - [ 0.0000524200000000, -0.0008274000000000, 0.0002483100000000 ] - [ 0.0017637100000000, -0.0012476400000000, -0.0030485600000000 ] - [ -0.0003066400000000, -0.0009889100000000, 0.0005062900000000 ] - [ -0.0003464700000000, -0.0014865800000000, 0.0001260500000000 ] - [ -0.0000438600000000, 0.0006615100000000, 0.0009465000000000 ] - [ -0.0014362200000000, 0.0042978700000000, 0.0012657000000000 ] - [ 0.0003406300000000, -0.0017426100000000, -0.0005057800000000 ] - [ 0.0008557400000000, 0.0109826700000000, -0.0005407700000000 ] - [ -0.0004828000000000, -0.0017357800000000, 0.0001849000000000 ] - [ 0.0006951600000000, -0.0018779500000000, -0.0002853000000000 ] - [ -0.0021031600000000, 0.0012879100000000, 0.0022378700000000 ] - [ 0.0021780100000000, -0.0065524000000000, -0.0158436600000000 ] - [ -0.0006592800000000, -0.0018413800000000, -0.0000549500000000 ] - [ 0.0002196400000000, -0.0026536600000000, -0.0003298800000000 ] - [ 0.0000387500000000, -0.0021407400000000, 0.0019614500000000 ] - [ -0.0016225800000000, -0.0002822500000000, -0.0012660400000000 ] - [ 0.0001102500000000, -0.0009075500000000, 0.0003745800000000 ] - [ 0.0000773100000000, -0.0007239100000000, -0.0000151200000000 ] - [ 0.0062596600000000, -0.0005466500000000, 0.0077978800000000 ]- atom: 55 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0078807200000000, 0.0053666300000000, 0.0061636400000000 ] - [ -0.0000707700000000, -0.0003700400000000, 0.0000776600000000 ] - [ -0.0006112300000000, -0.0002105400000000, 0.0005358700000000 ] - [ -0.0007519700000000, -0.0014629600000000, -0.0004332800000000 ] - [ -0.0005332000000000, -0.0000782500000000, -0.0083482900000000 ] - [ 0.0000310000000000, -0.0003520900000000, -0.0001045000000000 ] - [ 0.0002320700000000, -0.0007069300000000, -0.0006527900000000 ] - [ -0.0000378200000000, 0.0003725300000000, -0.0011240500000000 ] - [ 0.0029418600000000, -0.0037425500000000, 0.0003595300000000 ] - [ -0.0002370200000000, -0.0004479400000000, 0.0001213600000000 ] - [ -0.0000347800000000, -0.0012106700000000, 0.0004140200000000 ] - [ -0.0022898000000000, 0.0004401000000000, 0.0026912800000000 ] - [ -0.0001925000000000, -0.0005473800000000, 0.0000837300000000 ] - [ -0.0208286800000000, 0.0196452500000000, 0.0153940600000000 ] - [ 0.0046465300000000, 0.0023691600000000, -0.0075372800000000 ] - [ 0.0000194000000000, -0.0007267500000000, -0.0000865400000000 ] - [ 0.0002832100000000, -0.0000681600000000, -0.0008955300000000 ] - [ 0.0000998000000000, -0.0016213200000000, -0.0010274600000000 ] - [ -0.0013770500000000, 0.0012935800000000, -0.0017207100000000 ] - [ 0.0000037900000000, -0.0005081800000000, -0.0000121500000000 ] - [ -0.0001114300000000, -0.0005325500000000, -0.0000410200000000 ] - [ -0.0000736300000000, -0.0003398500000000, -0.0005487300000000 ] - [ 0.0002305100000000, -0.0006762600000000, -0.0000149900000000 ] - [ 0.0086040800000000, 0.0114149800000000, 0.0009382000000000 ] - [ -0.0058203400000000, -0.0055918300000000, 0.0024233300000000 ] - [ 0.0000863500000000, -0.0004275600000000, 0.0002434400000000 ] - [ 0.0012948700000000, -0.0001808700000000, 0.0016448600000000 ] - [ 0.0000131600000000, -0.0000714100000000, 0.0000117200000000 ] - [ 0.0000961300000000, -0.0006418300000000, 0.0002755400000000 ] - [ 0.0005164400000000, 0.0002875300000000, 0.0031450300000000 ] - [ 0.0026925700000000, 0.0063676500000000, 0.0042555800000000 ] - [ 0.0001753600000000, -0.0010704300000000, 0.0004364300000000 ] - [ -0.0011217600000000, 0.0011907400000000, -0.0016397000000000 ] - [ -0.0002641000000000, -0.0004703300000000, -0.0000110900000000 ] - [ -0.0000113700000000, -0.0004217700000000, -0.0000340800000000 ] - [ 0.0048988100000000, 0.0008781200000000, -0.0086919900000000 ] - [ 0.0000507800000000, -0.0003975900000000, -0.0000803500000000 ] - [ -0.0004156700000000, -0.0035639100000000, -0.0060109100000000 ] - [ 0.0023006900000000, 0.0000902600000000, -0.0002829100000000 ] - [ 0.0004085500000000, -0.0004761800000000, -0.0001492200000000 ] - [ 0.0013757800000000, -0.0007919700000000, -0.0027282100000000 ] - [ 0.0000400700000000, -0.0004437300000000, -0.0005271400000000 ] - [ -0.0001420000000000, -0.0006925300000000, -0.0002306700000000 ] - [ -0.0027284500000000, 0.0024977000000000, -0.0002240600000000 ] - [ -0.1085452800000000, 0.0951052300000000, 0.1313743500000000 ] - [ -0.0000348300000000, -0.0006094600000000, 0.0000584300000000 ] - [ -0.0001969400000000, 0.0002446500000000, -0.0000643700000000 ] - [ -0.0025258500000000, -0.0011285300000000, -0.0022143600000000 ] - [ -0.0013823900000000, 0.0003850500000000, -0.0010957400000000 ] - [ 0.0001221800000000, 0.0002265600000000, -0.0000777800000000 ] - [ 0.0002925500000000, 0.0017029900000000, -0.0005033200000000 ] - [ 0.0007702300000000, 0.0007009400000000, -0.0004291700000000 ] - [ -0.0058579600000000, 0.0110947600000000, -0.0070982200000000 ] - [ 0.0000325800000000, 0.0003614500000000, -0.0000970900000000 ] - [ 0.1682818300000000, -0.1493182100000000, -0.1775793200000000 ] - [ -0.0002147300000000, 0.0004170300000000, -0.0000073400000000 ] - [ 0.0002939600000000, 0.0005231300000000, -0.0003375000000000 ] - [ 0.0030241600000000, 0.0054847300000000, -0.0054432100000000 ] - [ 0.0019090600000000, -0.0011121200000000, 0.0000819900000000 ] - [ 0.0000298700000000, 0.0003237000000000, -0.0000193700000000 ] - [ -0.0001202200000000, 0.0005072000000000, 0.0000953500000000 ] - [ 0.0003080700000000, 0.0002546600000000, -0.0000075600000000 ] - [ 0.0011171700000000, -0.0007195400000000, -0.0034843400000000 ] - [ 0.0000612500000000, 0.0002957900000000, -0.0002978200000000 ] - [ -0.0137836600000000, 0.0074163900000000, 0.0056766300000000 ] - [ -0.0000023500000000, 0.0001764500000000, -0.0003769800000000 ] - [ 0.0011942600000000, -0.0015051100000000, 0.0008689400000000 ] - [ 0.0000827900000000, 0.0002083600000000, -0.0000569600000000 ] - [ 0.0002286600000000, 0.0000363100000000, 0.0001849000000000 ] - [ 0.0001371000000000, 0.0004321700000000, 0.0002053000000000 ] - [ -0.0044207200000000, -0.0107160900000000, 0.0053931300000000 ] - [ 0.0000717800000000, 0.0004875600000000, 0.0001508300000000 ] - [ 0.0000991000000000, -0.0017294300000000, -0.0000940600000000 ] - [ -0.0001242800000000, 0.0009211100000000, -0.0001275300000000 ] - [ -0.0006335000000000, 0.0010986400000000, 0.0083948000000000 ] - [ 0.0001107200000000, 0.0003798000000000, 0.0001047600000000 ] - [ 0.0000119800000000, 0.0000582800000000, 0.0000449000000000 ] - [ -0.0000396500000000, 0.0009475400000000, 0.0013173500000000 ] - [ -0.0026848400000000, -0.0009569700000000, 0.0000616800000000 ] - [ -0.0004721800000000, 0.0002817300000000, -0.0000165300000000 ] - [ 0.0015377900000000, 0.0000917000000000, 0.0009100800000000 ] - [ 0.0001235500000000, 0.0001778300000000, -0.0000478800000000 ] - [ -0.0028700500000000, -0.0002520100000000, 0.0005124400000000 ] - [ -0.0001022300000000, 0.0001824600000000, 0.0000660800000000 ] - [ -0.0000607500000000, -0.0002911400000000, 0.0010061500000000 ] - [ 0.0002857900000000, 0.0001921700000000, 0.0001338500000000 ] - [ -0.0018345000000000, -0.0014838300000000, 0.0041388700000000 ] - [ -0.0001130400000000, 0.0003790100000000, -0.0000556700000000 ] - [ -0.0000350200000000, 0.0002095500000000, 0.0002823100000000 ] - [ -0.0005170300000000, 0.0010259800000000, 0.0024577900000000 ] - [ -0.0022110900000000, 0.0002384700000000, 0.0035844100000000 ] - [ -0.0000564200000000, 0.0003097400000000, -0.0000571100000000 ] - [ -0.0001832800000000, 0.0006156500000000, 0.0008474500000000 ] - [ -0.0000515500000000, 0.0004679700000000, 0.0006291800000000 ] - [ 0.0000588500000000, -0.0004932800000000, 0.0011672000000000 ] - [ -0.0001025200000000, 0.0002259500000000, 0.0001033200000000 ] - [ -0.0002689100000000, 0.0001824700000000, 0.0001978900000000 ] - [ -0.0000989100000000, 0.0003726100000000, 0.0000568200000000 ] - [ -0.0034262800000000, -0.0008511700000000, 0.0038219500000000 ] - [ -0.0000540700000000, 0.0002104300000000, 0.0004278600000000 ] - [ -0.0010556500000000, 0.0008477000000000, 0.0012749200000000 ] - [ -0.0000372100000000, 0.0000762200000000, 0.0001144800000000 ] - [ 0.0002004100000000, 0.0005568600000000, -0.0000623800000000 ] - [ 0.0004012700000000, -0.0004332200000000, 0.0001464900000000 ] - [ 0.0019528200000000, -0.0014832400000000, 0.0012515700000000 ] - [ -0.0000209800000000, 0.0003343000000000, 0.0000219500000000 ] - [ -0.0221918100000000, -0.0007246100000000, 0.0206805500000000 ] - [ 0.0002401300000000, 0.0004506200000000, -0.0000281100000000 ] - [ -0.0002584000000000, 0.0007081800000000, 0.0001094700000000 ] - [ 0.0006530900000000, -0.0035522400000000, -0.0003619900000000 ] - [ 0.0018166300000000, 0.0136426100000000, 0.0086279500000000 ] - [ 0.0000072900000000, 0.0003206700000000, 0.0000343500000000 ] - [ 0.0001548700000000, 0.0024053300000000, -0.0002102900000000 ] - [ 0.0004419700000000, 0.0000668300000000, -0.0004325200000000 ] - [ 0.0016385200000000, 0.0004083600000000, 0.0012358700000000 ] - [ -0.0001076600000000, 0.0001817200000000, 0.0000748600000000 ] - [ 0.0001875700000000, 0.0002373200000000, 0.0000100500000000 ] - [ 0.0033093300000000, -0.0012005600000000, -0.0033126000000000 ]- atom: 55 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0076686100000000, -0.0051334400000000, -0.0063442000000000 ] - [ 0.0000472700000000, 0.0004203300000000, 0.0000336700000000 ] - [ 0.0005887500000000, 0.0001524700000000, -0.0005020200000000 ] - [ 0.0007182900000000, 0.0014014900000000, 0.0004403600000000 ] - [ 0.0005422400000000, 0.0001051100000000, 0.0081833100000000 ] - [ -0.0000001300000000, 0.0003953000000000, -0.0000203000000000 ] - [ -0.0002174700000000, 0.0006489000000000, 0.0006295800000000 ] - [ 0.0000483700000000, -0.0004196300000000, 0.0011064600000000 ] - [ -0.0033263000000000, 0.0038123800000000, -0.0004288600000000 ] - [ -0.0001328700000000, 0.0004813200000000, -0.0001950200000000 ] - [ 0.0000369800000000, 0.0015352800000000, -0.0004097600000000 ] - [ 0.0022531400000000, -0.0001316800000000, -0.0026485000000000 ] - [ 0.0000181700000000, 0.0005561300000000, -0.0001001400000000 ] - [ 0.0204398800000000, -0.0195521700000000, -0.0152106500000000 ] - [ -0.0046528000000000, -0.0026507800000000, 0.0075394800000000 ] - [ -0.0000193900000000, 0.0004536300000000, 0.0000856800000000 ] - [ -0.0002829900000000, -0.0002515000000000, 0.0008944200000000 ] - [ -0.0000973800000000, 0.0013192600000000, 0.0010196400000000 ] - [ 0.0013723400000000, -0.0010851800000000, 0.0017086100000000 ] - [ -0.0000035000000000, 0.0007035700000000, 0.0000115100000000 ] - [ 0.0001113200000000, 0.0002955600000000, 0.0000392600000000 ] - [ 0.0000727700000000, 0.0001065400000000, 0.0005490200000000 ] - [ -0.0000554400000000, 0.0006846700000000, 0.0000316200000000 ] - [ -0.0083857900000000, -0.0113070200000000, -0.0008921300000000 ] - [ 0.0061683400000000, 0.0056187600000000, -0.0023340900000000 ] - [ 0.0002813100000000, 0.0004607900000000, -0.0001659200000000 ] - [ -0.0012796400000000, 0.0001328300000000, -0.0016517100000000 ] - [ -0.0000139900000000, 0.0000203900000000, -0.0000108900000000 ] - [ -0.0000444900000000, 0.0006489800000000, 0.0001408500000000 ] - [ -0.0004850100000000, -0.0002791600000000, -0.0027192400000000 ] - [ -0.0026537500000000, -0.0063829000000000, -0.0035609900000000 ] - [ -0.0001313600000000, 0.0010545200000000, 0.0002766600000000 ] - [ 0.0006640500000000, -0.0009352400000000, 0.0017900400000000 ] - [ -0.0001959000000000, 0.0007236700000000, 0.0001669900000000 ] - [ -0.0001808400000000, 0.0004557900000000, -0.0001522500000000 ] - [ -0.0050940000000000, -0.0008230900000000, 0.0084894000000000 ] - [ 0.0001419000000000, 0.0004317900000000, 0.0002654500000000 ] - [ 0.0006332200000000, 0.0036305000000000, 0.0062018100000000 ] - [ -0.0018460600000000, 0.0001621700000000, 0.0001204500000000 ] - [ 0.0000527700000000, 0.0007314000000000, -0.0000090100000000 ] - [ -0.0014089900000000, 0.0007645800000000, 0.0020209100000000 ] - [ -0.0000803900000000, 0.0004359300000000, -0.0001885000000000 ] - [ 0.0000896600000000, 0.0006989100000000, -0.0001869500000000 ] - [ 0.0026550600000000, -0.0024658300000000, -0.0001295400000000 ] - [ 0.1031380400000000, -0.0885056800000000, -0.1260778200000000 ] - [ 0.0000344900000000, 0.0006685900000000, -0.0000586400000000 ] - [ -0.0000814700000000, -0.0001696400000000, 0.0000329400000000 ] - [ 0.0022475700000000, 0.0011936700000000, 0.0021632100000000 ] - [ 0.0016696500000000, -0.0003986500000000, 0.0010014600000000 ] - [ 0.0001599000000000, -0.0002366000000000, -0.0000188000000000 ] - [ -0.0002699000000000, -0.0016228700000000, 0.0003435700000000 ] - [ -0.0007317800000000, -0.0006048300000000, 0.0002672400000000 ] - [ 0.0061912700000000, -0.0111808000000000, 0.0069493200000000 ] - [ 0.0002258300000000, -0.0004230200000000, 0.0000527400000000 ] - [ -0.1623515300000000, 0.1421425200000000, 0.1720940000000000 ] - [ 0.0000023500000000, -0.0004008200000000, -0.0000130900000000 ] - [ -0.0004437100000000, -0.0005608800000000, 0.0003360400000000 ] - [ -0.0031752100000000, -0.0054156500000000, 0.0054708500000000 ] - [ -0.0019680800000000, 0.0009361700000000, 0.0001233800000000 ] - [ -0.0001046100000000, -0.0004923400000000, 0.0002108900000000 ] - [ 0.0000741300000000, -0.0003065000000000, 0.0001417700000000 ] - [ -0.0003463900000000, -0.0000586700000000, 0.0002437800000000 ] - [ -0.0010146500000000, 0.0006194300000000, 0.0032569200000000 ] - [ 0.0000401400000000, -0.0003874600000000, 0.0000722200000000 ] - [ 0.0138542600000000, -0.0074670700000000, -0.0062869800000000 ] - [ -0.0000291300000000, -0.0001441700000000, -0.0002580000000000 ] - [ -0.0011541500000000, 0.0011278900000000, -0.0008015200000000 ] - [ -0.0000404600000000, -0.0005800300000000, 0.0001188900000000 ] - [ -0.0001925700000000, 0.0000935400000000, -0.0001918700000000 ] - [ -0.0000995800000000, -0.0003040500000000, -0.0002126000000000 ] - [ 0.0044183400000000, 0.0107472900000000, -0.0054000200000000 ] - [ -0.0000966000000000, -0.0005577000000000, -0.0001115600000000 ] - [ -0.0001545600000000, 0.0019300100000000, -0.0000483700000000 ] - [ 0.0000651700000000, -0.0007250700000000, -0.0000086500000000 ] - [ 0.0007054300000000, -0.0010834800000000, -0.0085076000000000 ] - [ -0.0000286800000000, -0.0003512800000000, -0.0001517400000000 ] - [ -0.0000913500000000, -0.0001139900000000, -0.0001336700000000 ] - [ -0.0000406700000000, -0.0010190000000000, -0.0013970600000000 ] - [ 0.0020747000000000, 0.0009307400000000, -0.0001956900000000 ] - [ -0.0001457200000000, -0.0003097900000000, -0.0001188300000000 ] - [ -0.0015170500000000, -0.0001279800000000, -0.0011192500000000 ] - [ -0.0000806100000000, -0.0002049700000000, -0.0001458400000000 ] - [ 0.0028408200000000, 0.0002227900000000, -0.0003207700000000 ] - [ 0.0000594300000000, -0.0002098600000000, 0.0001274100000000 ] - [ 0.0006720000000000, 0.0002662000000000, -0.0008707900000000 ] - [ 0.0003287400000000, -0.0002203200000000, 0.0000017500000000 ] - [ 0.0017557900000000, 0.0014997300000000, -0.0040745100000000 ] - [ 0.0000304800000000, -0.0003513900000000, 0.0001032600000000 ] - [ 0.0001150700000000, -0.0002646100000000, -0.0001945300000000 ] - [ 0.0005953300000000, -0.0010936700000000, -0.0023725700000000 ] - [ 0.0022326800000000, -0.0002950700000000, -0.0036192900000000 ] - [ 0.0000835200000000, -0.0003820600000000, 0.0000159500000000 ] - [ 0.0002364100000000, -0.0004170100000000, -0.0007025100000000 ] - [ 0.0001039000000000, -0.0002788600000000, -0.0004839700000000 ] - [ -0.0000969800000000, 0.0001186000000000, -0.0012245100000000 ] - [ 0.0000584000000000, -0.0005982200000000, -0.0001656400000000 ] - [ 0.0002334800000000, -0.0000520800000000, -0.0001896500000000 ] - [ 0.0000640100000000, -0.0002450300000000, -0.0000492800000000 ] - [ 0.0034319600000000, 0.0008609300000000, -0.0031929100000000 ] - [ 0.0000854700000000, -0.0001787700000000, 0.0002074000000000 ] - [ 0.0009575700000000, -0.0009417300000000, -0.0010622700000000 ] - [ -0.0000633000000000, -0.0001708700000000, 0.0001091200000000 ] - [ -0.0001525900000000, -0.0003547400000000, -0.0001755100000000 ] - [ -0.0003504200000000, 0.0006310100000000, -0.0003936100000000 ] - [ -0.0018604300000000, 0.0012992800000000, -0.0014439000000000 ] - [ 0.0000958000000000, -0.0005039600000000, -0.0002126500000000 ] - [ 0.0219185100000000, 0.0007559200000000, -0.0202241600000000 ] - [ -0.0000291800000000, -0.0004350800000000, 0.0000471800000000 ] - [ 0.0004074000000000, -0.0007447800000000, -0.0001102200000000 ] - [ -0.0004878600000000, 0.0034852500000000, 0.0003490900000000 ] - [ -0.0020345800000000, -0.0135305800000000, -0.0085168800000000 ] - [ -0.0002647100000000, -0.0003832900000000, 0.0000101500000000 ] - [ -0.0001795800000000, -0.0023101700000000, 0.0003657900000000 ] - [ -0.0004621100000000, 0.0000206500000000, 0.0005832100000000 ] - [ -0.0019134200000000, -0.0004178200000000, -0.0011351900000000 ] - [ -0.0001735700000000, -0.0001918800000000, 0.0000208400000000 ] - [ 0.0000908000000000, -0.0001626500000000, 0.0000205200000000 ] - [ -0.0030875600000000, 0.0013119400000000, 0.0032675000000000 ]- atom: 57 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0005246600000000, -0.0006236900000000, -0.0004721400000000 ] - [ 0.0010409900000000, 0.0002178700000000, 0.0002851400000000 ] - [ 0.0131863000000000, 0.0042006500000000, -0.0006813400000000 ] - [ 0.0000465400000000, -0.0004728700000000, -0.0000061700000000 ] - [ 0.0000565000000000, -0.0003013300000000, 0.0000924900000000 ] - [ 0.0002882800000000, -0.0001672600000000, 0.0007253600000000 ] - [ 0.0016296400000000, -0.0004380000000000, 0.0028232900000000 ] - [ 0.0000129800000000, -0.0004626400000000, 0.0000196200000000 ] - [ -0.0045536200000000, -0.0056994900000000, 0.0011160500000000 ] - [ -0.0002357100000000, -0.0003598300000000, -0.0000576600000000 ] - [ 0.0554761300000000, 0.0391869800000000, -0.0360543900000000 ] - [ 0.0000524700000000, -0.0004335800000000, 0.0000021600000000 ] - [ 0.0784018700000000, 0.0778286300000000, 0.0163061200000000 ] - [ 0.0000426100000000, -0.0005977800000000, -0.0000386400000000 ] - [ -0.0000949200000000, -0.0004112300000000, 0.0004345700000000 ] - [ 0.0007660700000000, -0.0014284700000000, 0.0011463700000000 ] - [ 0.0001958900000000, 0.0018755100000000, 0.0043458400000000 ] - [ -0.0000057800000000, -0.0008448900000000, 0.0000717600000000 ] - [ -0.0001119100000000, -0.0005462900000000, -0.0003007700000000 ] - [ -0.0006005000000000, -0.0000180800000000, -0.0012516600000000 ] - [ -0.0016445600000000, 0.0002255300000000, -0.0036442800000000 ] - [ -0.0000258200000000, -0.0008038600000000, -0.0000354400000000 ] - [ -0.0054471900000000, 0.0064544000000000, 0.0018274900000000 ] - [ -0.0000148900000000, -0.0006997200000000, 0.0000709500000000 ] - [ 0.0015929600000000, 0.0007485700000000, -0.0009849000000000 ] - [ 0.0003578900000000, -0.0006424500000000, -0.0001007000000000 ] - [ -0.0000336100000000, -0.0000759600000000, 0.0000004200000000 ] - [ -0.0037331600000000, -0.0000744600000000, -0.0006639400000000 ] - [ -0.0066538900000000, 0.0053303600000000, -0.0011976400000000 ] - [ -0.0000806400000000, -0.0008097500000000, 0.0001609100000000 ] - [ -0.0003907500000000, 0.0029256800000000, 0.0006345900000000 ] - [ 0.0000133200000000, -0.0010911800000000, 0.0003827200000000 ] - [ -0.0002546800000000, -0.0004324200000000, -0.0008689400000000 ] - [ -0.0002675700000000, -0.0004451400000000, -0.0001153700000000 ] - [ -0.0069025300000000, 0.0019127100000000, 0.0100646200000000 ] - [ -0.0001745600000000, -0.0005631200000000, -0.0001409200000000 ] - [ -0.0011945100000000, 0.0010565800000000, 0.0005540700000000 ] - [ 0.0001024400000000, -0.0005810200000000, 0.0001873400000000 ] - [ -0.0019523800000000, 0.0003482700000000, -0.0011821600000000 ] - [ -0.0000491800000000, -0.0005912800000000, -0.0000618100000000 ] - [ -0.0002431600000000, -0.0001436500000000, 0.0019048000000000 ] - [ -0.0000560100000000, -0.0006031600000000, -0.0002231200000000 ] - [ 0.0021202800000000, 0.0015478900000000, -0.0094729600000000 ] - [ -0.0000135600000000, -0.0006362000000000, -0.0002051900000000 ] - [ 0.0011656500000000, -0.0013718900000000, 0.0010301200000000 ] - [ 0.0022823300000000, 0.0002600500000000, -0.0015579200000000 ] - [ 0.0035143800000000, -0.0014336500000000, -0.0001755900000000 ] - [ -0.0000851500000000, 0.0002787200000000, -0.0000074000000000 ] - [ 0.0026293100000000, 0.0009119900000000, 0.0015474800000000 ] - [ 0.0002637000000000, 0.0001951200000000, 0.0000094400000000 ] - [ 0.0124538800000000, 0.0224181900000000, -0.0005698800000000 ] - [ 0.0000880300000000, 0.0004242000000000, -0.0000619800000000 ] - [ -0.0006417700000000, 0.0028574700000000, -0.0004591600000000 ] - [ -0.0006128700000000, 0.0004448200000000, 0.0001060300000000 ] - [ -0.0007387900000000, 0.0007071000000000, 0.0000545900000000 ] - [ -0.0055722500000000, 0.0016112800000000, 0.0004366100000000 ] - [ -0.1688408100000000, -0.1585277300000000, 0.0289985600000000 ] - [ 0.0000095100000000, 0.0004317400000000, 0.0000091400000000 ] - [ 0.0001263900000000, 0.0004803400000000, 0.0001263200000000 ] - [ 0.0005854000000000, -0.0016460700000000, 0.0010858100000000 ] - [ 0.0056976700000000, -0.0011990100000000, 0.0041440100000000 ] - [ -0.0000961800000000, 0.0005870900000000, 0.0002571300000000 ] - [ -0.0006458400000000, -0.0014121000000000, 0.0002671300000000 ] - [ -0.0000292400000000, 0.0003401800000000, -0.0000353800000000 ] - [ -0.0000279700000000, 0.0002063300000000, -0.0002803500000000 ] - [ 0.0142324500000000, 0.0086871400000000, -0.0100134500000000 ] - [ 0.0000788900000000, 0.0002003400000000, 0.0003317400000000 ] - [ -0.0000367200000000, -0.0000750000000000, 0.0002018300000000 ] - [ 0.0000503900000000, 0.0005253100000000, 0.0017822500000000 ] - [ -0.0000374100000000, 0.0004939900000000, 0.0001435800000000 ] - [ -0.0003006000000000, -0.0007599100000000, -0.0001688000000000 ] - [ -0.0001430300000000, 0.0006950400000000, -0.0000043200000000 ] - [ -0.0012812800000000, -0.0043413200000000, -0.0026723000000000 ] - [ -0.0001360500000000, 0.0006669400000000, -0.0002345800000000 ] - [ 0.0000037400000000, 0.0002976900000000, 0.0000139000000000 ] - [ -0.0004030000000000, -0.0001331900000000, -0.0006237600000000 ] - [ -0.0015466600000000, -0.0008977700000000, -0.0003547900000000 ] - [ -0.0001178900000000, 0.0004206500000000, -0.0001791400000000 ] - [ 0.0010018100000000, -0.0004796400000000, -0.0003620600000000 ] - [ -0.0001779600000000, 0.0003397200000000, -0.0001281100000000 ] - [ -0.0000019900000000, 0.0002089400000000, -0.0001030200000000 ] - [ 0.0014254600000000, -0.0005464100000000, 0.0022496800000000 ] - [ 0.0000744900000000, 0.0002286400000000, 0.0001327200000000 ] - [ 0.0052438300000000, -0.0011751500000000, -0.0000788700000000 ] - [ 0.0004852500000000, -0.0000290200000000, -0.0003048900000000 ] - [ 0.0002987800000000, 0.0002080700000000, 0.0000659500000000 ] - [ -0.0000432700000000, 0.0003681600000000, -0.0001566400000000 ] - [ 0.0005668900000000, 0.0010575700000000, -0.0027724300000000 ] - [ 0.0007315600000000, -0.0020438700000000, -0.0036022400000000 ] - [ 0.0001215300000000, 0.0004167000000000, 0.0001467900000000 ] - [ -0.0000766600000000, 0.0004039500000000, -0.0006446900000000 ] - [ -0.0000855300000000, 0.0004417100000000, -0.0004607800000000 ] - [ 0.0003548100000000, -0.0000084700000000, -0.0016026700000000 ] - [ 0.0000972700000000, 0.0005214400000000, 0.0001350100000000 ] - [ 0.0002554300000000, 0.0000760100000000, 0.0003326700000000 ] - [ 0.0001290700000000, 0.0002876800000000, 0.0002093500000000 ] - [ 0.0006868300000000, -0.0003522800000000, 0.0005525800000000 ] - [ 0.0000876000000000, 0.0005481400000000, -0.0001181400000000 ] - [ 0.0000638500000000, 0.0002409000000000, 0.0002417800000000 ] - [ 0.0022472500000000, -0.0009872700000000, -0.0004914000000000 ] - [ 0.0010995800000000, 0.0009526300000000, -0.0022466800000000 ] - [ -0.0000279700000000, 0.0001326400000000, 0.0000618400000000 ] - [ -0.0008394800000000, -0.0019029900000000, 0.0023266700000000 ] - [ 0.0001003500000000, 0.0005408600000000, -0.0002285800000000 ] - [ -0.0000408100000000, 0.0003175600000000, 0.0000204900000000 ] - [ -0.0005340600000000, 0.0005799100000000, 0.0016248200000000 ] - [ 0.0001742500000000, 0.0006281800000000, -0.0003339900000000 ] - [ -0.0008781200000000, -0.0021562900000000, 0.0001009300000000 ] - [ 0.0053472100000000, -0.0009740200000000, -0.0142430200000000 ] - [ -0.0000514400000000, 0.0004432700000000, -0.0000096800000000 ] - [ -0.0005507700000000, 0.0000883400000000, -0.0001440400000000 ] - [ -0.0006168100000000, 0.0001392000000000, 0.0001642700000000 ] - [ -0.0045280000000000, -0.0001106300000000, -0.0004616500000000 ] - [ -0.0001647800000000, 0.0004734600000000, 0.0000845000000000 ] - [ -0.0000539400000000, -0.0000122700000000, 0.0006696400000000 ] - [ -0.0001123600000000, 0.0002967900000000, 0.0001680600000000 ] - [ 0.0050205700000000, 0.0054114100000000, 0.0106666500000000 ] - [ 0.0001093100000000, 0.0002215200000000, -0.0000042600000000 ]- atom: 57 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0005500300000000, 0.0006733300000000, 0.0005841500000000 ] - [ -0.0010749500000000, -0.0001614900000000, -0.0001844600000000 ] - [ -0.0133016700000000, -0.0044536900000000, 0.0004094500000000 ] - [ -0.0000723300000000, 0.0004168800000000, 0.0000320600000000 ] - [ -0.0000258300000000, 0.0003435500000000, -0.0002146600000000 ] - [ -0.0002538400000000, 0.0002109800000000, -0.0008448300000000 ] - [ -0.0016194200000000, 0.0004054100000000, -0.0028190600000000 ] - [ 0.0000038000000000, 0.0004092000000000, -0.0000317400000000 ] - [ 0.0041849700000000, 0.0057251300000000, -0.0011948900000000 ] - [ -0.0001308000000000, 0.0003970500000000, -0.0000189200000000 ] - [ -0.0559504500000000, -0.0402827600000000, 0.0375667000000000 ] - [ -0.0000527800000000, 0.0007621900000000, -0.0000017800000000 ] - [ -0.0770190700000000, -0.0742708600000000, -0.0156403100000000 ] - [ -0.0002199100000000, 0.0006103200000000, 0.0000239900000000 ] - [ 0.0000956500000000, 0.0001366600000000, -0.0004358500000000 ] - [ -0.0007568200000000, 0.0011472700000000, -0.0011427200000000 ] - [ -0.0001733200000000, -0.0021643100000000, -0.0043482600000000 ] - [ 0.0000057300000000, 0.0005312600000000, -0.0000721000000000 ] - [ 0.0001119000000000, 0.0007422600000000, 0.0003017500000000 ] - [ 0.0005983800000000, 0.0002080100000000, 0.0012525900000000 ] - [ 0.0016452500000000, -0.0004371600000000, 0.0036572300000000 ] - [ 0.0000251600000000, 0.0005691900000000, 0.0000355300000000 ] - [ 0.0056166200000000, -0.0064397100000000, -0.0018372000000000 ] - [ 0.0001927400000000, 0.0007120900000000, -0.0000556500000000 ] - [ -0.0012058400000000, -0.0007384300000000, 0.0010590400000000 ] - [ 0.0000083300000000, 0.0006790600000000, 0.0001787600000000 ] - [ 0.0000329800000000, 0.0000249500000000, 0.0000004400000000 ] - [ 0.0037200100000000, 0.0000212000000000, 0.0006538400000000 ] - [ 0.0067162300000000, -0.0053389300000000, 0.0016208000000000 ] - [ 0.0001319900000000, 0.0008187700000000, 0.0002519700000000 ] - [ 0.0004482200000000, -0.0029515700000000, 0.0000781200000000 ] - [ 0.0000320300000000, 0.0010790600000000, 0.0003251100000000 ] - [ -0.0002006000000000, 0.0006915100000000, 0.0010362300000000 ] - [ -0.0001885500000000, 0.0006963200000000, 0.0002767000000000 ] - [ 0.0066937300000000, -0.0018617200000000, -0.0101980500000000 ] - [ -0.0000122600000000, 0.0005994600000000, -0.0000496600000000 ] - [ 0.0013761300000000, -0.0009995100000000, -0.0003812700000000 ] - [ 0.0000855600000000, 0.0006170000000000, 0.0000032800000000 ] - [ 0.0024136700000000, -0.0000876700000000, 0.0010221600000000 ] - [ 0.0005045200000000, 0.0008412500000000, -0.0001007000000000 ] - [ 0.0001965200000000, 0.0001313000000000, -0.0026178300000000 ] - [ 0.0000128400000000, 0.0005900100000000, -0.0004856700000000 ] - [ -0.0021639000000000, -0.0015301000000000, 0.0090345500000000 ] - [ -0.0000377300000000, 0.0006447600000000, -0.0002084600000000 ] - [ -0.0011713300000000, 0.0014281500000000, -0.0010360200000000 ] - [ -0.0023129300000000, -0.0001819200000000, 0.0015876800000000 ] - [ -0.0037978800000000, 0.0015092300000000, 0.0001509100000000 ] - [ -0.0001897800000000, -0.0002064400000000, -0.0000270300000000 ] - [ -0.0023535900000000, -0.0009257100000000, -0.0016385000000000 ] - [ 0.0000170800000000, -0.0002050300000000, -0.0000956400000000 ] - [ -0.0124826600000000, -0.0225715400000000, 0.0004114400000000 ] - [ -0.0000606200000000, -0.0003397600000000, -0.0000942000000000 ] - [ 0.0009013500000000, -0.0029263200000000, 0.0004208700000000 ] - [ 0.0008797700000000, -0.0005125100000000, -0.0001441800000000 ] - [ 0.0005283600000000, -0.0006877000000000, -0.0000680100000000 ] - [ 0.0053531200000000, -0.0016778200000000, -0.0004630500000000 ] - [ 0.1676463600000000, 0.1566815600000000, -0.0309704000000000 ] - [ -0.0001597400000000, -0.0004737700000000, -0.0000087000000000 ] - [ -0.0002042800000000, -0.0006505000000000, 0.0000679100000000 ] - [ -0.0006587000000000, 0.0014835500000000, -0.0008928200000000 ] - [ -0.0057752000000000, 0.0013801500000000, -0.0039447400000000 ] - [ 0.0000492600000000, -0.0003906200000000, -0.0000179200000000 ] - [ 0.0007463000000000, 0.0013214200000000, -0.0004848800000000 ] - [ 0.0001370900000000, -0.0004355300000000, -0.0001842900000000 ] - [ -0.0000009800000000, -0.0001750200000000, -0.0003443800000000 ] - [ -0.0141309500000000, -0.0085323400000000, 0.0093008800000000 ] - [ -0.0000338300000000, -0.0005704700000000, -0.0002721900000000 ] - [ 0.0000830500000000, -0.0002911900000000, -0.0001414300000000 ] - [ -0.0000067000000000, -0.0004060600000000, -0.0017954500000000 ] - [ 0.0000765700000000, -0.0003659100000000, -0.0001530200000000 ] - [ 0.0002790300000000, 0.0006974700000000, 0.0002122900000000 ] - [ 0.0001166600000000, -0.0007626200000000, 0.0000507200000000 ] - [ 0.0011932900000000, 0.0045471400000000, 0.0025490100000000 ] - [ 0.0000831700000000, -0.0004755800000000, 0.0000940400000000 ] - [ 0.0000770400000000, -0.0002688800000000, -0.0000595200000000 ] - [ 0.0004804400000000, 0.0001572300000000, 0.0005774400000000 ] - [ 0.0014618900000000, 0.0008204300000000, 0.0002943800000000 ] - [ 0.0000379400000000, -0.0004829200000000, 0.0000922500000000 ] - [ -0.0016258300000000, 0.0004536800000000, 0.0002391100000000 ] - [ -0.0004361900000000, -0.0003640400000000, 0.0000057000000000 ] - [ 0.0000445900000000, -0.0002392000000000, -0.0000964600000000 ] - [ -0.0013718900000000, 0.0005117700000000, -0.0024398100000000 ] - [ -0.0001180900000000, -0.0002587100000000, 0.0000668900000000 ] - [ -0.0052754400000000, 0.0011437200000000, 0.0002729600000000 ] - [ 0.0001286500000000, 0.0000029800000000, 0.0004293900000000 ] - [ 0.0003137300000000, -0.0002322700000000, 0.0000568800000000 ] - [ -0.0000379800000000, -0.0003398000000000, 0.0002035100000000 ] - [ -0.0006484200000000, -0.0010220300000000, 0.0028019600000000 ] - [ -0.0006551000000000, 0.0019640800000000, 0.0036752000000000 ] - [ -0.0000401500000000, -0.0004790200000000, -0.0000610400000000 ] - [ 0.0001011300000000, -0.0004714300000000, 0.0006017700000000 ] - [ 0.0001083600000000, -0.0005060500000000, 0.0004140300000000 ] - [ -0.0003033700000000, 0.0001938600000000, 0.0017445200000000 ] - [ -0.0000462200000000, -0.0003291600000000, 0.0000070800000000 ] - [ -0.0003022700000000, -0.0004468300000000, -0.0003948900000000 ] - [ -0.0001747100000000, -0.0006523200000000, -0.0002690400000000 ] - [ -0.0007293400000000, 0.0004707200000000, -0.0005488000000000 ] - [ -0.0001253500000000, -0.0004194600000000, 0.0001275500000000 ] - [ -0.0000349500000000, -0.0002103700000000, 0.0003836900000000 ] - [ -0.0022134700000000, 0.0010111300000000, 0.0011284500000000 ] - [ -0.0012079000000000, -0.0010484800000000, 0.0024728700000000 ] - [ -0.0000801300000000, -0.0002272300000000, 0.0001575400000000 ] - [ 0.0008824200000000, 0.0020881500000000, -0.0025679200000000 ] - [ -0.0000526700000000, -0.0003439200000000, -0.0000116600000000 ] - [ 0.0001182500000000, -0.0004875600000000, -0.0002138200000000 ] - [ 0.0006096100000000, -0.0007477500000000, -0.0018136100000000 ] - [ 0.0000381700000000, -0.0006083400000000, 0.0003492700000000 ] - [ 0.0010949600000000, 0.0021757200000000, -0.0000923600000000 ] - [ -0.0051725700000000, 0.0009100500000000, 0.0143560800000000 ] - [ 0.0002026400000000, -0.0004851800000000, 0.0000095500000000 ] - [ 0.0002964900000000, -0.0001398800000000, 0.0001866600000000 ] - [ 0.0003607600000000, -0.0002048600000000, -0.0001333400000000 ] - [ 0.0045149200000000, 0.0002396900000000, 0.0005664400000000 ] - [ 0.0001373300000000, -0.0003884100000000, 0.0000714600000000 ] - [ -0.0002331200000000, 0.0000021200000000, -0.0005866400000000 ] - [ -0.0001674300000000, -0.0003072100000000, -0.0000810900000000 ] - [ -0.0047165800000000, -0.0052864700000000, -0.0105509600000000 ] - [ 0.0001656900000000, -0.0001493900000000, 0.0000390100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001455000000000, -0.0018233800000000, -0.0006115200000000 ] - [ 0.0020882100000000, -0.0027218200000000, 0.0045018700000000 ] - [ 0.0040066900000000, 0.0167741300000000, -0.0003525500000000 ] - [ 0.0000379200000000, -0.0016897500000000, 0.0001221100000000 ] - [ -0.0000372000000000, -0.0014287700000000, 0.0003946900000000 ] - [ 0.0000181500000000, -0.0001236000000000, -0.0013036200000000 ] - [ -0.0009160100000000, 0.0044372100000000, 0.0023877700000000 ] - [ 0.0000308100000000, -0.0016253400000000, -0.0001067700000000 ] - [ -0.0046560100000000, -0.0064940000000000, 0.0012044300000000 ] - [ 0.0008599500000000, -0.0029714900000000, -0.0000451000000000 ] - [ 0.0379215500000000, 0.0669773900000000, -0.0416691100000000 ] - [ 0.0000339300000000, -0.0022267700000000, -0.0000342600000000 ] - [ 0.0797669400000000, 0.1241406300000000, 0.0201745400000000 ] - [ 0.0000673500000000, -0.0023442500000000, -0.0000234500000000 ] - [ 0.0001572400000000, -0.0024692100000000, -0.0005698400000000 ] - [ -0.0004827100000000, -0.0008109800000000, 0.0013304700000000 ] - [ 0.0012886300000000, 0.0073881400000000, -0.0027224600000000 ] - [ -0.0000362900000000, -0.0026334300000000, 0.0001350400000000 ] - [ -0.0000216500000000, -0.0019600200000000, -0.0001294400000000 ] - [ 0.0000770200000000, -0.0003476200000000, 0.0001546000000000 ] - [ -0.0006729800000000, 0.0047704700000000, -0.0006764700000000 ] - [ 0.0000012100000000, -0.0025153300000000, -0.0000088800000000 ] - [ 0.0012850700000000, 0.0049917100000000, -0.0015203800000000 ] - [ -0.0000491100000000, -0.0022186600000000, 0.0000675700000000 ] - [ 0.0028057800000000, -0.0041178000000000, 0.0019502200000000 ] - [ -0.0005474200000000, -0.0029583400000000, -0.0005342700000000 ] - [ 0.0000028700000000, -0.0002296800000000, 0.0000104400000000 ] - [ -0.0017257200000000, 0.0002868800000000, -0.0004167500000000 ] - [ -0.0000915100000000, 0.0051265000000000, 0.0012081100000000 ] - [ 0.0000031500000000, -0.0024875300000000, 0.0001289900000000 ] - [ 0.0029070600000000, -0.0043683300000000, -0.0011346100000000 ] - [ -0.0006069700000000, -0.0031637400000000, 0.0009149100000000 ] - [ -0.0000323600000000, 0.0002063600000000, 0.0005680700000000 ] - [ -0.0002850600000000, -0.0018183900000000, -0.0001951800000000 ] - [ -0.0035191800000000, 0.0042828100000000, 0.0069572600000000 ] - [ -0.0000666000000000, -0.0024012400000000, -0.0001909700000000 ] - [ -0.0004468000000000, 0.0042959700000000, 0.0006345100000000 ] - [ 0.0000750400000000, -0.0024074800000000, 0.0001184000000000 ] - [ 0.0003204800000000, 0.0009054400000000, -0.0023589700000000 ] - [ 0.0000154700000000, -0.0017121700000000, 0.0003959800000000 ] - [ -0.0001363900000000, 0.0003233500000000, 0.0015978900000000 ] - [ 0.0000723100000000, -0.0020470300000000, -0.0007029900000000 ] - [ 0.0015722200000000, 0.0041947200000000, -0.0064143300000000 ] - [ -0.0000402800000000, -0.0024048000000000, -0.0001053800000000 ] - [ 0.0001876500000000, -0.0034956700000000, 0.0006378200000000 ] - [ 0.0086159400000000, -0.0074921500000000, -0.0089264900000000 ] - [ -0.0000155300000000, -0.0014731000000000, -0.0001088200000000 ] - [ -0.0001132500000000, 0.0007715800000000, 0.0000265900000000 ] - [ 0.0024321500000000, 0.0010039800000000, 0.0018092900000000 ] - [ -0.0002068600000000, 0.0008532100000000, -0.0003798300000000 ] - [ 0.0220678700000000, 0.0196842600000000, -0.0005596500000000 ] - [ 0.0003389300000000, 0.0019239900000000, -0.0000777400000000 ] - [ -0.0003971200000000, 0.0032895000000000, -0.0004178200000000 ] - [ -0.0035851300000000, 0.0039414000000000, -0.0002497000000000 ] - [ -0.0008829100000000, 0.0020181700000000, 0.0001674800000000 ] - [ -0.0033287200000000, 0.0258147500000000, 0.0044472400000000 ] - [ -0.1591317200000000, -0.2482891200000000, 0.0210381900000000 ] - [ 0.0003802500000000, 0.0016937600000000, -0.0000317500000000 ] - [ 0.0003393100000000, 0.0014912100000000, -0.0001092800000000 ] - [ -0.0013070400000000, -0.0011414200000000, -0.0004522700000000 ] - [ 0.0013274000000000, -0.0048754700000000, -0.0002796500000000 ] - [ -0.0003282600000000, 0.0017420200000000, 0.0005162300000000 ] - [ -0.0013446800000000, 0.0021029900000000, 0.0001430400000000 ] - [ 0.0003772700000000, 0.0013354800000000, -0.0002448000000000 ] - [ -0.0000796500000000, 0.0008827400000000, -0.0002564900000000 ] - [ 0.0108230600000000, 0.0007376200000000, -0.0064656100000000 ] - [ 0.0001911600000000, 0.0006874900000000, 0.0000049300000000 ] - [ -0.0000878300000000, 0.0006573200000000, -0.0004876500000000 ] - [ 0.0008392000000000, -0.0014821400000000, 0.0010789900000000 ] - [ -0.0002033100000000, 0.0015947400000000, 0.0003998400000000 ] - [ 0.0000917900000000, 0.0021384100000000, 0.0009836900000000 ] - [ 0.0008825000000000, 0.0018520700000000, -0.0008926300000000 ] - [ -0.0050263200000000, 0.0040549000000000, 0.0077527100000000 ] - [ -0.0002962400000000, 0.0019557000000000, -0.0006616400000000 ] - [ 0.0003001200000000, 0.0016777300000000, 0.0005498200000000 ] - [ 0.0000867500000000, -0.0009742600000000, -0.0020621600000000 ] - [ 0.0005195900000000, -0.0051520800000000, 0.0006176500000000 ] - [ -0.0003021100000000, 0.0016763900000000, -0.0005085900000000 ] - [ -0.0019097800000000, 0.0003008500000000, 0.0007316700000000 ] - [ 0.0001582000000000, 0.0007943000000000, -0.0003010500000000 ] - [ 0.0000286500000000, 0.0008305600000000, -0.0001067400000000 ] - [ 0.0005185200000000, -0.0014125900000000, 0.0013285400000000 ] - [ -0.0000064000000000, 0.0008374100000000, 0.0001244400000000 ] - [ 0.0022372800000000, -0.0015565600000000, -0.0007223100000000 ] - [ 0.0004513100000000, -0.0001132100000000, -0.0001139700000000 ] - [ 0.0002382400000000, 0.0006773500000000, 0.0001040200000000 ] - [ -0.0003000600000000, 0.0015695100000000, -0.0003346800000000 ] - [ 0.0005979300000000, -0.0004654400000000, -0.0011079300000000 ] - [ -0.0003531000000000, -0.0042288300000000, -0.0020611800000000 ] - [ 0.0003025900000000, 0.0016501500000000, 0.0004752700000000 ] - [ -0.0001120200000000, 0.0007813800000000, -0.0004874000000000 ] - [ -0.0002684900000000, 0.0009239800000000, -0.0001810400000000 ] - [ -0.0001241200000000, -0.0020392800000000, -0.0001094200000000 ] - [ 0.0002789100000000, 0.0016203700000000, 0.0004913500000000 ] - [ -0.0001808600000000, 0.0007150700000000, 0.0005442700000000 ] - [ -0.0000478200000000, 0.0005720500000000, 0.0002906200000000 ] - [ -0.0002929400000000, -0.0020604600000000, 0.0002080400000000 ] - [ 0.0002329800000000, 0.0015951100000000, -0.0004412800000000 ] - [ 0.0000534700000000, 0.0008337900000000, 0.0002791800000000 ] - [ 0.0005498300000000, -0.0014593500000000, 0.0006465900000000 ] - [ 0.0013449600000000, 0.0008778900000000, -0.0024869500000000 ] - [ -0.0003693000000000, 0.0009011500000000, 0.0005402400000000 ] - [ -0.0011330700000000, -0.0038966800000000, 0.0012678500000000 ] - [ 0.0003258900000000, 0.0017207100000000, -0.0005146200000000 ] - [ -0.0002916400000000, 0.0014274100000000, 0.0001718500000000 ] - [ 0.0001329500000000, -0.0007972200000000, 0.0008418200000000 ] - [ 0.0008000700000000, 0.0018634200000000, -0.0004261200000000 ] - [ -0.0024633500000000, -0.0013008600000000, 0.0026185500000000 ] - [ 0.0010593400000000, -0.0084120900000000, -0.0008393700000000 ] - [ -0.0003912400000000, 0.0016315000000000, 0.0000472800000000 ] - [ 0.0002998100000000, 0.0021034900000000, -0.0002226300000000 ] - [ -0.0000759200000000, 0.0027129300000000, 0.0027654400000000 ] - [ 0.0007236400000000, 0.0034651000000000, -0.0095250200000000 ] - [ -0.0004282700000000, 0.0018753800000000, 0.0001589900000000 ] - [ -0.0012207300000000, 0.0003700100000000, -0.0010000500000000 ] - [ 0.0001818400000000, 0.0008435600000000, 0.0004071300000000 ] - [ 0.0052786900000000, -0.0003124600000000, 0.0068705100000000 ] - [ 0.0001104400000000, 0.0007737800000000, -0.0000634100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001226700000000, 0.0018765100000000, 0.0007287100000000 ] - [ -0.0020968000000000, 0.0027738100000000, -0.0043493000000000 ] - [ -0.0042810000000000, -0.0170182800000000, -0.0000239500000000 ] - [ -0.0000628500000000, 0.0016309100000000, -0.0000967000000000 ] - [ 0.0000688800000000, 0.0014749400000000, -0.0005226200000000 ] - [ 0.0000182500000000, 0.0001877800000000, 0.0011630900000000 ] - [ 0.0009450100000000, -0.0045089400000000, -0.0023816200000000 ] - [ -0.0000139000000000, 0.0015694000000000, 0.0000952100000000 ] - [ 0.0042865200000000, 0.0065264700000000, -0.0012829800000000 ] - [ -0.0012155800000000, 0.0029967700000000, -0.0000300500000000 ] - [ -0.0397179000000000, -0.0678736300000000, 0.0438790400000000 ] - [ -0.0000337400000000, 0.0025476600000000, 0.0000342100000000 ] - [ -0.0750371900000000, -0.1193647800000000, -0.0189490400000000 ] - [ -0.0002450200000000, 0.0023544900000000, 0.0000055200000000 ] - [ -0.0001570300000000, 0.0021976900000000, 0.0005715500000000 ] - [ 0.0004779300000000, 0.0005534600000000, -0.0013200300000000 ] - [ -0.0012757700000000, -0.0077254700000000, 0.0027188000000000 ] - [ 0.0000358300000000, 0.0023121300000000, -0.0001341800000000 ] - [ 0.0000207700000000, 0.0021561600000000, 0.0001296400000000 ] - [ -0.0000757100000000, 0.0005597000000000, -0.0001550500000000 ] - [ 0.0006693800000000, -0.0050203400000000, 0.0006689700000000 ] - [ -0.0000019100000000, 0.0022761000000000, 0.0000087000000000 ] - [ -0.0011271300000000, -0.0049050100000000, 0.0015291400000000 ] - [ 0.0002273800000000, 0.0022279500000000, -0.0000494100000000 ] - [ -0.0024388300000000, 0.0041482400000000, -0.0018892000000000 ] - [ 0.0009059800000000, 0.0029832300000000, 0.0006047400000000 ] - [ -0.0000036600000000, 0.0001786400000000, -0.0000097300000000 ] - [ 0.0017178200000000, -0.0003400500000000, 0.0004154600000000 ] - [ 0.0001294800000000, -0.0050825800000000, -0.0008029600000000 ] - [ 0.0000488800000000, 0.0024913200000000, 0.0002821000000000 ] - [ -0.0028659700000000, 0.0043537000000000, 0.0018607400000000 ] - [ 0.0006461900000000, 0.0031471800000000, -0.0001972500000000 ] - [ -0.0004233100000000, 0.0000405200000000, -0.0004117400000000 ] - [ -0.0001702100000000, 0.0020754400000000, 0.0003496800000000 ] - [ 0.0033262600000000, -0.0042299900000000, -0.0071373500000000 ] - [ -0.0001218500000000, 0.0024339300000000, 0.0000057200000000 ] - [ 0.0006295100000000, -0.0042192300000000, -0.0004420900000000 ] - [ 0.0001146900000000, 0.0024394900000000, 0.0000673300000000 ] - [ 0.0001364600000000, -0.0006583900000000, 0.0022090000000000 ] - [ 0.0004376100000000, 0.0019712800000000, -0.0005493900000000 ] - [ 0.0000889700000000, -0.0003464200000000, -0.0023169900000000 ] - [ -0.0001165200000000, 0.0020405400000000, -0.0000131300000000 ] - [ -0.0016277200000000, -0.0041703900000000, 0.0059992100000000 ] - [ -0.0000118700000000, 0.0024086600000000, -0.0003063100000000 ] - [ -0.0001887000000000, 0.0035595500000000, -0.0006412800000000 ] - [ -0.0085429500000000, 0.0075291200000000, 0.0088551100000000 ] - [ -0.0002572300000000, 0.0015321300000000, 0.0000885400000000 ] - [ -0.0001623800000000, -0.0007005900000000, -0.0000532700000000 ] - [ -0.0021679400000000, -0.0010167200000000, -0.0018911000000000 ] - [ 0.0004774400000000, -0.0008622800000000, 0.0003043900000000 ] - [ -0.0223553700000000, -0.0197947700000000, 0.0003947500000000 ] - [ -0.0003162900000000, -0.0018382400000000, -0.0000831900000000 ] - [ 0.0006452200000000, -0.0033454100000000, 0.0003719400000000 ] - [ 0.0038004000000000, -0.0039718000000000, 0.0002031200000000 ] - [ 0.0006787900000000, -0.0020000400000000, -0.0001855600000000 ] - [ 0.0031115400000000, -0.0253750400000000, -0.0044242400000000 ] - [ 0.1561968300000000, 0.2447123200000000, -0.0240342300000000 ] - [ -0.0005238600000000, -0.0017367100000000, 0.0000260600000000 ] - [ -0.0004197500000000, -0.0016620000000000, 0.0003069700000000 ] - [ 0.0012173500000000, 0.0009527600000000, 0.0006526300000000 ] - [ -0.0013433600000000, 0.0050712000000000, 0.0005407700000000 ] - [ 0.0002794600000000, -0.0015455000000000, -0.0002728000000000 ] - [ 0.0014766600000000, -0.0022028300000000, -0.0003532400000000 ] - [ -0.0002476700000000, -0.0014231000000000, 0.0000345000000000 ] - [ 0.0000535600000000, -0.0008529400000000, -0.0003741500000000 ] - [ -0.0107814300000000, -0.0007311800000000, 0.0058182200000000 ] - [ -0.0001426800000000, -0.0010524100000000, 0.0000547200000000 ] - [ 0.0001328100000000, -0.0010307600000000, 0.0005475400000000 ] - [ -0.0007953200000000, 0.0016201900000000, -0.0010844100000000 ] - [ 0.0002467900000000, -0.0014660100000000, -0.0004072200000000 ] - [ -0.0001152700000000, -0.0022026300000000, -0.0009385800000000 ] - [ -0.0008993500000000, -0.0019158900000000, 0.0009289900000000 ] - [ 0.0050041600000000, -0.0038786400000000, -0.0079629200000000 ] - [ 0.0002395700000000, -0.0017587500000000, 0.0005249200000000 ] - [ -0.0002209900000000, -0.0016511100000000, -0.0005985600000000 ] - [ -0.0000085600000000, 0.0009818600000000, 0.0019951000000000 ] - [ -0.0006083900000000, 0.0050729500000000, -0.0006663000000000 ] - [ 0.0002182900000000, -0.0017403400000000, 0.0004210600000000 ] - [ 0.0013001200000000, -0.0003223600000000, -0.0008470800000000 ] - [ -0.0007638700000000, -0.0008182800000000, 0.0001870600000000 ] - [ 0.0000161100000000, -0.0008622400000000, -0.0000972600000000 ] - [ -0.0004678500000000, 0.0013719500000000, -0.0015313200000000 ] - [ -0.0000391100000000, -0.0008688100000000, 0.0000794300000000 ] - [ -0.0022710500000000, 0.0015151600000000, 0.0009281500000000 ] - [ 0.0001595300000000, 0.0000934200000000, 0.0002280400000000 ] - [ 0.0003707900000000, -0.0007015100000000, 0.0000083000000000 ] - [ 0.0002207400000000, -0.0015426900000000, 0.0003832300000000 ] - [ -0.0006738600000000, 0.0004778500000000, 0.0011599400000000 ] - [ 0.0004341300000000, 0.0041560500000000, 0.0021354000000000 ] - [ -0.0002173700000000, -0.0017138200000000, -0.0003890600000000 ] - [ 0.0001362000000000, -0.0008433700000000, 0.0004390100000000 ] - [ 0.0002922900000000, -0.0009944500000000, 0.0001331400000000 ] - [ 0.0001832500000000, 0.0022480100000000, 0.0002411400000000 ] - [ -0.0002235300000000, -0.0014254500000000, -0.0003550100000000 ] - [ 0.0001320100000000, -0.0010817000000000, -0.0006065000000000 ] - [ 0.0000014900000000, -0.0009458100000000, -0.0003507700000000 ] - [ 0.0002516500000000, 0.0021971700000000, -0.0002033400000000 ] - [ -0.0002751400000000, -0.0014657500000000, 0.0004478100000000 ] - [ -0.0000267500000000, -0.0008046400000000, 0.0003513000000000 ] - [ -0.0005160900000000, 0.0014694400000000, -0.0000170800000000 ] - [ -0.0014728000000000, -0.0009697300000000, 0.0027081500000000 ] - [ 0.0002405100000000, -0.0009924400000000, -0.0003279700000000 ] - [ 0.0011790300000000, 0.0040876300000000, -0.0015099100000000 ] - [ -0.0002766300000000, -0.0015242400000000, 0.0002700200000000 ] - [ 0.0003712600000000, -0.0015977200000000, -0.0003683800000000 ] - [ -0.0000467900000000, 0.0006121900000000, -0.0010396700000000 ] - [ -0.0005954500000000, -0.0018446700000000, 0.0004448700000000 ] - [ 0.0026423000000000, 0.0012925600000000, -0.0025835300000000 ] - [ -0.0008298100000000, 0.0083646000000000, 0.0007383800000000 ] - [ 0.0005357600000000, -0.0016744400000000, -0.0000417300000000 ] - [ -0.0005450900000000, -0.0021511400000000, 0.0002722000000000 ] - [ -0.0001758600000000, -0.0027541800000000, -0.0026947000000000 ] - [ -0.0007618100000000, -0.0033659800000000, 0.0097403600000000 ] - [ 0.0004047100000000, -0.0017894900000000, 0.0000023300000000 ] - [ 0.0009478500000000, -0.0003760400000000, 0.0010752900000000 ] - [ -0.0004521600000000, -0.0008534200000000, -0.0003310000000000 ] - [ -0.0049684600000000, 0.0003545300000000, -0.0068243100000000 ] - [ 0.0001653800000000, -0.0007032100000000, 0.0000912900000000 ]- atom: 57 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0005433100000000, 0.0000916900000000, 0.0004934200000000 ] - [ -0.0007077100000000, 0.0014686300000000, 0.0005030300000000 ] - [ -0.0044899200000000, -0.0005928000000000, 0.0128770200000000 ] - [ -0.0000631100000000, 0.0002242700000000, 0.0000626200000000 ] - [ 0.0001821700000000, 0.0004973500000000, -0.0005413800000000 ] - [ 0.0001602000000000, -0.0003846600000000, -0.0012884300000000 ] - [ -0.0002501600000000, 0.0007477100000000, -0.0067429400000000 ] - [ 0.0000237100000000, 0.0002123300000000, -0.0000700500000000 ] - [ 0.0021475600000000, 0.0027917400000000, -0.0000536500000000 ] - [ -0.0000579500000000, 0.0001153600000000, 0.0000705400000000 ] - [ -0.0622352500000000, -0.0602477600000000, 0.0842144300000000 ] - [ -0.0000257500000000, 0.0004763500000000, 0.0000291900000000 ] - [ -0.0255621300000000, -0.0217256100000000, 0.0149841500000000 ] - [ -0.0002159700000000, 0.0003692100000000, 0.0000803600000000 ] - [ 0.0002482400000000, -0.0004086000000000, -0.0007831900000000 ] - [ 0.0002491000000000, 0.0016203400000000, -0.0009881100000000 ] - [ 0.0048242200000000, -0.0030435700000000, -0.0076317200000000 ] - [ 0.0000145100000000, 0.0002379000000000, -0.0000663900000000 ] - [ -0.0000959700000000, 0.0003607100000000, -0.0000165400000000 ] - [ -0.0000952400000000, 0.0002049600000000, -0.0005937500000000 ] - [ -0.0012360700000000, -0.0007109300000000, -0.0014984300000000 ] - [ 0.0000044000000000, 0.0002799200000000, -0.0000077300000000 ] - [ 0.0081587600000000, -0.0087469100000000, 0.0002751200000000 ] - [ 0.0002348300000000, 0.0004741000000000, -0.0000324800000000 ] - [ -0.0039182400000000, 0.0041256800000000, 0.0019528400000000 ] - [ -0.0000070100000000, 0.0000977100000000, 0.0001688800000000 ] - [ 0.0000131800000000, 0.0000017800000000, 0.0000104100000000 ] - [ 0.0009069400000000, 0.0000226300000000, 0.0017703400000000 ] - [ 0.0011081100000000, -0.0002792100000000, 0.0033054400000000 ] - [ 0.0000794300000000, 0.0004146300000000, 0.0002610200000000 ] - [ 0.0024711900000000, -0.0059294200000000, 0.0042711800000000 ] - [ 0.0000963200000000, 0.0008219400000000, 0.0005588100000000 ] - [ -0.0011043700000000, -0.0008889900000000, -0.0012454900000000 ] - [ -0.0003161700000000, 0.0005638400000000, -0.0000350300000000 ] - [ 0.0054143400000000, -0.0006653300000000, -0.0084403700000000 ] - [ -0.0000055300000000, 0.0002603800000000, -0.0000452200000000 ] - [ -0.0009918500000000, 0.0044028300000000, -0.0063522800000000 ] - [ 0.0000464500000000, 0.0002335000000000, -0.0000660900000000 ] - [ 0.0021551600000000, 0.0000812600000000, -0.0002800700000000 ] - [ 0.0004309500000000, 0.0005752100000000, -0.0001274000000000 ] - [ 0.0010719000000000, 0.0003838000000000, -0.0023937600000000 ] - [ 0.0000324700000000, 0.0003441300000000, -0.0006016100000000 ] - [ -0.0026556900000000, -0.0020215800000000, -0.0020466800000000 ] - [ -0.0001078400000000, 0.0004404800000000, -0.0002241200000000 ] - [ -0.0000830900000000, 0.0012670900000000, 0.0003149200000000 ] - [ -0.0018872200000000, -0.0015961300000000, 0.0019446000000000 ] - [ -0.0026794700000000, 0.0010110300000000, -0.0018600500000000 ] - [ -0.0001958000000000, -0.0000985700000000, -0.0000414000000000 ] - [ -0.0012189500000000, -0.0004052500000000, -0.0008457900000000 ] - [ 0.0000449600000000, -0.0001389900000000, -0.0000982100000000 ] - [ -0.0042165800000000, -0.0087612400000000, -0.0057658900000000 ] - [ -0.0000315500000000, -0.0001407200000000, -0.0001205100000000 ] - [ 0.0004011900000000, -0.0013261300000000, -0.0001446300000000 ] - [ 0.0004271000000000, -0.0000644600000000, -0.0004834800000000 ] - [ 0.0002466900000000, -0.0004517200000000, -0.0003563300000000 ] - [ 0.0028836900000000, -0.0011143100000000, -0.0055410000000000 ] - [ 0.1112715100000000, 0.0999787400000000, -0.1286420700000000 ] - [ -0.0001091400000000, -0.0002744100000000, -0.0000326100000000 ] - [ -0.0000947400000000, -0.0003378500000000, 0.0000556700000000 ] - [ 0.0001719500000000, -0.0002815100000000, -0.0001445500000000 ] - [ 0.0016019000000000, 0.0007631900000000, -0.0003477500000000 ] - [ 0.0000128800000000, -0.0001549200000000, 0.0000356900000000 ] - [ 0.0009401200000000, 0.0004088600000000, -0.0030114200000000 ] - [ 0.0001407700000000, -0.0002358600000000, -0.0003330300000000 ] - [ -0.0000046500000000, -0.0000576000000000, -0.0003757300000000 ] - [ -0.0139808100000000, -0.0078179000000000, 0.0037923900000000 ] - [ 0.0002398700000000, -0.0001051300000000, 0.0001548600000000 ] - [ 0.0001972500000000, -0.0004895800000000, 0.0001827400000000 ] - [ 0.0011735500000000, 0.0011301200000000, 0.0006406100000000 ] - [ 0.0000739700000000, -0.0002048800000000, -0.0000586200000000 ] - [ 0.0001293200000000, 0.0017869200000000, -0.0000363500000000 ] - [ 0.0000219800000000, -0.0008182200000000, -0.0002792500000000 ] - [ -0.0039123800000000, 0.0107703000000000, 0.0040704000000000 ] - [ 0.0000377700000000, -0.0002868000000000, 0.0000023800000000 ] - [ 0.0001176200000000, 0.0000664700000000, 0.0000947500000000 ] - [ 0.0000653100000000, -0.0014105500000000, 0.0014536100000000 ] - [ -0.0004482000000000, -0.0012340600000000, 0.0093118000000000 ] - [ 0.0000088200000000, -0.0002508000000000, 0.0000401800000000 ] - [ -0.0025274600000000, 0.0008918500000000, 0.0000415600000000 ] - [ -0.0004437200000000, -0.0002606200000000, -0.0000305400000000 ] - [ 0.0001077700000000, -0.0001264400000000, -0.0000570200000000 ] - [ 0.0020782800000000, -0.0003276700000000, 0.0013504600000000 ] - [ -0.0000937000000000, -0.0001337000000000, 0.0000745700000000 ] - [ -0.0030271100000000, 0.0001887700000000, 0.0004132300000000 ] - [ 0.0000916300000000, 0.0002748000000000, 0.0008325800000000 ] - [ 0.0003048800000000, -0.0001833000000000, 0.0001349400000000 ] - [ -0.0001230500000000, -0.0000926500000000, 0.0001979700000000 ] - [ -0.0006867400000000, -0.0010263600000000, 0.0024903600000000 ] - [ -0.0019287200000000, 0.0010786600000000, 0.0038771900000000 ] - [ -0.0000121800000000, -0.0002577300000000, -0.0000020200000000 ] - [ -0.0001894700000000, -0.0003538300000000, 0.0006069400000000 ] - [ -0.0001037000000000, -0.0004429600000000, 0.0005335000000000 ] - [ -0.0018562300000000, -0.0000314300000000, 0.0031138700000000 ] - [ -0.0000258000000000, -0.0001478200000000, 0.0000704200000000 ] - [ -0.0002606200000000, -0.0002524300000000, 0.0001479900000000 ] - [ -0.0001527000000000, -0.0003879900000000, 0.0000794700000000 ] - [ -0.0001044100000000, 0.0002328000000000, 0.0009879900000000 ] - [ -0.0000909300000000, -0.0002174000000000, 0.0000961000000000 ] - [ -0.0000464300000000, -0.0001003700000000, 0.0004207800000000 ] - [ -0.0030439600000000, 0.0005286000000000, 0.0037019900000000 ] - [ -0.0008615000000000, -0.0007094200000000, 0.0011139400000000 ] - [ -0.0001152500000000, -0.0000819900000000, 0.0001948300000000 ] - [ 0.0015714300000000, 0.0008828500000000, 0.0013675000000000 ] - [ -0.0000062300000000, -0.0001595000000000, -0.0000369100000000 ] - [ 0.0001528300000000, -0.0003671300000000, -0.0000504100000000 ] - [ 0.0003864000000000, 0.0004778200000000, 0.0004929000000000 ] - [ -0.0001718000000000, -0.0005456600000000, 0.0001511500000000 ] - [ 0.0006256800000000, 0.0030303100000000, -0.0003859800000000 ] - [ -0.0151043800000000, 0.0011223500000000, 0.0164662800000000 ] - [ 0.0001302000000000, -0.0002940700000000, 0.0000149500000000 ] - [ -0.0001104400000000, -0.0016035400000000, -0.0003348500000000 ] - [ 0.0003962500000000, 0.0001872500000000, -0.0003402300000000 ] - [ 0.0020665600000000, -0.0084829100000000, 0.0055325200000000 ] - [ 0.0000650400000000, -0.0001298300000000, 0.0000807900000000 ] - [ 0.0012847000000000, -0.0004001500000000, 0.0009192100000000 ] - [ -0.0000569100000000, -0.0000909700000000, 0.0000964300000000 ] - [ 0.0049605700000000, 0.0019788400000000, -0.0016597400000000 ] - [ 0.0001867100000000, -0.0000891300000000, 0.0000034600000000 ]- atom: 57 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0005191300000000, -0.0000416600000000, -0.0003801300000000 ] - [ 0.0006791100000000, -0.0014167700000000, -0.0004085900000000 ] - [ 0.0042106500000000, 0.0003095600000000, -0.0131338400000000 ] - [ 0.0000379200000000, -0.0002671900000000, -0.0000304700000000 ] - [ -0.0001493100000000, -0.0004499400000000, 0.0004134400000000 ] - [ -0.0001312500000000, 0.0004216400000000, 0.0011630100000000 ] - [ 0.0002500600000000, -0.0007699300000000, 0.0066986900000000 ] - [ -0.0000078000000000, -0.0002529000000000, 0.0000512900000000 ] - [ -0.0025222400000000, -0.0027866500000000, -0.0000216800000000 ] - [ -0.0003043900000000, -0.0000813100000000, -0.0001544400000000 ] - [ 0.0592200000000000, 0.0564286200000000, -0.0807107900000000 ] - [ 0.0000252100000000, -0.0001251600000000, -0.0000285300000000 ] - [ 0.0248495000000000, 0.0212804000000000, -0.0148144800000000 ] - [ 0.0000445200000000, -0.0003470400000000, -0.0000988300000000 ] - [ -0.0002483500000000, 0.0001184600000000, 0.0007832600000000 ] - [ -0.0002495100000000, -0.0019281600000000, 0.0009846000000000 ] - [ -0.0048375000000000, 0.0027826000000000, 0.0076477800000000 ] - [ -0.0000146600000000, -0.0005249900000000, 0.0000655800000000 ] - [ 0.0000953400000000, -0.0001834100000000, 0.0000151000000000 ] - [ 0.0000952200000000, -0.0000303600000000, 0.0005928100000000 ] - [ 0.0012323300000000, 0.0004951400000000, 0.0014857000000000 ] - [ -0.0000051300000000, -0.0004894800000000, 0.0000077000000000 ] - [ -0.0079569700000000, 0.0087050800000000, -0.0002334400000000 ] - [ -0.0000629300000000, -0.0004523800000000, 0.0000518500000000 ] - [ 0.0042697700000000, -0.0040940300000000, -0.0018554800000000 ] - [ 0.0003677000000000, -0.0000637300000000, -0.0000812600000000 ] - [ -0.0000142800000000, -0.0000530400000000, -0.0000091200000000 ] - [ -0.0008973100000000, -0.0000737600000000, -0.0017739900000000 ] - [ -0.0010840700000000, 0.0003043400000000, -0.0028929400000000 ] - [ -0.0000353200000000, -0.0003938000000000, 0.0001410500000000 ] - [ -0.0024419200000000, 0.0059168800000000, -0.0036126600000000 ] - [ -0.0000621600000000, -0.0008374200000000, 0.0001211600000000 ] - [ 0.0006499700000000, 0.0011388300000000, 0.0014286000000000 ] - [ -0.0001412800000000, -0.0003155800000000, 0.0002217900000000 ] - [ -0.0056094500000000, 0.0006958100000000, 0.0082390600000000 ] - [ -0.0001777200000000, -0.0002111800000000, -0.0001485000000000 ] - [ 0.0012009600000000, -0.0043878200000000, 0.0065531700000000 ] - [ 0.0001373900000000, -0.0001847100000000, 0.0002602300000000 ] - [ -0.0017040700000000, 0.0001703600000000, 0.0000873300000000 ] - [ 0.0000271700000000, -0.0003267200000000, -0.0000601400000000 ] - [ -0.0010989400000000, -0.0003867000000000, 0.0017217300000000 ] - [ -0.0000645800000000, -0.0003640400000000, -0.0000800600000000 ] - [ 0.0025926100000000, 0.0020239800000000, 0.0016867900000000 ] - [ 0.0000626800000000, -0.0004186300000000, -0.0001781100000000 ] - [ 0.0000860600000000, -0.0012311700000000, -0.0003096500000000 ] - [ 0.0018391400000000, 0.0016510500000000, -0.0018921300000000 ] - [ 0.0023912600000000, -0.0009326100000000, 0.0018308600000000 ] - [ -0.0000890100000000, 0.0001714500000000, 0.0000249300000000 ] - [ 0.0015067700000000, 0.0004005300000000, 0.0007872400000000 ] - [ 0.0002358500000000, 0.0001308100000000, 0.0000348200000000 ] - [ 0.0043115200000000, 0.0088812500000000, 0.0055512700000000 ] - [ 0.0000553100000000, 0.0002155800000000, -0.0000372400000000 ] - [ -0.0001472300000000, 0.0012757000000000, 0.0001022000000000 ] - [ -0.0001554600000000, -0.0000048700000000, 0.0004425700000000 ] - [ -0.0004595800000000, 0.0004670600000000, 0.0003386400000000 ] - [ -0.0030825800000000, 0.0010194400000000, 0.0055073100000000 ] - [ -0.1075140100000000, -0.0949532400000000, 0.1250943000000000 ] - [ -0.0000422400000000, 0.0002253200000000, 0.0000333000000000 ] - [ 0.0000182800000000, 0.0001644300000000, 0.0001376100000000 ] - [ -0.0002423000000000, 0.0001101700000000, 0.0003392600000000 ] - [ -0.0016324900000000, -0.0005653900000000, 0.0005948500000000 ] - [ -0.0000619100000000, 0.0003508000000000, 0.0001970800000000 ] - [ -0.0008156300000000, -0.0004944400000000, 0.0028118100000000 ] - [ -0.0000163900000000, 0.0001420900000000, 0.0001316600000000 ] - [ -0.0000258800000000, 0.0000854200000000, -0.0002559500000000 ] - [ 0.0140448400000000, 0.0079234400000000, -0.0043938900000000 ] - [ -0.0001937900000000, -0.0002631700000000, -0.0000926100000000 ] - [ -0.0001512400000000, 0.0001242000000000, -0.0001220000000000 ] - [ -0.0011373300000000, -0.0010076000000000, -0.0006480500000000 ] - [ -0.0000344200000000, 0.0003262300000000, 0.0000469600000000 ] - [ -0.0001544800000000, -0.0018599500000000, 0.0000868200000000 ] - [ -0.0000499600000000, 0.0007535000000000, 0.0003347900000000 ] - [ 0.0038812200000000, -0.0106919300000000, -0.0042353700000000 ] - [ -0.0000867300000000, 0.0004695000000000, -0.0001397900000000 ] - [ -0.0000391600000000, -0.0000406100000000, -0.0001402800000000 ] - [ 0.0000117700000000, 0.0014515200000000, -0.0014946400000000 ] - [ 0.0003573100000000, 0.0011752000000000, -0.0094835200000000 ] - [ -0.0000850900000000, 0.0001828800000000, -0.0001267200000000 ] - [ 0.0019195200000000, -0.0009205300000000, -0.0001599300000000 ] - [ -0.0001711700000000, 0.0002349300000000, -0.0000893800000000 ] - [ -0.0000668400000000, 0.0000942300000000, -0.0001422800000000 ] - [ -0.0020568300000000, 0.0003028900000000, -0.0015614400000000 ] - [ 0.0000520200000000, 0.0001019700000000, 0.0001255500000000 ] - [ 0.0029985000000000, -0.0002202800000000, -0.0002147400000000 ] - [ 0.0005178700000000, -0.0003031200000000, -0.0007122300000000 ] - [ 0.0003074900000000, 0.0001586500000000, -0.0000140400000000 ] - [ 0.0000434600000000, 0.0001181100000000, -0.0001510100000000 ] - [ 0.0006071100000000, 0.0010609800000000, -0.0024439400000000 ] - [ 0.0020134300000000, -0.0011378700000000, -0.0037785000000000 ] - [ 0.0000898400000000, 0.0001897300000000, 0.0000877600000000 ] - [ 0.0002150300000000, 0.0002842400000000, -0.0006566900000000 ] - [ 0.0001311200000000, 0.0003817700000000, -0.0005851200000000 ] - [ 0.0019017800000000, 0.0001993000000000, -0.0029732000000000 ] - [ 0.0000728100000000, 0.0003323600000000, 0.0000695300000000 ] - [ 0.0002144300000000, -0.0001154800000000, -0.0002054400000000 ] - [ 0.0001053700000000, 0.0000222200000000, -0.0001392300000000 ] - [ 0.0000694700000000, -0.0001113400000000, -0.0009721700000000 ] - [ 0.0000527900000000, 0.0003383000000000, -0.0000835300000000 ] - [ 0.0000767800000000, 0.0001275400000000, 0.0002112100000000 ] - [ 0.0030558400000000, -0.0004823900000000, -0.0030698900000000 ] - [ 0.0007392000000000, 0.0006176400000000, -0.0009240000000000 ] - [ -0.0000089600000000, -0.0000098800000000, 0.0000064300000000 ] - [ -0.0015087900000000, -0.0006797400000000, -0.0016003000000000 ] - [ 0.0000558100000000, 0.0003551500000000, -0.0001964300000000 ] - [ -0.0000754600000000, 0.0001922400000000, -0.0001401300000000 ] - [ -0.0003078300000000, -0.0006487500000000, -0.0006911300000000 ] - [ 0.0003821700000000, 0.0005603300000000, -0.0001351300000000 ] - [ -0.0004012100000000, -0.0029931600000000, 0.0003885200000000 ] - [ 0.0150154200000000, -0.0011793500000000, -0.0162043400000000 ] - [ 0.0000219600000000, 0.0002452100000000, -0.0000159000000000 ] - [ -0.0001462900000000, 0.0015411800000000, 0.0003719100000000 ] - [ -0.0006473100000000, -0.0002491800000000, 0.0003696600000000 ] - [ -0.0020650200000000, 0.0084941500000000, -0.0053575000000000 ] - [ -0.0000888400000000, 0.0002053900000000, 0.0000765400000000 ] - [ -0.0015616600000000, 0.0003909600000000, -0.0008542700000000 ] - [ -0.0002235500000000, 0.0000821700000000, -0.0000333700000000 ] - [ -0.0046954300000000, -0.0019276700000000, 0.0016137600000000 ] - [ 0.0000974600000000, 0.0001612800000000, 0.0000137100000000 ]- atom: 59 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0082991900000000, 0.0002231700000000, -0.0000661200000000 ] - [ -0.0000168300000000, -0.0002574500000000, 0.0000538700000000 ] - [ -0.0001293400000000, -0.0006264000000000, -0.0000699800000000 ] - [ 0.0003722300000000, 0.0012587600000000, -0.0000631900000000 ] - [ -0.0016356100000000, 0.0009458900000000, -0.0027838800000000 ] - [ 0.0000224300000000, -0.0002872000000000, -0.0001150700000000 ] - [ -0.0001395700000000, -0.0000688300000000, -0.0003507500000000 ] - [ 0.0001354700000000, -0.0009114100000000, -0.0010531000000000 ] - [ 0.0031263700000000, -0.0021341800000000, 0.0004439200000000 ] - [ 0.0000522000000000, -0.0003184600000000, -0.0000382700000000 ] - [ -0.0001605100000000, -0.0004218400000000, -0.0002360500000000 ] - [ 0.0007376600000000, 0.0005406500000000, -0.0007387500000000 ] - [ -0.0001423700000000, -0.0004188100000000, -0.0000082600000000 ] - [ -0.0047935500000000, 0.0029051900000000, 0.0001756300000000 ] - [ -0.0056422400000000, -0.0001808500000000, 0.0002637100000000 ] - [ -0.0000677000000000, -0.0006222100000000, 0.0000041400000000 ] - [ -0.0003617200000000, -0.0006136100000000, 0.0000049900000000 ] - [ -0.0025679100000000, -0.0008245900000000, -0.0001246300000000 ] - [ 0.0321608800000000, -0.0144635100000000, 0.0238231700000000 ] - [ 0.0000984900000000, -0.0004088000000000, -0.0000246100000000 ] - [ 0.0011873900000000, -0.0004285000000000, -0.0002306100000000 ] - [ 0.0018439100000000, -0.0014597500000000, -0.0001014500000000 ] - [ 0.0000960000000000, -0.0004023400000000, 0.0000207800000000 ] - [ 0.0024709000000000, 0.0018125400000000, 0.0026530600000000 ] - [ 0.0004200900000000, -0.0002034100000000, -0.0001860800000000 ] - [ 0.0001439600000000, -0.0002939500000000, 0.0000158700000000 ] - [ -0.0006601000000000, -0.0000110700000000, 0.0016774100000000 ] - [ 0.0000039100000000, -0.0000629500000000, 0.0000172200000000 ] - [ 0.0001105300000000, -0.0004548000000000, 0.0002321500000000 ] - [ 0.0820518200000000, 0.0711377800000000, -0.0258354000000000 ] - [ -0.0022500400000000, -0.0012640500000000, 0.0003463800000000 ] - [ -0.0003139000000000, -0.0003985100000000, 0.0004151700000000 ] - [ -0.0005730300000000, -0.0035665000000000, 0.0028218300000000 ] - [ -0.0001980100000000, -0.0000967300000000, 0.0002035300000000 ] - [ -0.0001315700000000, -0.0003459200000000, -0.0000451300000000 ] - [ -0.0177739400000000, 0.0027327000000000, -0.0043828400000000 ] - [ 0.0000800200000000, -0.0005412200000000, 0.0001328300000000 ] - [ -0.0022141600000000, 0.0055035600000000, 0.0053026700000000 ] - [ -0.0004765500000000, 0.0047048400000000, 0.0025792200000000 ] - [ 0.0002685400000000, -0.0008375200000000, 0.0000389900000000 ] - [ -0.0012636500000000, 0.0000469800000000, -0.0004899700000000 ] - [ -0.0001920700000000, -0.0005534800000000, -0.0003384600000000 ] - [ 0.0000479600000000, -0.0004434600000000, -0.0002053100000000 ] - [ 0.0056424500000000, -0.0018749100000000, -0.0004503300000000 ] - [ -0.0002047100000000, 0.0003592700000000, -0.0068825700000000 ] - [ 0.0000109500000000, -0.0004542700000000, -0.0000095800000000 ] - [ -0.0001732900000000, 0.0001743400000000, -0.0000183600000000 ] - [ -0.0047208000000000, 0.0041051000000000, -0.0077535300000000 ] - [ -0.0013423600000000, -0.0011568300000000, -0.0011707300000000 ] - [ -0.0000195300000000, 0.0002516900000000, -0.0001205300000000 ] - [ -0.0001569400000000, 0.0009876200000000, -0.0000583300000000 ] - [ -0.0002881000000000, 0.0000703500000000, -0.0000684800000000 ] - [ 0.0003181100000000, 0.0053877200000000, 0.0064127400000000 ] - [ 0.0000156000000000, 0.0002378300000000, -0.0000434500000000 ] - [ 0.0041403300000000, -0.0008796000000000, 0.0046480900000000 ] - [ -0.0002000500000000, 0.0003150500000000, 0.0000151700000000 ] - [ 0.0000878900000000, 0.0003543900000000, 0.0000277000000000 ] - [ 0.0005424700000000, -0.0012963300000000, 0.0005925500000000 ] - [ -0.1469732100000000, -0.0925610500000000, 0.0073803100000000 ] - [ -0.0000140000000000, 0.0002269800000000, 0.0000181000000000 ] - [ -0.0003022200000000, 0.0004696600000000, 0.0002272800000000 ] - [ -0.0082750000000000, -0.0033393800000000, -0.0013815300000000 ] - [ 0.0005268500000000, 0.0002413900000000, -0.0001639600000000 ] - [ 0.0001401700000000, 0.0000740600000000, -0.0001360200000000 ] - [ 0.0054176200000000, -0.0008385600000000, -0.0027994700000000 ] - [ 0.0000260000000000, 0.0001612600000000, -0.0003583500000000 ] - [ -0.0001341700000000, 0.0123400600000000, -0.0087162900000000 ] - [ 0.0000304200000000, 0.0000636100000000, -0.0000401000000000 ] - [ -0.0004961000000000, 0.0018490800000000, 0.0001339200000000 ] - [ -0.0002101100000000, 0.0001236500000000, -0.0000246400000000 ] - [ 0.0025064200000000, 0.0012530200000000, 0.0001224500000000 ] - [ 0.0000982700000000, 0.0002530300000000, 0.0000943500000000 ] - [ 0.0004003700000000, 0.0005445400000000, -0.0001430200000000 ] - [ 0.0004171300000000, 0.0001414700000000, -0.0001326000000000 ] - [ 0.0075708000000000, -0.0009465700000000, -0.0050832200000000 ] - [ 0.0000989900000000, 0.0003564700000000, 0.0000617900000000 ] - [ 0.0000063800000000, 0.0003832200000000, -0.0001562400000000 ] - [ 0.0013832000000000, -0.0018800400000000, -0.0002235900000000 ] - [ 0.0016293600000000, -0.0004290000000000, -0.0007490200000000 ] - [ -0.0001055900000000, 0.0002701500000000, -0.0001142200000000 ] - [ -0.0020067500000000, -0.0020933200000000, -0.0041663900000000 ] - [ -0.0000243200000000, 0.0001746700000000, -0.0001172900000000 ] - [ 0.0336841400000000, 0.0214734100000000, 0.0021639100000000 ] - [ -0.0000630700000000, 0.0001162800000000, 0.0000748500000000 ] - [ 0.0017005300000000, 0.0005778000000000, -0.0006797900000000 ] - [ 0.0004345400000000, 0.0001003600000000, 0.0000054300000000 ] - [ 0.0044564700000000, -0.0025727700000000, 0.0019203600000000 ] - [ -0.0000622400000000, 0.0003150400000000, -0.0000566900000000 ] - [ 0.0002086800000000, 0.0001889700000000, 0.0001178500000000 ] - [ 0.0041713100000000, 0.0025535200000000, 0.0025292200000000 ] - [ 0.0013523000000000, -0.0004878500000000, 0.0002428400000000 ] - [ -0.0000043500000000, 0.0003146200000000, -0.0001008600000000 ] - [ 0.0004579300000000, 0.0003491100000000, 0.0002548600000000 ] - [ 0.0004569900000000, 0.0007337900000000, 0.0004067500000000 ] - [ 0.0016988200000000, -0.0065215600000000, 0.0022945600000000 ] - [ -0.0000997700000000, 0.0002724300000000, 0.0000892100000000 ] - [ -0.0004031900000000, -0.0012324000000000, 0.0001112600000000 ] - [ -0.0003485900000000, 0.0008155300000000, -0.0001007400000000 ] - [ 0.0009483100000000, -0.0009787100000000, -0.0024929200000000 ] - [ 0.0000265300000000, 0.0001859200000000, 0.0002989000000000 ] - [ -0.0004885200000000, 0.0002020500000000, 0.0003769300000000 ] - [ -0.0000890100000000, 0.0001508000000000, 0.0001315000000000 ] - [ -0.0000888700000000, 0.0003052300000000, -0.0000854200000000 ] - [ -0.0013624900000000, 0.0005000900000000, 0.0006063700000000 ] - [ -0.0018457400000000, 0.0004583800000000, 0.0058396900000000 ] - [ -0.0000412600000000, 0.0002272100000000, 0.0000014700000000 ] - [ -0.0010048900000000, -0.0014647000000000, 0.0015775800000000 ] - [ 0.0001973700000000, 0.0003080300000000, -0.0000064700000000 ] - [ -0.0000023900000000, 0.0003070900000000, 0.0000869000000000 ] - [ -0.0004919000000000, -0.0001187500000000, 0.0000765900000000 ] - [ 0.0004637300000000, -0.0000044100000000, 0.0023014000000000 ] - [ -0.0000505300000000, 0.0002360200000000, 0.0000574600000000 ] - [ -0.0001317700000000, 0.0003382700000000, 0.0002929900000000 ] - [ -0.0000948700000000, 0.0001762500000000, 0.0003881700000000 ] - [ -0.0012442400000000, 0.0005627500000000, -0.0013201400000000 ] - [ -0.0001744500000000, 0.0001391700000000, 0.0000137700000000 ] - [ 0.0001469000000000, 0.0001689400000000, 0.0000192500000000 ] - [ 0.0002994600000000, -0.0000054800000000, 0.0001717600000000 ]- atom: 59 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0071805300000000, 0.0005324400000000, 0.0002883300000000 ] - [ -0.0000052900000000, 0.0003105900000000, 0.0000595200000000 ] - [ 0.0001043700000000, 0.0005654700000000, 0.0001059300000000 ] - [ -0.0003664500000000, -0.0013159500000000, 0.0001065200000000 ] - [ 0.0016521100000000, -0.0008935200000000, 0.0026624900000000 ] - [ 0.0000075300000000, 0.0003362100000000, -0.0000120300000000 ] - [ 0.0001569900000000, 0.0000100300000000, 0.0003297900000000 ] - [ -0.0001262500000000, 0.0008575800000000, 0.0010312800000000 ] - [ -0.0034842000000000, 0.0021721600000000, -0.0005139900000000 ] - [ -0.0004163200000000, 0.0003503800000000, -0.0000342600000000 ] - [ 0.0001607900000000, 0.0007498300000000, 0.0002362400000000 ] - [ -0.0007301700000000, -0.0002002500000000, 0.0007398200000000 ] - [ -0.0000349000000000, 0.0004288300000000, -0.0000046400000000 ] - [ 0.0046041000000000, -0.0028727200000000, -0.0002047800000000 ] - [ 0.0056287900000000, -0.0001068100000000, -0.0002578100000000 ] - [ 0.0000676000000000, 0.0003507500000000, -0.0000031100000000 ] - [ 0.0003621100000000, 0.0002979800000000, -0.0000035600000000 ] - [ 0.0025735300000000, 0.0005250600000000, 0.0001258100000000 ] - [ -0.0318461800000000, 0.0149480300000000, -0.0241192300000000 ] - [ -0.0000983800000000, 0.0006056800000000, 0.0000238800000000 ] - [ -0.0011887200000000, 0.0001950500000000, 0.0002305500000000 ] - [ -0.0018718400000000, 0.0012048400000000, 0.0000569500000000 ] - [ 0.0000817400000000, 0.0004117000000000, -0.0000071500000000 ] - [ -0.0022753100000000, -0.0017938100000000, -0.0026232100000000 ] - [ -0.0000586400000000, 0.0002385400000000, 0.0002577000000000 ] - [ 0.0002196100000000, 0.0003322100000000, 0.0000590000000000 ] - [ 0.0006498400000000, -0.0000354900000000, -0.0016803700000000 ] - [ -0.0000044400000000, 0.0000120700000000, -0.0000158500000000 ] - [ -0.0000572100000000, 0.0004637900000000, 0.0001860100000000 ] - [ -0.0821098200000000, -0.0734140900000000, 0.0273543600000000 ] - [ 0.0022810700000000, 0.0012395700000000, 0.0003621600000000 ] - [ 0.0003491100000000, 0.0003926800000000, 0.0002968000000000 ] - [ 0.0001151300000000, 0.0038490600000000, -0.0026819100000000 ] - [ -0.0002627300000000, 0.0003434800000000, -0.0000475000000000 ] - [ -0.0000606800000000, 0.0003822300000000, -0.0001468700000000 ] - [ 0.0176284900000000, -0.0027028500000000, 0.0042054400000000 ] - [ 0.0001138000000000, 0.0005779500000000, 0.0000595000000000 ] - [ 0.0024304100000000, -0.0054272400000000, -0.0050632900000000 ] - [ 0.0009291200000000, -0.0044522300000000, -0.0027438100000000 ] - [ 0.0001893900000000, 0.0010912300000000, -0.0002003900000000 ] - [ 0.0012337600000000, -0.0000641300000000, -0.0002212400000000 ] - [ 0.0001591600000000, 0.0005482400000000, -0.0003725200000000 ] - [ -0.0001023200000000, 0.0004530200000000, -0.0002129400000000 ] - [ -0.0056849900000000, 0.0018668700000000, -0.0000030000000000 ] - [ 0.0002199800000000, -0.0003207300000000, 0.0068544200000000 ] - [ -0.0000102200000000, 0.0005172600000000, 0.0000092400000000 ] - [ -0.0001117200000000, -0.0000982400000000, -0.0000021100000000 ] - [ 0.0044745800000000, -0.0040316000000000, 0.0077302000000000 ] - [ 0.0016303800000000, 0.0011388600000000, 0.0010624000000000 ] - [ 0.0003051300000000, -0.0002626200000000, 0.0000136300000000 ] - [ 0.0001856000000000, -0.0008972000000000, -0.0000978100000000 ] - [ 0.0003105100000000, 0.0000209100000000, -0.0000966300000000 ] - [ -0.0000809600000000, -0.0054308700000000, -0.0064378100000000 ] - [ 0.0002480400000000, -0.0003090700000000, 0.0000013300000000 ] - [ -0.0043240200000000, 0.0008972700000000, -0.0046191700000000 ] - [ -0.0000156700000000, -0.0003009900000000, -0.0000340800000000 ] - [ -0.0002386500000000, -0.0003870500000000, -0.0000254700000000 ] - [ -0.0006993300000000, 0.0012471500000000, -0.0005869000000000 ] - [ 0.1458798700000000, 0.0939206400000000, -0.0080239600000000 ] - [ -0.0000610600000000, -0.0003989900000000, 0.0001689600000000 ] - [ 0.0002544100000000, -0.0002646000000000, 0.0000038900000000 ] - [ 0.0082413400000000, 0.0036807300000000, 0.0016010700000000 ] - [ -0.0004287100000000, -0.0003361300000000, -0.0000609700000000 ] - [ -0.0000422800000000, -0.0001731200000000, -0.0000921200000000 ] - [ -0.0054617100000000, 0.0008715000000000, 0.0021764800000000 ] - [ -0.0000571100000000, -0.0001283700000000, -0.0002823500000000 ] - [ 0.0001395900000000, -0.0127033300000000, 0.0087712000000000 ] - [ 0.0000107700000000, -0.0004387300000000, 0.0001037600000000 ] - [ 0.0005312800000000, -0.0017226200000000, -0.0001432100000000 ] - [ 0.0002383600000000, 0.0000193700000000, 0.0000265400000000 ] - [ -0.0025232600000000, -0.0013154300000000, -0.0000860300000000 ] - [ -0.0001243700000000, -0.0003317000000000, -0.0000591500000000 ] - [ -0.0004548000000000, -0.0003462300000000, -0.0000051200000000 ] - [ -0.0004725200000000, 0.0000465000000000, -0.0000126100000000 ] - [ -0.0074146400000000, 0.0009714000000000, 0.0049754100000000 ] - [ -0.0000160700000000, -0.0003300200000000, -0.0001086400000000 ] - [ -0.0000836400000000, -0.0004370600000000, 0.0000671500000000 ] - [ -0.0014660100000000, 0.0018128300000000, 0.0001323100000000 ] - [ -0.0022389500000000, 0.0004025500000000, 0.0006072900000000 ] - [ -0.0005073000000000, -0.0003006300000000, -0.0000270100000000 ] - [ 0.0020165200000000, 0.0020640400000000, 0.0039735800000000 ] - [ 0.0000656300000000, -0.0002011900000000, -0.0000730100000000 ] - [ -0.0341971900000000, -0.0219380500000000, -0.0020067300000000 ] - [ 0.0000217700000000, -0.0001427100000000, 0.0001167500000000 ] - [ -0.0010922600000000, -0.0006074500000000, 0.0008239500000000 ] - [ 0.0001770200000000, -0.0001290000000000, 0.0001366800000000 ] - [ -0.0045358400000000, 0.0026044500000000, -0.0018815100000000 ] - [ -0.0000206100000000, -0.0002890300000000, 0.0001043300000000 ] - [ -0.0001302600000000, -0.0002424200000000, -0.0000296600000000 ] - [ -0.0041136900000000, -0.0026307400000000, -0.0024640200000000 ] - [ -0.0013231900000000, 0.0004185600000000, -0.0002843700000000 ] - [ 0.0000321800000000, -0.0003929100000000, 0.0000635400000000 ] - [ -0.0004056900000000, -0.0001531600000000, -0.0001066900000000 ] - [ -0.0004059900000000, -0.0005468700000000, -0.0002617200000000 ] - [ -0.0017377300000000, 0.0061707100000000, -0.0023781700000000 ] - [ 0.0000581300000000, -0.0006496200000000, -0.0001520400000000 ] - [ 0.0003708800000000, 0.0013648900000000, -0.0001021400000000 ] - [ 0.0003239100000000, -0.0006841300000000, 0.0001133600000000 ] - [ -0.0009194300000000, 0.0010030100000000, 0.0031115200000000 ] - [ 0.0000052900000000, -0.0001537800000000, 0.0003424500000000 ] - [ 0.0003890200000000, -0.0002980900000000, -0.0001474500000000 ] - [ -0.0000080200000000, -0.0002490900000000, 0.0000957700000000 ] - [ 0.0001384300000000, -0.0000991600000000, -0.0001465500000000 ] - [ 0.0014161700000000, -0.0002951400000000, -0.0008313900000000 ] - [ 0.0019540400000000, -0.0006319400000000, -0.0060075200000000 ] - [ 0.0001174000000000, -0.0004010000000000, -0.0001865000000000 ] - [ 0.0012140100000000, 0.0014745600000000, -0.0015521400000000 ] - [ 0.0000167300000000, -0.0002948800000000, 0.0000251700000000 ] - [ 0.0001540200000000, -0.0003399300000000, -0.0000888900000000 ] - [ 0.0006430500000000, 0.0000807600000000, -0.0000803400000000 ] - [ -0.0007252100000000, -0.0000660700000000, -0.0022500500000000 ] - [ -0.0002129800000000, -0.0003094100000000, -0.0000143100000000 ] - [ 0.0001024800000000, -0.0002482000000000, -0.0001364800000000 ] - [ 0.0000656000000000, -0.0000898400000000, -0.0002308600000000 ] - [ 0.0009634400000000, -0.0005773600000000, 0.0014314500000000 ] - [ -0.0001072900000000, -0.0001513900000000, 0.0000964700000000 ] - [ 0.0001381600000000, -0.0000932500000000, 0.0000019900000000 ] - [ -0.0000185400000000, 0.0000786900000000, -0.0001332500000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020408600000000, 0.0124742900000000, -0.0030875400000000 ] - [ 0.0000531200000000, -0.0017114800000000, 0.0000773400000000 ] - [ -0.0006433700000000, -0.0019923700000000, -0.0003636400000000 ] - [ 0.0057462700000000, -0.0028657200000000, 0.0003248900000000 ] - [ 0.0019536600000000, 0.0041104400000000, 0.0011356600000000 ] - [ 0.0000051500000000, -0.0016291500000000, -0.0001483300000000 ] - [ 0.0003570800000000, -0.0016237600000000, 0.0003201900000000 ] - [ -0.0004513600000000, -0.0002716000000000, -0.0006350400000000 ] - [ -0.0004796300000000, -0.0032149600000000, -0.0031571500000000 ] - [ -0.0001840500000000, -0.0030023100000000, 0.0007476700000000 ] - [ -0.0002954100000000, -0.0019849800000000, -0.0003474100000000 ] - [ 0.0010113500000000, -0.0000515700000000, 0.0014270600000000 ] - [ -0.0000304800000000, -0.0020983400000000, -0.0000038500000000 ] - [ -0.0011330200000000, 0.0039308000000000, 0.0009124100000000 ] - [ -0.0015185900000000, 0.0049083600000000, 0.0003270900000000 ] - [ -0.0000117100000000, -0.0026777700000000, -0.0000073600000000 ] - [ -0.0001502900000000, -0.0023189800000000, -0.0000382500000000 ] - [ -0.0002362100000000, -0.0008866100000000, -0.0000728200000000 ] - [ -0.0133933000000000, 0.0522068100000000, -0.0402946400000000 ] - [ -0.0000050500000000, -0.0028501900000000, -0.0000771000000000 ] - [ 0.0005416700000000, -0.0037609900000000, 0.0001635100000000 ] - [ -0.0032158500000000, -0.0062343200000000, -0.0109136600000000 ] - [ 0.0000004000000000, -0.0021182600000000, -0.0000147800000000 ] - [ 0.0042767700000000, 0.0038915000000000, 0.0053559400000000 ] - [ 0.0015189700000000, 0.0001517300000000, 0.0014651500000000 ] - [ -0.0000120200000000, -0.0016936900000000, -0.0001699400000000 ] - [ -0.0023302400000000, 0.0005881700000000, 0.0012567500000000 ] - [ 0.0000090800000000, -0.0002434000000000, 0.0000031400000000 ] - [ 0.0001513900000000, -0.0030201800000000, 0.0000890400000000 ] - [ 0.0681933000000000, 0.1601127500000000, -0.0518268400000000 ] - [ 0.0010094200000000, 0.0000337500000000, 0.0000701500000000 ] - [ -0.0003198600000000, -0.0020684800000000, 0.0004186300000000 ] - [ -0.0020664100000000, -0.0093073200000000, 0.0063946000000000 ] - [ 0.0001798200000000, -0.0036801900000000, -0.0009910500000000 ] - [ 0.0000091100000000, -0.0026042800000000, -0.0000650600000000 ] - [ -0.0100961300000000, 0.0052379900000000, -0.0043444700000000 ] - [ -0.0000085700000000, -0.0026996400000000, 0.0001057800000000 ] - [ 0.0011418400000000, 0.0058994000000000, 0.0016267500000000 ] - [ 0.0043609900000000, -0.0048366900000000, -0.0008281400000000 ] - [ -0.0007151900000000, -0.0035024600000000, 0.0000507500000000 ] - [ -0.0027713400000000, 0.0007934700000000, -0.0008051700000000 ] - [ 0.0004092400000000, -0.0018978400000000, -0.0000440500000000 ] - [ -0.0000620700000000, -0.0028579900000000, -0.0000751200000000 ] - [ -0.0022070400000000, 0.0078138900000000, -0.0010226200000000 ] - [ -0.0024062000000000, 0.0094221200000000, -0.0037822500000000 ] - [ 0.0001424200000000, -0.0027093400000000, 0.0001612800000000 ] - [ -0.0001560800000000, 0.0008331300000000, 0.0000730000000000 ] - [ 0.0056656600000000, 0.0014177100000000, -0.0123110300000000 ] - [ -0.0013588000000000, 0.0031094000000000, 0.0009096600000000 ] - [ 0.0003708000000000, 0.0015444900000000, -0.0001136600000000 ] - [ 0.0007968800000000, 0.0019426400000000, 0.0004737300000000 ] - [ -0.0008797400000000, 0.0021820900000000, -0.0018013000000000 ] - [ 0.0058579400000000, 0.0024998400000000, 0.0100892200000000 ] - [ -0.0004893800000000, 0.0018406700000000, -0.0002847900000000 ] - [ 0.0017567800000000, -0.0049496100000000, -0.0001351400000000 ] - [ -0.0007025200000000, 0.0016850300000000, 0.0001178700000000 ] - [ 0.0004958500000000, 0.0015538600000000, 0.0000262200000000 ] - [ -0.0016237700000000, -0.0010616100000000, -0.0011141500000000 ] - [ -0.0905780300000000, -0.2813410600000000, 0.1224947200000000 ] - [ 0.0002677700000000, 0.0018680200000000, -0.0003898200000000 ] - [ -0.0003921600000000, 0.0023004800000000, 0.0008305900000000 ] - [ 0.0039247000000000, 0.0325327700000000, 0.0038220900000000 ] - [ -0.0000843000000000, -0.0001860000000000, -0.0002389900000000 ] - [ 0.0000921800000000, 0.0007029800000000, -0.0001259300000000 ] - [ 0.0030716300000000, -0.0015438000000000, -0.0009585100000000 ] - [ -0.0000463400000000, 0.0008632900000000, -0.0003207000000000 ] - [ 0.0104596100000000, 0.0231902500000000, -0.0190978400000000 ] - [ 0.0002344000000000, 0.0019736300000000, -0.0003752700000000 ] - [ -0.0003131600000000, 0.0041902900000000, 0.0002530200000000 ] - [ -0.0016229600000000, 0.0041688900000000, 0.0028155400000000 ] - [ 0.0013328700000000, -0.0015200900000000, -0.0002375600000000 ] - [ 0.0002758400000000, 0.0015457100000000, 0.0004241800000000 ] - [ -0.0000640200000000, 0.0009895700000000, -0.0001789900000000 ] - [ -0.0004693200000000, 0.0010147700000000, -0.0002425400000000 ] - [ 0.0012844200000000, -0.0052867800000000, -0.0019793700000000 ] - [ 0.0002654900000000, 0.0018162500000000, 0.0004498700000000 ] - [ -0.0000580300000000, 0.0017419200000000, -0.0004795500000000 ] - [ -0.0008126000000000, -0.0014076300000000, 0.0007517600000000 ] - [ -0.0024908500000000, 0.0003721900000000, 0.0005276900000000 ] - [ 0.0002952600000000, 0.0008905100000000, -0.0001790700000000 ] - [ -0.0003219700000000, -0.0025545100000000, 0.0016861000000000 ] - [ 0.0000779400000000, 0.0010052100000000, -0.0001204000000000 ] - [ 0.0229025100000000, 0.0022888300000000, 0.0028499600000000 ] - [ -0.0001347300000000, 0.0009983700000000, 0.0000903400000000 ] - [ 0.0043773500000000, 0.0013393500000000, -0.0018463300000000 ] - [ -0.0003380800000000, 0.0009491200000000, 0.0002989000000000 ] - [ 0.0015868300000000, -0.0048230400000000, 0.0021470000000000 ] - [ -0.0002646600000000, 0.0017899400000000, -0.0004419300000000 ] - [ 0.0001604900000000, 0.0016585600000000, 0.0004649800000000 ] - [ 0.0018720200000000, 0.0000774900000000, 0.0010680100000000 ] - [ 0.0003414600000000, -0.0022280800000000, 0.0004057300000000 ] - [ -0.0003178100000000, 0.0015448600000000, -0.0004784300000000 ] - [ 0.0005878400000000, 0.0009982700000000, 0.0003902500000000 ] - [ 0.0002807000000000, 0.0010068600000000, 0.0003481700000000 ] - [ -0.0067198300000000, 0.0035369500000000, -0.0039893200000000 ] - [ -0.0001858100000000, 0.0019050400000000, 0.0005838900000000 ] - [ -0.0002941300000000, 0.0025415300000000, -0.0007768400000000 ] - [ 0.0016098300000000, 0.0026811600000000, 0.0007688200000000 ] - [ -0.0001815000000000, -0.0016010700000000, -0.0025372600000000 ] - [ 0.0000616000000000, 0.0008763000000000, 0.0003047100000000 ] - [ 0.0000527700000000, 0.0000212700000000, 0.0011462800000000 ] - [ -0.0000485400000000, 0.0008445400000000, -0.0003267300000000 ] - [ 0.0002078600000000, 0.0021104800000000, -0.0008275800000000 ] - [ 0.0004164000000000, -0.0023815000000000, 0.0030236700000000 ] - [ -0.0004764800000000, -0.0078694300000000, -0.0037421800000000 ] - [ -0.0002693500000000, 0.0017896100000000, 0.0004025400000000 ] - [ -0.0020926400000000, -0.0043687000000000, 0.0003585400000000 ] - [ 0.0006408900000000, 0.0016620400000000, -0.0001661300000000 ] - [ -0.0003330400000000, 0.0014905000000000, 0.0000988500000000 ] - [ -0.0005929700000000, -0.0007210200000000, -0.0010152200000000 ] - [ -0.0001648100000000, -0.0023129000000000, 0.0004073000000000 ] - [ 0.0003341500000000, 0.0014771800000000, 0.0001626500000000 ] - [ -0.0004698700000000, 0.0010299000000000, -0.0001648300000000 ] - [ -0.0003216300000000, 0.0007998000000000, -0.0000202600000000 ] - [ -0.0018275600000000, 0.0015175900000000, -0.0034337100000000 ] - [ 0.0001300000000000, 0.0010893800000000, 0.0006026200000000 ] - [ 0.0001415500000000, 0.0007901100000000, -0.0000582400000000 ] - [ 0.0009803400000000, -0.0015943700000000, -0.0004763800000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024093000000000, -0.0122360900000000, 0.0032075900000000 ] - [ -0.0000773400000000, 0.0017789300000000, 0.0000374900000000 ] - [ 0.0006149700000000, 0.0019169500000000, 0.0004004300000000 ] - [ -0.0058264000000000, 0.0028008100000000, -0.0002935000000000 ] - [ -0.0019434400000000, -0.0040364500000000, -0.0012643600000000 ] - [ 0.0000269500000000, 0.0016939500000000, 0.0000185500000000 ] - [ -0.0003386400000000, 0.0015518300000000, -0.0003447100000000 ] - [ 0.0004735400000000, 0.0001880700000000, 0.0006185300000000 ] - [ 0.0000947300000000, 0.0032736800000000, 0.0030823800000000 ] - [ -0.0001870800000000, 0.0030602900000000, -0.0008202500000000 ] - [ 0.0002949600000000, 0.0022946400000000, 0.0003473300000000 ] - [ -0.0010201700000000, 0.0003464900000000, -0.0014403000000000 ] - [ -0.0001533300000000, 0.0021103800000000, -0.0000123000000000 ] - [ 0.0009447500000000, -0.0039524500000000, -0.0009332400000000 ] - [ 0.0015292600000000, -0.0051317700000000, -0.0003278900000000 ] - [ 0.0000110800000000, 0.0024429500000000, 0.0000079900000000 ] - [ 0.0001497300000000, 0.0019833500000000, 0.0000374700000000 ] - [ 0.0002346800000000, 0.0005324700000000, 0.0000738900000000 ] - [ 0.0125454400000000, -0.0510297000000000, 0.0381703100000000 ] - [ 0.0000059600000000, 0.0030847600000000, 0.0000775500000000 ] - [ -0.0005384300000000, 0.0035064400000000, -0.0001632300000000 ] - [ 0.0032471000000000, 0.0059964600000000, 0.0110058100000000 ] - [ 0.0001839200000000, 0.0021298700000000, 0.0000317700000000 ] - [ -0.0040920100000000, -0.0039003600000000, -0.0053594700000000 ] - [ -0.0011410800000000, -0.0000927800000000, -0.0013976100000000 ] - [ 0.0003852500000000, 0.0017399800000000, 0.0002367300000000 ] - [ 0.0023447500000000, -0.0006367400000000, -0.0012601600000000 ] - [ -0.0000097700000000, 0.0001935200000000, -0.0000021700000000 ] - [ -0.0000919900000000, 0.0030244200000000, 0.0003303400000000 ] - [ -0.0734310500000000, -0.1676578000000000, 0.0563488600000000 ] - [ -0.0009509300000000, -0.0000210900000000, 0.0006733700000000 ] - [ 0.0003786700000000, 0.0020704800000000, 0.0003256600000000 ] - [ 0.0016178100000000, 0.0095784900000000, -0.0062716700000000 ] - [ -0.0006366700000000, 0.0039595300000000, 0.0011264800000000 ] - [ -0.0002036100000000, 0.0026387400000000, -0.0001144600000000 ] - [ 0.0098874700000000, -0.0052185900000000, 0.0041605600000000 ] - [ 0.0002041900000000, 0.0027339700000000, 0.0000738000000000 ] - [ -0.0009152900000000, -0.0059124900000000, -0.0014529400000000 ] - [ -0.0038956300000000, 0.0051114000000000, 0.0007182000000000 ] - [ 0.0011773200000000, 0.0037802000000000, -0.0001770800000000 ] - [ 0.0027076800000000, -0.0007820400000000, 0.0000615000000000 ] - [ -0.0004700100000000, 0.0018983600000000, -0.0007042600000000 ] - [ 0.0000032800000000, 0.0028622900000000, -0.0003455100000000 ] - [ 0.0021554800000000, -0.0079078600000000, 0.0005711700000000 ] - [ 0.0024034200000000, -0.0093151700000000, 0.0038046500000000 ] - [ -0.0001436700000000, 0.0028106600000000, -0.0001629200000000 ] - [ -0.0001159500000000, -0.0007640400000000, -0.0001181600000000 ] - [ -0.0060320000000000, -0.0013242100000000, 0.0123662100000000 ] - [ 0.0016226200000000, -0.0031091600000000, -0.0010032800000000 ] - [ -0.0001007600000000, -0.0015653800000000, 0.0000197900000000 ] - [ -0.0007716900000000, -0.0018598300000000, -0.0006306500000000 ] - [ 0.0009144800000000, -0.0021018400000000, 0.0016582900000000 ] - [ -0.0055626500000000, -0.0025579700000000, -0.0100702200000000 ] - [ 0.0007405600000000, -0.0019093800000000, 0.0002402500000000 ] - [ -0.0019787500000000, 0.0049732000000000, 0.0001006000000000 ] - [ 0.0005009500000000, -0.0016720800000000, -0.0001319900000000 ] - [ -0.0006400200000000, -0.0015976600000000, -0.0000311400000000 ] - [ 0.0014971500000000, 0.0010348700000000, 0.0011164700000000 ] - [ 0.0963804200000000, 0.2879366000000000, -0.1242472600000000 ] - [ -0.0003530700000000, -0.0020458900000000, 0.0005928200000000 ] - [ 0.0003439600000000, -0.0021076900000000, -0.0005823600000000 ] - [ -0.0040313400000000, -0.0330486300000000, -0.0036081300000000 ] - [ 0.0001917200000000, 0.0000842800000000, 0.0000112500000000 ] - [ 0.0000181600000000, -0.0008002300000000, -0.0001010600000000 ] - [ -0.0030976000000000, 0.0015813600000000, 0.0003463400000000 ] - [ 0.0000227100000000, -0.0008340900000000, -0.0003056000000000 ] - [ -0.0102583500000000, -0.0233327000000000, 0.0189041400000000 ] - [ -0.0001898000000000, -0.0023560700000000, 0.0004379000000000 ] - [ 0.0003555300000000, -0.0040511100000000, -0.0002600500000000 ] - [ 0.0016815900000000, -0.0040621800000000, -0.0028484900000000 ] - [ -0.0013591400000000, 0.0014334400000000, 0.0002753400000000 ] - [ -0.0002975800000000, -0.0016231000000000, -0.0003857400000000 ] - [ 0.0000071700000000, -0.0007959900000000, 0.0000422700000000 ] - [ 0.0004140900000000, -0.0008117500000000, 0.0001018800000000 ] - [ -0.0012455800000000, 0.0053081200000000, 0.0019515100000000 ] - [ -0.0001869200000000, -0.0017981800000000, -0.0005021200000000 ] - [ -0.0000280100000000, -0.0018058300000000, 0.0003927400000000 ] - [ 0.0007267200000000, 0.0013662200000000, -0.0008504500000000 ] - [ 0.0018782800000000, -0.0004023600000000, -0.0006475600000000 ] - [ -0.0009096000000000, -0.0009174400000000, 0.0000619300000000 ] - [ 0.0003524100000000, 0.0025610600000000, -0.0018740800000000 ] - [ -0.0000306000000000, -0.0010382500000000, -0.0000853700000000 ] - [ -0.0230869900000000, -0.0022612800000000, -0.0026540000000000 ] - [ 0.0000866400000000, -0.0010314800000000, 0.0001151200000000 ] - [ -0.0037520800000000, -0.0013608300000000, 0.0019572200000000 ] - [ 0.0009535400000000, -0.0009762600000000, -0.0001834600000000 ] - [ -0.0016698300000000, 0.0048508800000000, -0.0021011900000000 ] - [ 0.0001858200000000, -0.0017724700000000, 0.0004949200000000 ] - [ -0.0000725900000000, -0.0017229700000000, -0.0003792200000000 ] - [ -0.0017811400000000, -0.0001271800000000, -0.0009772600000000 ] - [ -0.0003163100000000, 0.0021447300000000, -0.0004437900000000 ] - [ 0.0003407500000000, -0.0016211600000000, 0.0004385100000000 ] - [ -0.0005297900000000, -0.0008031900000000, -0.0002509700000000 ] - [ -0.0002237100000000, -0.0008021000000000, -0.0002069000000000 ] - [ 0.0066497800000000, -0.0039300300000000, 0.0038949200000000 ] - [ 0.0001405300000000, -0.0022858400000000, -0.0006474100000000 ] - [ 0.0002491400000000, -0.0024147300000000, 0.0007814000000000 ] - [ -0.0016682800000000, -0.0025580000000000, -0.0007742800000000 ] - [ 0.0001944300000000, 0.0016393600000000, 0.0031677400000000 ] - [ -0.0000375700000000, -0.0008475000000000, 0.0003220900000000 ] - [ -0.0001585700000000, -0.0001229500000000, -0.0009196900000000 ] - [ -0.0000623400000000, -0.0009425500000000, 0.0005573300000000 ] - [ -0.0001601500000000, -0.0019180000000000, 0.0005785900000000 ] - [ -0.0003667700000000, 0.0026128800000000, -0.0032997900000000 ] - [ 0.0005959800000000, 0.0077110800000000, 0.0036499800000000 ] - [ 0.0003537700000000, -0.0019676400000000, -0.0006045500000000 ] - [ 0.0023045500000000, 0.0043923200000000, -0.0003451500000000 ] - [ -0.0004396100000000, -0.0016490300000000, 0.0001796800000000 ] - [ 0.0004782900000000, -0.0015341600000000, -0.0000936600000000 ] - [ 0.0007364600000000, 0.0006902300000000, 0.0010280400000000 ] - [ -0.0000808400000000, 0.0022359900000000, -0.0003573000000000 ] - [ -0.0005849500000000, -0.0015444800000000, -0.0001177700000000 ] - [ 0.0004457500000000, -0.0009460600000000, 0.0003225600000000 ] - [ 0.0002970100000000, -0.0007059500000000, 0.0001805000000000 ] - [ 0.0015443400000000, -0.0015312800000000, 0.0035173400000000 ] - [ -0.0004050600000000, -0.0011062500000000, -0.0005125400000000 ] - [ 0.0001303700000000, -0.0007217400000000, 0.0001036600000000 ] - [ -0.0007148400000000, 0.0016785400000000, 0.0005428700000000 ]- atom: 59 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0019069000000000, -0.0020577600000000, 0.0098489600000000 ] - [ -0.0000043000000000, 0.0005565900000000, 0.0001112600000000 ] - [ 0.0002322800000000, 0.0006881700000000, 0.0007348700000000 ] - [ -0.0009664000000000, -0.0000014300000000, 0.0007669500000000 ] - [ -0.0026699200000000, -0.0003014700000000, -0.0006527200000000 ] - [ -0.0000257900000000, 0.0005544400000000, -0.0000574600000000 ] - [ -0.0001076400000000, 0.0003858700000000, -0.0001037100000000 ] - [ -0.0008434600000000, 0.0002713500000000, 0.0000036100000000 ] - [ 0.0000155200000000, -0.0020394800000000, 0.0003345700000000 ] - [ -0.0003062600000000, 0.0010866900000000, -0.0000374600000000 ] - [ -0.0001599800000000, 0.0005165000000000, -0.0001656700000000 ] - [ -0.0011854500000000, 0.0011267400000000, 0.0000502400000000 ] - [ -0.0001507400000000, 0.0006180100000000, -0.0000263600000000 ] - [ 0.0005880300000000, -0.0009385100000000, -0.0011969400000000 ] - [ 0.0037152700000000, -0.0005013000000000, 0.0000113900000000 ] - [ 0.0000547900000000, 0.0007112600000000, -0.0000111100000000 ] - [ 0.0003247000000000, 0.0005571600000000, 0.0000646000000000 ] - [ 0.0015609300000000, 0.0000509500000000, -0.0000267900000000 ] - [ 0.0028140800000000, -0.0292101000000000, 0.0514176400000000 ] - [ -0.0000651800000000, 0.0009866600000000, 0.0000585200000000 ] - [ -0.0011173400000000, 0.0012937300000000, 0.0003635900000000 ] - [ -0.0004751600000000, 0.0000932600000000, 0.0028845100000000 ] - [ 0.0001750000000000, 0.0005980500000000, -0.0000235800000000 ] - [ -0.0049374600000000, -0.0011750100000000, -0.0093498600000000 ] - [ -0.0014043600000000, -0.0001204000000000, -0.0013607300000000 ] - [ 0.0001503200000000, 0.0005829900000000, -0.0000553800000000 ] - [ 0.0040795000000000, -0.0006483900000000, -0.0023438900000000 ] - [ 0.0000054900000000, 0.0000395300000000, -0.0000202400000000 ] - [ -0.0000524700000000, 0.0009073700000000, 0.0003193000000000 ] - [ -0.0631644600000000, -0.0823456500000000, 0.0634930300000000 ] - [ 0.0005801200000000, 0.0003487600000000, 0.0009117500000000 ] - [ 0.0002405300000000, 0.0007007500000000, 0.0004211800000000 ] - [ 0.0013889400000000, 0.0076131000000000, -0.0055684500000000 ] - [ -0.0001528000000000, 0.0006896900000000, 0.0000159900000000 ] - [ -0.0001258000000000, 0.0008074400000000, -0.0000835100000000 ] - [ 0.0094568600000000, -0.0026579800000000, 0.0035225100000000 ] - [ 0.0001964300000000, 0.0009933700000000, 0.0000173600000000 ] - [ 0.0075472300000000, -0.0051236200000000, -0.0045563100000000 ] - [ 0.0000318100000000, 0.0005940000000000, 0.0020512000000000 ] - [ 0.0003289500000000, 0.0011668600000000, 0.0001236100000000 ] - [ 0.0022432100000000, -0.0002706100000000, -0.0018695900000000 ] - [ 0.0000799000000000, 0.0008313000000000, -0.0006779200000000 ] - [ -0.0000489500000000, 0.0009742000000000, -0.0003427800000000 ] - [ -0.0013440800000000, -0.0076886200000000, -0.0065620700000000 ] - [ -0.0035744000000000, -0.0020273300000000, -0.0016648900000000 ] - [ -0.0000654400000000, 0.0009097800000000, -0.0000491600000000 ] - [ -0.0001362800000000, -0.0001876800000000, -0.0000713200000000 ] - [ -0.0081507700000000, -0.0141451300000000, 0.0195532300000000 ] - [ 0.0000912700000000, 0.0008984400000000, -0.0014496800000000 ] - [ 0.0001228800000000, -0.0004717400000000, -0.0002048200000000 ] - [ 0.0000964000000000, 0.0003146100000000, -0.0003882600000000 ] - [ 0.0002566500000000, -0.0006467800000000, -0.0001584200000000 ] - [ 0.0032833400000000, 0.0042409100000000, 0.0005532100000000 ] - [ 0.0003396200000000, -0.0006388700000000, 0.0000261400000000 ] - [ 0.0006187500000000, 0.0008569400000000, -0.0007228400000000 ] - [ 0.0000841900000000, -0.0005050600000000, -0.0000534100000000 ] - [ -0.0001309300000000, -0.0003787000000000, -0.0000394200000000 ] - [ 0.0004783900000000, 0.0001326900000000, -0.0000468000000000 ] - [ 0.0802924000000000, 0.1544046500000000, -0.1447035200000000 ] - [ -0.0001187400000000, -0.0006713700000000, 0.0002084400000000 ] - [ 0.0002066900000000, -0.0006754700000000, -0.0003463700000000 ] - [ 0.0028069700000000, -0.0008926700000000, -0.0063733900000000 ] - [ 0.0001595700000000, 0.0000448900000000, -0.0000066600000000 ] - [ 0.0000023900000000, -0.0003258500000000, -0.0001211700000000 ] - [ -0.0027518100000000, 0.0005758400000000, -0.0000140500000000 ] - [ -0.0000000900000000, -0.0002360100000000, -0.0003267100000000 ] - [ -0.0057321500000000, -0.0219756300000000, 0.0111669400000000 ] - [ -0.0000412000000000, -0.0006946200000000, 0.0001402400000000 ] - [ 0.0005277100000000, -0.0032905900000000, -0.0003910300000000 ] - [ 0.0002975400000000, -0.0004308900000000, -0.0006196400000000 ] - [ -0.0014144400000000, -0.0004281400000000, -0.0007649600000000 ] - [ -0.0001363700000000, -0.0005475300000000, -0.0001308100000000 ] - [ -0.0002491100000000, -0.0002594600000000, -0.0001850500000000 ] - [ -0.0001774600000000, -0.0000702500000000, -0.0001747200000000 ] - [ -0.0065948200000000, 0.0014665100000000, 0.0030485600000000 ] - [ -0.0000591900000000, -0.0005899100000000, -0.0001803700000000 ] - [ -0.0001478700000000, -0.0007046400000000, 0.0000907200000000 ] - [ -0.0016003200000000, 0.0018091300000000, -0.0002745200000000 ] - [ -0.0004335800000000, -0.0000768500000000, -0.0004226500000000 ] - [ -0.0004518500000000, -0.0003379300000000, -0.0000971100000000 ] - [ -0.0029432400000000, 0.0049346900000000, 0.0060583200000000 ] - [ 0.0000111600000000, -0.0003816600000000, -0.0000628700000000 ] - [ -0.0163503400000000, -0.0091294200000000, -0.0077974400000000 ] - [ 0.0000357200000000, -0.0003156300000000, 0.0000862700000000 ] - [ -0.0029404600000000, -0.0011154200000000, 0.0018353600000000 ] - [ 0.0001998300000000, -0.0002544600000000, 0.0001556300000000 ] - [ -0.0021706500000000, 0.0024591100000000, -0.0016060000000000 ] - [ 0.0000274800000000, -0.0005471600000000, 0.0001730800000000 ] - [ -0.0000487400000000, -0.0005272600000000, -0.0000880900000000 ] - [ -0.0022730900000000, -0.0011999100000000, -0.0013320600000000 ] - [ -0.0007964000000000, 0.0005807700000000, 0.0003221100000000 ] - [ 0.0000909600000000, -0.0006105800000000, 0.0001751900000000 ] - [ -0.0004521000000000, -0.0002035500000000, 0.0001670200000000 ] - [ -0.0002920100000000, -0.0004612100000000, 0.0000496600000000 ] - [ 0.0029019800000000, -0.0012026700000000, -0.0017651100000000 ] - [ 0.0000669300000000, -0.0008201700000000, -0.0002495200000000 ] - [ 0.0002238100000000, -0.0002725300000000, -0.0003065100000000 ] - [ 0.0000340600000000, -0.0004438600000000, -0.0003391300000000 ] - [ -0.0022623200000000, 0.0010115100000000, 0.0062741200000000 ] - [ -0.0000475800000000, -0.0002644300000000, 0.0003863700000000 ] - [ -0.0004773800000000, 0.0004552400000000, 0.0011918600000000 ] - [ -0.0000191000000000, -0.0004854400000000, 0.0002915100000000 ] - [ 0.0001226100000000, -0.0005902200000000, 0.0001249600000000 ] - [ 0.0013472000000000, 0.0025807600000000, -0.0011930900000000 ] - [ 0.0060812500000000, 0.0028626100000000, 0.0090287400000000 ] - [ 0.0001625200000000, -0.0006833800000000, -0.0002403000000000 ] - [ 0.0026291600000000, 0.0019223400000000, 0.0017031000000000 ] - [ -0.0000555900000000, -0.0005000100000000, 0.0000673600000000 ] - [ 0.0002158600000000, -0.0004090400000000, 0.0000588100000000 ] - [ 0.0018566900000000, -0.0007884600000000, 0.0014054000000000 ] - [ 0.0013169500000000, 0.0005730600000000, 0.0014280700000000 ] - [ -0.0002476100000000, -0.0005191200000000, 0.0000014500000000 ] - [ 0.0004376800000000, -0.0002635100000000, 0.0003481100000000 ] - [ 0.0004429100000000, -0.0003808500000000, 0.0002491800000000 ] - [ 0.0013497900000000, -0.0013430200000000, 0.0028000900000000 ] - [ -0.0001447000000000, -0.0002348800000000, 0.0000844100000000 ] - [ 0.0001539500000000, -0.0002013800000000, 0.0000937700000000 ] - [ -0.0004801500000000, 0.0010593700000000, 0.0031803200000000 ]- atom: 59 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0020596100000000, 0.0022394300000000, -0.0096895000000000 ] - [ -0.0000182200000000, -0.0005029900000000, 0.0000017200000000 ] - [ -0.0002594400000000, -0.0007479400000000, -0.0007011200000000 ] - [ 0.0009615500000000, -0.0000639100000000, -0.0007262800000000 ] - [ 0.0026940300000000, 0.0003382100000000, 0.0005145600000000 ] - [ 0.0000560500000000, -0.0005067300000000, -0.0000684600000000 ] - [ 0.0001242900000000, -0.0004410400000000, 0.0000804300000000 ] - [ 0.0008567900000000, -0.0003253400000000, -0.0000361800000000 ] - [ -0.0003832300000000, 0.0020872700000000, -0.0004003600000000 ] - [ -0.0000595000000000, -0.0010485600000000, -0.0000337300000000 ] - [ 0.0001601800000000, -0.0001870800000000, 0.0001668700000000 ] - [ 0.0011802200000000, -0.0007878100000000, -0.0000416600000000 ] - [ -0.0000237400000000, -0.0006052000000000, 0.0000129600000000 ] - [ -0.0007595400000000, 0.0009442000000000, 0.0011932400000000 ] - [ -0.0037292500000000, 0.0002211700000000, -0.0000161500000000 ] - [ -0.0000554900000000, -0.0009786700000000, 0.0000116300000000 ] - [ -0.0003266300000000, -0.0008715700000000, -0.0000653200000000 ] - [ -0.0015660600000000, -0.0003606200000000, 0.0000232700000000 ] - [ -0.0037380600000000, 0.0306094600000000, -0.0525065700000000 ] - [ 0.0000658500000000, -0.0007858500000000, -0.0000592900000000 ] - [ 0.0011245500000000, -0.0015270200000000, -0.0003659200000000 ] - [ 0.0004644400000000, -0.0003428900000000, -0.0029294900000000 ] - [ -0.0000007400000000, -0.0005858600000000, 0.0000379800000000 ] - [ 0.0050810500000000, 0.0011795400000000, 0.0093202600000000 ] - [ 0.0017744700000000, 0.0001587400000000, 0.0014372800000000 ] - [ 0.0002144200000000, -0.0005414800000000, 0.0001306500000000 ] - [ -0.0040501500000000, 0.0005936600000000, 0.0023467400000000 ] - [ -0.0000066000000000, -0.0000907800000000, 0.0000214600000000 ] - [ 0.0001049600000000, -0.0008960900000000, 0.0001010400000000 ] - [ 0.0618873500000000, 0.0788676500000000, -0.0626018000000000 ] - [ -0.0005482700000000, -0.0003604700000000, -0.0001969700000000 ] - [ -0.0002021300000000, -0.0007070100000000, 0.0002941200000000 ] - [ -0.0018480300000000, -0.0073547900000000, 0.0057289700000000 ] - [ -0.0003066900000000, -0.0004368400000000, 0.0001368800000000 ] - [ -0.0000678900000000, -0.0007680600000000, -0.0001037700000000 ] - [ -0.0096878300000000, 0.0027015400000000, -0.0037300900000000 ] - [ -0.0000026200000000, -0.0009550600000000, 0.0001700100000000 ] - [ -0.0073766200000000, 0.0051779600000000, 0.0047338900000000 ] - [ 0.0004182400000000, -0.0003100900000000, -0.0021930400000000 ] - [ 0.0001290600000000, -0.0009128300000000, -0.0002795300000000 ] - [ -0.0022888000000000, 0.0002575800000000, 0.0011575000000000 ] - [ -0.0001188700000000, -0.0008341100000000, -0.0000383700000000 ] - [ -0.0000036800000000, -0.0009630900000000, -0.0000775500000000 ] - [ 0.0013256500000000, 0.0077063200000000, 0.0061486000000000 ] - [ 0.0035667100000000, 0.0020665600000000, 0.0016894600000000 ] - [ 0.0000654000000000, -0.0008421300000000, 0.0000487700000000 ] - [ -0.0001502000000000, 0.0002623300000000, 0.0000502100000000 ] - [ 0.0077184500000000, 0.0139586800000000, -0.0192662500000000 ] - [ 0.0001907000000000, -0.0009204000000000, 0.0013419800000000 ] - [ 0.0001580600000000, 0.0004604800000000, 0.0001035900000000 ] - [ -0.0000713000000000, -0.0002311200000000, 0.0002313000000000 ] - [ -0.0002322700000000, 0.0007342300000000, -0.0000082900000000 ] - [ -0.0030180900000000, -0.0043083500000000, -0.0006326000000000 ] - [ -0.0000775400000000, 0.0005684300000000, -0.0000677400000000 ] - [ -0.0008416000000000, -0.0008381600000000, 0.0006889700000000 ] - [ -0.0002977900000000, 0.0005174100000000, 0.0000339800000000 ] - [ -0.0000202700000000, 0.0003416200000000, 0.0000397900000000 ] - [ -0.0006302200000000, -0.0001702000000000, 0.0000420700000000 ] - [ -0.0782006100000000, -0.1523937100000000, 0.1455156600000000 ] - [ 0.0000427200000000, 0.0004980600000000, -0.0000191100000000 ] - [ -0.0002546600000000, 0.0008774800000000, 0.0005806100000000 ] - [ -0.0028343500000000, 0.0012039100000000, 0.0065817600000000 ] - [ -0.0000573200000000, -0.0001404700000000, -0.0002205800000000 ] - [ 0.0001006200000000, 0.0002281700000000, -0.0001052500000000 ] - [ 0.0027275100000000, -0.0005441800000000, -0.0006281500000000 ] - [ -0.0000308000000000, 0.0002671600000000, -0.0003146100000000 ] - [ 0.0058167700000000, 0.0218320300000000, -0.0111618400000000 ] - [ 0.0000818800000000, 0.0003189600000000, -0.0000767700000000 ] - [ -0.0004955500000000, 0.0034320200000000, 0.0003829000000000 ] - [ -0.0002668600000000, 0.0005665800000000, 0.0006196300000000 ] - [ 0.0013922900000000, 0.0003576800000000, 0.0008056400000000 ] - [ 0.0001114000000000, 0.0004709400000000, 0.0001673300000000 ] - [ 0.0001976500000000, 0.0004514000000000, 0.0000403800000000 ] - [ 0.0001240600000000, 0.0002596100000000, 0.0000309100000000 ] - [ 0.0067279900000000, -0.0014349100000000, -0.0031006400000000 ] - [ 0.0001414500000000, 0.0006146600000000, 0.0001325500000000 ] - [ 0.0000708100000000, 0.0006483000000000, -0.0001789100000000 ] - [ 0.0015240800000000, -0.0018762500000000, 0.0001969500000000 ] - [ -0.0001720900000000, 0.0000460300000000, 0.0002815000000000 ] - [ -0.0001617200000000, 0.0003083400000000, -0.0000402200000000 ] - [ 0.0030043000000000, -0.0050181100000000, -0.0063215900000000 ] - [ 0.0000308100000000, 0.0003540000000000, -0.0001291900000000 ] - [ 0.0163231300000000, 0.0090600300000000, 0.0078843100000000 ] - [ -0.0000786900000000, 0.0002875400000000, 0.0001062900000000 ] - [ 0.0035637300000000, 0.0010907400000000, -0.0017027200000000 ] - [ 0.0004125500000000, 0.0002250600000000, -0.0000173700000000 ] - [ 0.0020989700000000, -0.0024327500000000, 0.0016576100000000 ] - [ -0.0001102300000000, 0.0005709000000000, -0.0001241500000000 ] - [ 0.0001278300000000, 0.0004702800000000, 0.0001757300000000 ] - [ 0.0023557800000000, 0.0011428800000000, 0.0014220100000000 ] - [ 0.0008278100000000, -0.0006515700000000, -0.0003592700000000 ] - [ -0.0000637000000000, 0.0005333500000000, -0.0002134300000000 ] - [ 0.0005064700000000, 0.0003968700000000, -0.0000201500000000 ] - [ 0.0003436900000000, 0.0006502900000000, 0.0000981200000000 ] - [ -0.0029276000000000, 0.0007935200000000, 0.0017287500000000 ] - [ -0.0001095900000000, 0.0004440800000000, 0.0001867000000000 ] - [ -0.0002615600000000, 0.0003913500000000, 0.0003168000000000 ] - [ -0.0000638300000000, 0.0005754700000000, 0.0003528300000000 ] - [ 0.0022990600000000, -0.0009772600000000, -0.0056256600000000 ] - [ 0.0000787200000000, 0.0002950500000000, 0.0002552800000000 ] - [ 0.0003782300000000, -0.0005508300000000, -0.0009706900000000 ] - [ -0.0000828900000000, 0.0003869000000000, -0.0000660700000000 ] - [ -0.0000759700000000, 0.0007925100000000, -0.0003585100000000 ] - [ -0.0013050000000000, -0.0023869400000000, 0.0009707100000000 ] - [ -0.0060740000000000, -0.0030273200000000, -0.0092491600000000 ] - [ -0.0000868300000000, 0.0005087300000000, 0.0000527700000000 ] - [ -0.0024029800000000, -0.0018956500000000, -0.0016828900000000 ] - [ 0.0002671100000000, 0.0005114400000000, -0.0000484200000000 ] - [ -0.0000645600000000, 0.0003722800000000, -0.0000595900000000 ] - [ -0.0016907500000000, 0.0007423900000000, -0.0013990600000000 ] - [ -0.0015794700000000, -0.0006383000000000, -0.0013892500000000 ] - [ -0.0000145000000000, 0.0004471400000000, 0.0000411200000000 ] - [ -0.0004663000000000, 0.0003501900000000, -0.0001908200000000 ] - [ -0.0004685700000000, 0.0004629200000000, -0.0000917900000000 ] - [ -0.0016370400000000, 0.0013339500000000, -0.0027061400000000 ] - [ -0.0001349700000000, 0.0002218600000000, 0.0000179600000000 ] - [ 0.0001317600000000, 0.0002755400000000, -0.0000722200000000 ] - [ 0.0007490700000000, -0.0009826300000000, -0.0031627700000000 ]- atom: 61 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0001144300000000, 0.0006335600000000, 0.0000021400000000 ] - [ 0.0002604300000000, -0.0012384300000000, -0.0000883700000000 ] - [ 0.0060118400000000, 0.0009743900000000, -0.0000076400000000 ] - [ -0.0000132000000000, 0.0002522300000000, 0.0000177200000000 ] - [ -0.0001471500000000, 0.0000548500000000, -0.0004232200000000 ] - [ 0.0001415400000000, 0.0009164100000000, -0.0011004400000000 ] - [ -0.0015889300000000, -0.0009344700000000, -0.0025899000000000 ] - [ 0.0000072800000000, 0.0002825700000000, -0.0000632800000000 ] - [ 0.0030639900000000, 0.0021650400000000, 0.0002670400000000 ] - [ 0.0000601400000000, 0.0003334800000000, -0.0000280800000000 ] - [ 0.0000008000000000, 0.0002301000000000, -0.0053065600000000 ] - [ 0.0000061600000000, 0.0005524800000000, -0.0000084900000000 ] - [ -0.0047660900000000, -0.0035910800000000, 0.0001234300000000 ] - [ -0.0001671700000000, 0.0004461300000000, 0.0000056100000000 ] - [ -0.0003637500000000, 0.0003346700000000, 0.0000027000000000 ] - [ -0.0025131600000000, 0.0005317400000000, -0.0000693400000000 ] - [ -0.0054898500000000, -0.0001938500000000, 0.0001596200000000 ] - [ -0.0000681100000000, 0.0003072600000000, 0.0000014900000000 ] - [ 0.0011545400000000, 0.0004238300000000, -0.0001970200000000 ] - [ 0.0020376600000000, 0.0014484300000000, -0.0000479200000000 ] - [ 0.0321233300000000, 0.0158467500000000, 0.0247417100000000 ] - [ 0.0001040300000000, 0.0003666300000000, -0.0000242000000000 ] - [ 0.0024033600000000, -0.0014472000000000, 0.0026934700000000 ] - [ 0.0001219000000000, 0.0004304700000000, 0.0000083100000000 ] - [ 0.0005253300000000, 0.0000541700000000, -0.0001940900000000 ] - [ 0.0001462000000000, 0.0003218600000000, 0.0000151600000000 ] - [ 0.0000041200000000, 0.0000124500000000, 0.0000175800000000 ] - [ -0.0007129600000000, -0.0000246400000000, 0.0016452600000000 ] - [ 0.0820981100000000, -0.0729808600000000, -0.0281073200000000 ] - [ 0.0001144400000000, 0.0004624700000000, 0.0002571700000000 ] - [ -0.0022181400000000, 0.0012185700000000, 0.0004261000000000 ] - [ -0.0003189700000000, 0.0004021100000000, 0.0004342800000000 ] - [ -0.0006267600000000, 0.0037720700000000, 0.0023377600000000 ] - [ -0.0001847100000000, 0.0003253400000000, 0.0002102800000000 ] - [ -0.0175819100000000, -0.0027674200000000, -0.0041569200000000 ] - [ -0.0001424300000000, 0.0003851600000000, -0.0000339700000000 ] - [ -0.0023592800000000, -0.0053937500000000, 0.0050244600000000 ] - [ 0.0000853900000000, 0.0005707100000000, 0.0001249300000000 ] - [ -0.0003463900000000, -0.0047806200000000, 0.0028675900000000 ] - [ 0.0002847500000000, 0.0010992600000000, 0.0000789500000000 ] - [ -0.0012424000000000, -0.0001031200000000, -0.0005698200000000 ] - [ -0.0002161800000000, 0.0005530000000000, -0.0003707700000000 ] - [ 0.0056092500000000, 0.0020346300000000, -0.0005097300000000 ] - [ 0.0000537200000000, 0.0004441700000000, -0.0002319000000000 ] - [ -0.0002583500000000, 0.0007956000000000, -0.0003648400000000 ] - [ 0.0009039700000000, -0.0003634900000000, -0.0009327800000000 ] - [ -0.0046914600000000, -0.0040023600000000, -0.0076325800000000 ] - [ -0.0001573300000000, -0.0001019200000000, -0.0000528300000000 ] - [ -0.0013775200000000, 0.0008191300000000, -0.0012411300000000 ] - [ -0.0000444000000000, -0.0002588300000000, -0.0001337700000000 ] - [ -0.0003681500000000, -0.0061620700000000, 0.0057154900000000 ] - [ -0.0000903200000000, -0.0002134000000000, -0.0000827600000000 ] - [ 0.0001190500000000, -0.0010934100000000, 0.0000906400000000 ] - [ -0.0001609100000000, -0.0000370000000000, 0.0000157200000000 ] - [ 0.0001074600000000, -0.0003972800000000, 0.0000008300000000 ] - [ 0.0001132100000000, 0.0012202000000000, 0.0004961300000000 ] - [ 0.0056803800000000, 0.0013145200000000, 0.0051443000000000 ] - [ -0.0001485000000000, -0.0003236200000000, 0.0000024600000000 ] - [ -0.0003167700000000, -0.0004510900000000, 0.0002000900000000 ] - [ -0.0082927300000000, 0.0038343400000000, -0.0013732600000000 ] - [ -0.1432014300000000, 0.0903548600000000, 0.0066525500000000 ] - [ -0.0000002800000000, -0.0002135800000000, 0.0000371100000000 ] - [ 0.0005033600000000, -0.0003123700000000, -0.0001603000000000 ] - [ 0.0001329200000000, -0.0001754400000000, -0.0001534600000000 ] - [ 0.0000325300000000, -0.0001306300000000, -0.0003520500000000 ] - [ 0.0054309200000000, 0.0008296900000000, -0.0028892100000000 ] - [ -0.0004509200000000, -0.0018524600000000, 0.0002176600000000 ] - [ -0.0001785100000000, -0.0001950300000000, -0.0000165500000000 ] - [ -0.0002622500000000, -0.0113786600000000, -0.0080798700000000 ] - [ 0.0000238700000000, -0.0001775800000000, -0.0000760800000000 ] - [ 0.0004220100000000, -0.0004715700000000, -0.0000670500000000 ] - [ 0.0004236000000000, -0.0000789200000000, -0.0000091600000000 ] - [ 0.0023473200000000, -0.0011000700000000, -0.0000381700000000 ] - [ 0.0000853800000000, -0.0001927400000000, -0.0000019700000000 ] - [ 0.0000860500000000, -0.0003943400000000, -0.0001391100000000 ] - [ 0.0014886600000000, 0.0018114900000000, -0.0002422500000000 ] - [ 0.0068546100000000, 0.0009425800000000, -0.0046375600000000 ] - [ 0.0000243800000000, -0.0003717600000000, 0.0000390500000000 ] - [ 0.0015988500000000, 0.0004343500000000, -0.0007856500000000 ] - [ -0.0001023100000000, -0.0003084300000000, -0.0001270100000000 ] - [ -0.0000272300000000, -0.0002030700000000, -0.0001165100000000 ] - [ -0.0019103800000000, 0.0019763100000000, -0.0040319000000000 ] - [ -0.0000632000000000, -0.0001400000000000, 0.0000690400000000 ] - [ 0.0318378000000000, -0.0211790500000000, 0.0019197000000000 ] - [ 0.0016487500000000, -0.0005865600000000, -0.0005810600000000 ] - [ 0.0004445200000000, -0.0001198100000000, 0.0000073200000000 ] - [ 0.0001207200000000, -0.0002033600000000, 0.0001009100000000 ] - [ 0.0039044600000000, -0.0023228700000000, 0.0024562900000000 ] - [ 0.0044807700000000, 0.0025709700000000, 0.0018885100000000 ] - [ 0.0000151900000000, -0.0003316400000000, -0.0000360700000000 ] - [ 0.0004460800000000, -0.0002877900000000, 0.0001780400000000 ] - [ 0.0004469500000000, -0.0006997900000000, 0.0003125700000000 ] - [ 0.0013450400000000, 0.0005426100000000, 0.0003391700000000 ] - [ 0.0000132300000000, -0.0002534800000000, 0.0000000600000000 ] - [ -0.0004166900000000, 0.0011706700000000, 0.0000532200000000 ] - [ -0.0003501700000000, -0.0009558800000000, -0.0001240300000000 ] - [ 0.0018961400000000, 0.0070556100000000, 0.0023839100000000 ] - [ -0.0001016600000000, -0.0004018300000000, 0.0001183500000000 ] - [ 0.0000221600000000, -0.0001548800000000, 0.0002934700000000 ] - [ 0.0009659800000000, 0.0009877200000000, -0.0023754100000000 ] - [ -0.0004919600000000, -0.0002993000000000, 0.0005098700000000 ] - [ -0.0000773900000000, -0.0002465500000000, 0.0001458600000000 ] - [ -0.0021251400000000, -0.0005335100000000, 0.0060810200000000 ] - [ -0.0000571400000000, -0.0002117000000000, -0.0000212300000000 ] - [ -0.0000753800000000, -0.0002675300000000, -0.0000431700000000 ] - [ -0.0013484000000000, -0.0004821600000000, 0.0006434000000000 ] - [ 0.0000019100000000, -0.0003618200000000, 0.0001533300000000 ] - [ -0.0005454200000000, -0.0000570200000000, 0.0000700800000000 ] - [ -0.0007848400000000, 0.0011354400000000, 0.0012853300000000 ] - [ 0.0001522700000000, -0.0003207900000000, 0.0000069700000000 ] - [ -0.0002285100000000, -0.0002932300000000, 0.0001868600000000 ] - [ -0.0002328100000000, -0.0001375300000000, 0.0003571600000000 ] - [ 0.0003422400000000, 0.0002638100000000, 0.0020573900000000 ] - [ 0.0000481800000000, -0.0002136900000000, 0.0001010100000000 ] - [ -0.0011428800000000, -0.0006918200000000, -0.0011752000000000 ] - [ -0.0001925200000000, -0.0001523000000000, 0.0000203000000000 ] - [ 0.0003970300000000, 0.0001720800000000, 0.0003557600000000 ] - [ 0.0001295200000000, -0.0000965700000000, 0.0000532200000000 ]- atom: 61 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0000924700000000, -0.0005815600000000, 0.0001100800000000 ] - [ -0.0002570900000000, 0.0012900200000000, 0.0002051500000000 ] - [ -0.0049962600000000, -0.0016561800000000, 0.0001586100000000 ] - [ -0.0000116300000000, -0.0003097200000000, 0.0000172500000000 ] - [ 0.0001772100000000, -0.0000070200000000, 0.0002983600000000 ] - [ -0.0001148800000000, -0.0008721700000000, 0.0009782000000000 ] - [ 0.0015915500000000, 0.0008777800000000, 0.0025795400000000 ] - [ 0.0000088700000000, -0.0003363400000000, 0.0000454600000000 ] - [ -0.0034283100000000, -0.0021292800000000, -0.0003378600000000 ] - [ -0.0004253800000000, -0.0002900800000000, -0.0000437800000000 ] - [ 0.0000082700000000, 0.0001182200000000, 0.0052865100000000 ] - [ -0.0000062900000000, -0.0002222200000000, 0.0000090600000000 ] - [ 0.0045807600000000, 0.0035853500000000, -0.0001535700000000 ] - [ -0.0000102200000000, -0.0004305100000000, -0.0000201300000000 ] - [ 0.0003637400000000, -0.0005998100000000, -0.0000015100000000 ] - [ 0.0025179600000000, -0.0008127900000000, 0.0000708900000000 ] - [ 0.0054764200000000, -0.0001010800000000, -0.0001549600000000 ] - [ 0.0000677400000000, -0.0006189800000000, -0.0000016400000000 ] - [ -0.0011570400000000, -0.0002247600000000, 0.0001965500000000 ] - [ -0.0020652800000000, -0.0012292600000000, 0.0000053300000000 ] - [ -0.0317812000000000, -0.0163557000000000, -0.0250155100000000 ] - [ -0.0001053900000000, -0.0005965300000000, 0.0000238800000000 ] - [ -0.0022124600000000, 0.0014551600000000, -0.0026614900000000 ] - [ 0.0000553600000000, -0.0004156200000000, 0.0000064000000000 ] - [ -0.0001616000000000, -0.0000147700000000, 0.0002650700000000 ] - [ 0.0002177500000000, -0.0002832700000000, 0.0000584600000000 ] - [ -0.0000052300000000, -0.0000615700000000, -0.0000166900000000 ] - [ 0.0007024500000000, -0.0000292400000000, -0.0016480000000000 ] - [ -0.0820959400000000, 0.0752468200000000, 0.0296407600000000 ] - [ -0.0000637400000000, -0.0004494900000000, 0.0001592300000000 ] - [ 0.0022565600000000, -0.0012143000000000, 0.0002821500000000 ] - [ 0.0003606800000000, -0.0004141000000000, 0.0002779100000000 ] - [ 0.0001747300000000, -0.0035406900000000, -0.0021974700000000 ] - [ -0.0002699900000000, -0.0000610300000000, -0.0000583500000000 ] - [ 0.0174378100000000, 0.0028147500000000, 0.0039848900000000 ] - [ -0.0000470600000000, -0.0003441200000000, -0.0001554800000000 ] - [ 0.0025694000000000, 0.0053942100000000, -0.0047937500000000 ] - [ 0.0001041400000000, -0.0005303300000000, 0.0000647000000000 ] - [ 0.0007938500000000, 0.0050383600000000, -0.0030276000000000 ] - [ 0.0001656200000000, -0.0008403300000000, -0.0002377100000000 ] - [ 0.0012043400000000, 0.0001008800000000, -0.0001411000000000 ] - [ 0.0001757900000000, -0.0005642500000000, -0.0003408000000000 ] - [ -0.0056468500000000, -0.0020014800000000, 0.0000577200000000 ] - [ -0.0001058600000000, -0.0004308500000000, -0.0001855100000000 ] - [ 0.0002586700000000, -0.0007311200000000, 0.0003648200000000 ] - [ -0.0008951500000000, 0.0004149200000000, 0.0009333400000000 ] - [ 0.0044480900000000, 0.0040793700000000, 0.0076009400000000 ] - [ -0.0001116600000000, 0.0001744300000000, 0.0000110200000000 ] - [ 0.0016585100000000, -0.0008284200000000, 0.0011494900000000 ] - [ 0.0003248300000000, 0.0002437500000000, 0.0000444100000000 ] - [ 0.0003675000000000, 0.0062221200000000, -0.0058556500000000 ] - [ 0.0001158700000000, 0.0002952700000000, -0.0000733900000000 ] - [ 0.0001401400000000, 0.0010273600000000, -0.0001338000000000 ] - [ 0.0004138600000000, -0.0000307400000000, -0.0000646300000000 ] - [ -0.0003201600000000, 0.0004113200000000, -0.0000174300000000 ] - [ -0.0003331100000000, -0.0011918200000000, -0.0005089900000000 ] - [ -0.0057892200000000, -0.0013587600000000, -0.0050899300000000 ] - [ -0.0000037900000000, 0.0002791600000000, -0.0000008000000000 ] - [ 0.0002403100000000, 0.0002801800000000, -0.0000079200000000 ] - [ 0.0082244600000000, -0.0041366100000000, 0.0015497200000000 ] - [ 0.1421719500000000, -0.0917344300000000, -0.0072886800000000 ] - [ -0.0000450200000000, 0.0004075900000000, 0.0001990800000000 ] - [ -0.0003973200000000, 0.0002144700000000, -0.0000602100000000 ] - [ -0.0000260000000000, 0.0000807800000000, -0.0000699500000000 ] - [ -0.0000646400000000, 0.0001614800000000, -0.0002708800000000 ] - [ -0.0054725600000000, -0.0007981300000000, 0.0022724200000000 ] - [ 0.0004946600000000, 0.0014812800000000, -0.0001545700000000 ] - [ 0.0002137200000000, -0.0001924200000000, 0.0000901800000000 ] - [ 0.0002692700000000, 0.0114912000000000, 0.0080571300000000 ] - [ 0.0000136900000000, 0.0003011800000000, 0.0000663700000000 ] - [ -0.0004471900000000, 0.0003945800000000, 0.0001044700000000 ] - [ -0.0004501600000000, 0.0000108300000000, 0.0000494500000000 ] - [ -0.0023934800000000, 0.0012768800000000, -0.0001034900000000 ] - [ -0.0001393000000000, 0.0003843600000000, -0.0001418400000000 ] - [ -0.0000062300000000, 0.0004188400000000, 0.0000919100000000 ] - [ -0.0014145300000000, -0.0017743700000000, 0.0001920000000000 ] - [ -0.0068683300000000, -0.0010023600000000, 0.0044935300000000 ] - [ -0.0001029600000000, 0.0003092500000000, -0.0001260700000000 ] - [ -0.0022084600000000, -0.0004655300000000, 0.0006536500000000 ] - [ -0.0005095400000000, 0.0002808200000000, -0.0000043200000000 ] - [ 0.0000685900000000, 0.0001726600000000, -0.0000788800000000 ] - [ 0.0019229500000000, -0.0020023300000000, 0.0038311200000000 ] - [ 0.0000207500000000, 0.0001098000000000, 0.0001267400000000 ] - [ -0.0323148800000000, 0.0215754100000000, -0.0017547700000000 ] - [ -0.0010415700000000, 0.0005595000000000, 0.0007144400000000 ] - [ 0.0001647400000000, 0.0000914000000000, 0.0001247000000000 ] - [ -0.0002023300000000, 0.0002275800000000, -0.0000534300000000 ] - [ -0.0040047600000000, 0.0023661200000000, -0.0024292700000000 ] - [ -0.0043990000000000, -0.0026375400000000, -0.0018092300000000 ] - [ 0.0000642200000000, 0.0002687900000000, 0.0001213900000000 ] - [ -0.0004216800000000, 0.0002133800000000, -0.0002184200000000 ] - [ -0.0004224200000000, 0.0006334600000000, -0.0003568000000000 ] - [ -0.0012915300000000, -0.0003594400000000, -0.0001998200000000 ] - [ 0.0000374800000000, 0.0004451500000000, 0.0001446200000000 ] - [ 0.0003739700000000, -0.0015471600000000, -0.0001150000000000 ] - [ 0.0003135100000000, 0.0005807000000000, 0.0000645800000000 ] - [ -0.0019319200000000, -0.0069594800000000, -0.0023967900000000 ] - [ 0.0000656700000000, 0.0005271500000000, -0.0001081500000000 ] - [ 0.0000091700000000, 0.0001850700000000, 0.0003300400000000 ] - [ -0.0009397900000000, -0.0009508200000000, 0.0029882600000000 ] - [ 0.0003835600000000, 0.0002025700000000, -0.0002855900000000 ] - [ -0.0000297500000000, 0.0001509100000000, 0.0000766200000000 ] - [ 0.0022048000000000, 0.0007296000000000, -0.0063013100000000 ] - [ 0.0001027600000000, 0.0004059900000000, -0.0002159600000000 ] - [ 0.0001519900000000, 0.0000953700000000, -0.0001477600000000 ] - [ 0.0014300900000000, 0.0003084400000000, -0.0008282700000000 ] - [ 0.0002086100000000, 0.0003758300000000, -0.0001365700000000 ] - [ 0.0007548200000000, 0.0000748400000000, -0.0000565700000000 ] - [ 0.0009338300000000, -0.0011766200000000, -0.0012843300000000 ] - [ -0.0000000400000000, 0.0002765100000000, -0.0000088400000000 ] - [ -0.0000319500000000, 0.0002265900000000, -0.0001450200000000 ] - [ -0.0000280300000000, 0.0000726200000000, -0.0003147900000000 ] - [ -0.0003676500000000, -0.0001797200000000, -0.0018970200000000 ] - [ -0.0000751700000000, 0.0002972000000000, 0.0000545000000000 ] - [ 0.0008656700000000, 0.0006814000000000, 0.0012685400000000 ] - [ -0.0000845200000000, 0.0001386500000000, 0.0000720200000000 ] - [ -0.0001219800000000, -0.0000971300000000, -0.0003035200000000 ] - [ 0.0001393100000000, 0.0001687100000000, -0.0000120700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005788700000000, -0.0018948100000000, 0.0003966000000000 ] - [ -0.0059192500000000, -0.0028642900000000, -0.0002555200000000 ] - [ 0.0037429400000000, 0.0114066900000000, 0.0029393900000000 ] - [ -0.0001202500000000, -0.0018159000000000, -0.0000134000000000 ] - [ -0.0003110100000000, -0.0015331900000000, -0.0003769500000000 ] - [ 0.0004648500000000, -0.0001875400000000, 0.0005193300000000 ] - [ -0.0020633200000000, 0.0041554400000000, -0.0014019800000000 ] - [ 0.0000578000000000, -0.0017389200000000, 0.0000843600000000 ] - [ -0.0007567200000000, -0.0037191700000000, 0.0027895300000000 ] - [ -0.0003515700000000, -0.0029276800000000, -0.0008459600000000 ] - [ 0.0017563300000000, 0.0076754900000000, 0.0028084000000000 ] - [ -0.0001009900000000, -0.0021473900000000, -0.0001117300000000 ] - [ 0.0008526200000000, 0.0034838500000000, -0.0008806100000000 ] - [ -0.0000893200000000, -0.0021076900000000, -0.0000559200000000 ] - [ 0.0001389300000000, -0.0023087700000000, 0.0000358600000000 ] - [ 0.0001962400000000, -0.0008790600000000, 0.0000392900000000 ] - [ 0.0014694800000000, 0.0047663900000000, -0.0002567800000000 ] - [ 0.0000106600000000, -0.0027254400000000, 0.0000038400000000 ] - [ -0.0004662300000000, -0.0034994900000000, -0.0001721500000000 ] - [ 0.0032794300000000, -0.0059878300000000, 0.0109867600000000 ] - [ 0.0142989600000000, 0.0532972400000000, 0.0414315200000000 ] - [ 0.0000106500000000, -0.0031021600000000, 0.0000753700000000 ] - [ -0.0039721400000000, 0.0036039800000000, -0.0053936600000000 ] - [ 0.0001158600000000, -0.0021274600000000, 0.0000680700000000 ] - [ -0.0010071200000000, 0.0001010900000000, -0.0012678600000000 ] - [ 0.0003779300000000, -0.0016996800000000, 0.0002628000000000 ] - [ -0.0000091500000000, -0.0002420600000000, -0.0000024700000000 ] - [ 0.0023576300000000, 0.0004251100000000, -0.0012752300000000 ] - [ -0.0759159600000000, 0.1731163100000000, 0.0606809500000000 ] - [ -0.0000689600000000, -0.0030241600000000, 0.0002826200000000 ] - [ -0.0009450000000000, 0.0001053700000000, 0.0005432500000000 ] - [ 0.0004239600000000, -0.0021067700000000, 0.0002860800000000 ] - [ 0.0017431100000000, -0.0092411500000000, -0.0053041400000000 ] - [ -0.0006374600000000, -0.0037405400000000, 0.0012930800000000 ] - [ 0.0101692000000000, 0.0056484400000000, 0.0042229500000000 ] - [ -0.0001987100000000, -0.0026152700000000, -0.0001286500000000 ] - [ -0.0009256300000000, 0.0062256200000000, -0.0013721600000000 ] - [ 0.0001990700000000, -0.0026997600000000, 0.0000923500000000 ] - [ -0.0034717700000000, -0.0054252500000000, 0.0014548800000000 ] - [ 0.0013000900000000, -0.0034589300000000, -0.0000221800000000 ] - [ 0.0026082700000000, 0.0008336300000000, 0.0001886600000000 ] - [ -0.0004891400000000, -0.0019565600000000, -0.0006784800000000 ] - [ 0.0023093900000000, 0.0080786000000000, 0.0004864500000000 ] - [ -0.0000180900000000, -0.0028655900000000, -0.0002933200000000 ] - [ 0.0004342000000000, -0.0026412900000000, 0.0005111100000000 ] - [ -0.0013545000000000, -0.0000340300000000, -0.0016541900000000 ] - [ -0.0059405900000000, 0.0013425300000000, 0.0123551200000000 ] - [ -0.0001319200000000, 0.0008406800000000, -0.0000769800000000 ] - [ 0.0011531000000000, 0.0023807800000000, -0.0008309800000000 ] - [ -0.0002001300000000, 0.0017303600000000, 0.0000677200000000 ] - [ -0.0055825000000000, 0.0045575000000000, -0.0100096000000000 ] - [ 0.0005643600000000, 0.0018644400000000, 0.0000592300000000 ] - [ -0.0006546500000000, 0.0020984500000000, -0.0006004100000000 ] - [ 0.0010474900000000, 0.0016589600000000, 0.0017541800000000 ] - [ -0.0007992900000000, 0.0016499800000000, 0.0000623700000000 ] - [ 0.0011501900000000, -0.0010398600000000, 0.0008809100000000 ] - [ -0.0013759200000000, -0.0050069000000000, 0.0000147200000000 ] - [ 0.0004164800000000, 0.0016181900000000, -0.0000171800000000 ] - [ 0.0003345100000000, 0.0021194900000000, -0.0005876900000000 ] - [ -0.0035640700000000, 0.0330591000000000, -0.0031136200000000 ] - [ 0.0943042800000000, -0.2932711200000000, -0.1313066700000000 ] - [ -0.0003361300000000, 0.0020760300000000, 0.0006259900000000 ] - [ 0.0001275700000000, -0.0001619900000000, 0.0000258000000000 ] - [ 0.0000152200000000, 0.0007007100000000, -0.0000917700000000 ] - [ 0.0000066800000000, 0.0008635400000000, -0.0003117400000000 ] - [ -0.0031680100000000, -0.0013717700000000, 0.0004071100000000 ] - [ 0.0002621600000000, 0.0037057300000000, -0.0003210500000000 ] - [ 0.0017714200000000, 0.0041187800000000, -0.0029580800000000 ] - [ -0.0091974500000000, 0.0210772500000000, 0.0172125900000000 ] - [ -0.0002195800000000, 0.0022969100000000, 0.0003879800000000 ] - [ 0.0000288300000000, 0.0008456700000000, 0.0001654500000000 ] - [ 0.0004458200000000, 0.0008880600000000, 0.0002174200000000 ] - [ -0.0012763500000000, -0.0014431700000000, 0.0002119100000000 ] - [ -0.0003176700000000, 0.0016995600000000, -0.0004706800000000 ] - [ 0.0000447300000000, 0.0017640300000000, 0.0004158100000000 ] - [ 0.0008942900000000, -0.0013662100000000, -0.0008636500000000 ] - [ -0.0013027600000000, -0.0052596300000000, 0.0019386000000000 ] - [ -0.0002853600000000, 0.0018088800000000, -0.0005188000000000 ] - [ 0.0018713700000000, 0.0004645900000000, -0.0007337100000000 ] - [ -0.0009445300000000, 0.0008835300000000, 0.0000579900000000 ] - [ -0.0000293100000000, 0.0010138600000000, -0.0000751100000000 ] - [ 0.0003055700000000, -0.0025780700000000, -0.0019396600000000 ] - [ 0.0000822300000000, 0.0010078200000000, 0.0001039900000000 ] - [ -0.0230599400000000, 0.0025944100000000, -0.0025103700000000 ] - [ -0.0035602500000000, 0.0013275600000000, 0.0017307900000000 ] - [ 0.0009899600000000, 0.0009574400000000, -0.0002283900000000 ] - [ -0.0001358000000000, 0.0016901100000000, -0.0004025500000000 ] - [ -0.0018438500000000, 0.0000467600000000, -0.0010585700000000 ] - [ -0.0016589700000000, -0.0050511900000000, -0.0020733600000000 ] - [ 0.0002861400000000, 0.0017860400000000, 0.0005121800000000 ] - [ -0.0005296300000000, 0.0008532000000000, -0.0003626000000000 ] - [ -0.0002444200000000, 0.0008892400000000, -0.0002832000000000 ] - [ -0.0002963300000000, -0.0020774700000000, -0.0003399800000000 ] - [ 0.0003578900000000, 0.0017075900000000, 0.0005318300000000 ] - [ 0.0001888600000000, 0.0023606200000000, 0.0006729000000000 ] - [ -0.0015397500000000, 0.0022332100000000, -0.0008127700000000 ] - [ 0.0073147600000000, 0.0048281500000000, 0.0040934600000000 ] - [ 0.0001484100000000, 0.0021956300000000, -0.0006314600000000 ] - [ -0.0000190100000000, 0.0008768400000000, 0.0003251500000000 ] - [ 0.0001769900000000, -0.0015242900000000, 0.0031557900000000 ] - [ -0.0000165000000000, 0.0001138800000000, -0.0010616100000000 ] - [ -0.0000495900000000, 0.0008438400000000, 0.0005217500000000 ] - [ 0.0006680400000000, -0.0080032200000000, 0.0039449400000000 ] - [ 0.0003347400000000, 0.0019995300000000, -0.0006396800000000 ] - [ -0.0001697700000000, 0.0019291900000000, 0.0005845700000000 ] - [ -0.0003580100000000, -0.0026024400000000, -0.0031876100000000 ] - [ 0.0005952800000000, 0.0015913400000000, -0.0002349200000000 ] - [ 0.0007615400000000, -0.0005592300000000, 0.0010005400000000 ] - [ 0.0020740600000000, -0.0040240000000000, 0.0002411500000000 ] - [ -0.0003693300000000, 0.0015966900000000, 0.0000481800000000 ] - [ 0.0003135300000000, 0.0009853400000000, 0.0002320500000000 ] - [ 0.0003080000000000, 0.0007316200000000, 0.0002670600000000 ] - [ 0.0001384800000000, -0.0020804900000000, -0.0000401200000000 ] - [ -0.0004044900000000, 0.0015462500000000, 0.0000241900000000 ] - [ 0.0014105000000000, 0.0016881300000000, 0.0031128300000000 ] - [ -0.0004112200000000, 0.0010633600000000, -0.0006162800000000 ] - [ -0.0007505100000000, -0.0015557500000000, 0.0005624100000000 ] - [ 0.0001459600000000, 0.0007999800000000, 0.0000640200000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006067500000000, 0.0019393000000000, -0.0002843600000000 ] - [ 0.0058408500000000, 0.0029015200000000, 0.0003702700000000 ] - [ -0.0034137400000000, -0.0116138200000000, -0.0029016200000000 ] - [ 0.0000934300000000, 0.0017672600000000, 0.0000460100000000 ] - [ 0.0003452900000000, 0.0015724200000000, 0.0002496800000000 ] - [ -0.0004285400000000, 0.0002399700000000, -0.0006453900000000 ] - [ 0.0020576000000000, -0.0042131500000000, 0.0013843300000000 ] - [ -0.0000407300000000, 0.0016935300000000, -0.0001030200000000 ] - [ 0.0003832500000000, 0.0037380200000000, -0.0028808200000000 ] - [ -0.0000089200000000, 0.0029480800000000, 0.0007537000000000 ] - [ -0.0017562100000000, -0.0073432000000000, -0.0027889300000000 ] - [ 0.0000995800000000, 0.0024870300000000, 0.0001110400000000 ] - [ -0.0010271900000000, -0.0034328700000000, 0.0008550000000000 ] - [ -0.0000830000000000, 0.0021218600000000, 0.0000367300000000 ] - [ -0.0001396200000000, 0.0020119000000000, -0.0000365800000000 ] - [ -0.0001985800000000, 0.0006009000000000, -0.0000374800000000 ] - [ -0.0014601800000000, -0.0050740200000000, 0.0002560800000000 ] - [ -0.0000110500000000, 0.0024285700000000, -0.0000040700000000 ] - [ 0.0004690100000000, 0.0036731800000000, 0.0001723400000000 ] - [ -0.0032464200000000, 0.0061459600000000, -0.0108941300000000 ] - [ -0.0151883700000000, -0.0545551700000000, -0.0436999100000000 ] - [ -0.0000107400000000, 0.0028815800000000, -0.0000746600000000 ] - [ 0.0041437300000000, -0.0035692700000000, 0.0053963600000000 ] - [ 0.0000568900000000, 0.0021409500000000, -0.0000486400000000 ] - [ 0.0013738000000000, -0.0000827000000000, 0.0013550700000000 ] - [ -0.0000164500000000, 0.0017313300000000, -0.0001764200000000 ] - [ 0.0000082600000000, 0.0001907500000000, 0.0000037700000000 ] - [ -0.0023434100000000, -0.0004787300000000, 0.0012725700000000 ] - [ 0.0705824400000000, -0.1653734800000000, -0.0559542500000000 ] - [ 0.0001149000000000, 0.0030362200000000, 0.0001186100000000 ] - [ 0.0009819700000000, -0.0001327400000000, 0.0001445500000000 ] - [ -0.0003868900000000, 0.0020907200000000, 0.0004026500000000 ] - [ -0.0021994100000000, 0.0094881500000000, 0.0054812900000000 ] - [ 0.0001747400000000, 0.0039756300000000, -0.0011027800000000 ] - [ -0.0103658200000000, -0.0055935800000000, -0.0044159000000000 ] - [ 0.0000162000000000, 0.0026546100000000, -0.0000625600000000 ] - [ 0.0011414800000000, -0.0061409800000000, 0.0015576100000000 ] - [ -0.0000158500000000, 0.0027391300000000, 0.0000995000000000 ] - [ 0.0039417700000000, 0.0056667800000000, -0.0016218300000000 ] - [ -0.0008311400000000, 0.0036978700000000, -0.0001560200000000 ] - [ -0.0026510200000000, -0.0008598000000000, -0.0008758200000000 ] - [ 0.0004498000000000, 0.0019430900000000, -0.0000141400000000 ] - [ -0.0023453500000000, -0.0079658100000000, -0.0009177000000000 ] - [ -0.0000275800000000, 0.0028779800000000, -0.0001084400000000 ] - [ -0.0004342100000000, 0.0026747600000000, -0.0005105300000000 ] - [ 0.0013433200000000, 0.0000882100000000, 0.0016372300000000 ] - [ 0.0055603900000000, -0.0012968100000000, -0.0122661800000000 ] - [ -0.0001527100000000, -0.0007656600000000, 0.0000650600000000 ] - [ -0.0008787300000000, -0.0023950500000000, 0.0007710800000000 ] - [ 0.0004751200000000, -0.0017290700000000, -0.0001292500000000 ] - [ 0.0056554600000000, -0.0045017800000000, 0.0099200200000000 ] - [ -0.0005404000000000, -0.0017872800000000, -0.0002189000000000 ] - [ 0.0009092100000000, -0.0021467100000000, 0.0005579700000000 ] - [ -0.0007818500000000, -0.0017088400000000, -0.0017772700000000 ] - [ 0.0005877800000000, -0.0016314700000000, -0.0000822300000000 ] - [ -0.0013454600000000, 0.0010403600000000, -0.0008943000000000 ] - [ 0.0012018200000000, 0.0049470100000000, -0.0000430000000000 ] - [ -0.0005638400000000, -0.0016626500000000, 0.0000137200000000 ] - [ -0.0004091400000000, -0.0022879600000000, 0.0007810600000000 ] - [ 0.0034397600000000, -0.0325195900000000, 0.0032823800000000 ] - [ -0.0882739900000000, 0.2865618100000000, 0.1294633400000000 ] - [ 0.0002868700000000, -0.0018744400000000, -0.0003901000000000 ] - [ -0.0000021600000000, 0.0000754900000000, -0.0002276300000000 ] - [ 0.0001121400000000, -0.0007919000000000, -0.0001102500000000 ] - [ -0.0000369600000000, -0.0008330700000000, -0.0003226600000000 ] - [ 0.0031316100000000, 0.0013943700000000, -0.0010363200000000 ] - [ -0.0002138000000000, -0.0040795000000000, 0.0003829100000000 ] - [ -0.0017059900000000, -0.0044589800000000, 0.0029921800000000 ] - [ 0.0093710800000000, -0.0211556100000000, -0.0174570900000000 ] - [ 0.0002599100000000, -0.0021661200000000, -0.0003991600000000 ] - [ -0.0000526300000000, -0.0009056900000000, -0.0001155100000000 ] - [ -0.0004684900000000, -0.0009580600000000, -0.0001709900000000 ] - [ 0.0012229000000000, 0.0016383100000000, -0.0003511900000000 ] - [ 0.0002681200000000, -0.0015124400000000, 0.0003315700000000 ] - [ 0.0000335600000000, -0.0017324700000000, -0.0004589700000000 ] - [ -0.0008146200000000, 0.0013749400000000, 0.0008075800000000 ] - [ 0.0011901800000000, 0.0051956000000000, -0.0020057600000000 ] - [ 0.0002076400000000, -0.0018704300000000, 0.0004303200000000 ] - [ -0.0024874800000000, -0.0004866000000000, 0.0006126100000000 ] - [ 0.0003265500000000, -0.0009081700000000, -0.0001773900000000 ] - [ 0.0000714500000000, -0.0010431800000000, -0.0001241400000000 ] - [ -0.0002792800000000, 0.0025112600000000, 0.0017560700000000 ] - [ -0.0001255700000000, -0.0010365900000000, 0.0000953700000000 ] - [ 0.0228701200000000, -0.0026761600000000, 0.0027017000000000 ] - [ 0.0041886700000000, -0.0013567800000000, -0.0016169300000000 ] - [ -0.0003710000000000, -0.0009801500000000, 0.0003453400000000 ] - [ 0.0000570900000000, -0.0016586100000000, 0.0004469300000000 ] - [ 0.0017681700000000, -0.0000298700000000, 0.0011073900000000 ] - [ 0.0017342200000000, 0.0049805600000000, 0.0021544900000000 ] - [ -0.0002067200000000, -0.0018477200000000, -0.0004251200000000 ] - [ 0.0005573000000000, -0.0009148100000000, 0.0003121900000000 ] - [ 0.0002729500000000, -0.0009604500000000, 0.0002342200000000 ] - [ 0.0003466500000000, 0.0022706600000000, 0.0004818100000000 ] - [ -0.0003096000000000, -0.0015201700000000, -0.0003907800000000 ] - [ -0.0002407300000000, -0.0027225000000000, -0.0007341000000000 ] - [ 0.0014750100000000, -0.0025934400000000, 0.0007401100000000 ] - [ -0.0073886000000000, -0.0046894700000000, -0.0041210300000000 ] - [ -0.0001878600000000, -0.0020668400000000, 0.0006408000000000 ] - [ 0.0000494100000000, -0.0008471400000000, 0.0003090700000000 ] - [ -0.0001544000000000, 0.0015452400000000, -0.0025096000000000 ] - [ -0.0001079300000000, -0.0002008100000000, 0.0012616700000000 ] - [ -0.0000773400000000, -0.0009341300000000, -0.0003153300000000 ] - [ -0.0005822800000000, 0.0081860900000000, -0.0040647600000000 ] - [ -0.0002847900000000, -0.0017981400000000, 0.0004026200000000 ] - [ 0.0002439600000000, -0.0020985000000000, -0.0007758100000000 ] - [ 0.0004321600000000, 0.0023950000000000, 0.0029688800000000 ] - [ -0.0003845300000000, -0.0015729200000000, 0.0002540800000000 ] - [ -0.0005547800000000, 0.0005632400000000, -0.0009735100000000 ] - [ -0.0019149200000000, 0.0039683900000000, -0.0002337900000000 ] - [ 0.0005179900000000, -0.0016412000000000, -0.0000452900000000 ] - [ -0.0005679500000000, -0.0010359300000000, -0.0001912000000000 ] - [ -0.0005616000000000, -0.0007912800000000, -0.0002223300000000 ] - [ -0.0001581500000000, 0.0021667600000000, 0.0002045400000000 ] - [ 0.0003815900000000, -0.0014716100000000, 0.0001359700000000 ] - [ -0.0016991600000000, -0.0016974300000000, -0.0030625700000000 ] - [ 0.0001297700000000, -0.0010689900000000, 0.0006724300000000 ] - [ 0.0010298700000000, 0.0016137100000000, -0.0005349300000000 ] - [ 0.0001378300000000, -0.0007255600000000, -0.0000505400000000 ]- atom: 61 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0002358300000000, -0.0006644500000000, 0.0007570300000000 ] - [ -0.0010090100000000, -0.0000064500000000, 0.0007966200000000 ] - [ -0.0006140300000000, 0.0011694700000000, 0.0095915800000000 ] - [ -0.0000199400000000, -0.0005657400000000, 0.0000722300000000 ] - [ -0.0001099100000000, -0.0004103000000000, -0.0001622400000000 ] - [ -0.0008240500000000, -0.0002111100000000, -0.0000172400000000 ] - [ -0.0028088500000000, 0.0003405100000000, -0.0005131300000000 ] - [ -0.0000192700000000, -0.0005671500000000, -0.0000021600000000 ] - [ 0.0001461500000000, 0.0019090900000000, 0.0001858500000000 ] - [ -0.0003146100000000, -0.0010485200000000, -0.0000384900000000 ] - [ -0.0028216000000000, 0.0020820300000000, -0.0013893600000000 ] - [ -0.0000498700000000, -0.0005602500000000, -0.0000331500000000 ] - [ 0.0006730800000000, 0.0010166400000000, -0.0013123600000000 ] - [ -0.0001445100000000, -0.0005956500000000, -0.0000408700000000 ] - [ 0.0003121900000000, -0.0008793100000000, 0.0000835900000000 ] - [ 0.0015297600000000, -0.0003894500000000, -0.0000860600000000 ] - [ 0.0036682300000000, 0.0002361800000000, 0.0002037900000000 ] - [ 0.0000549300000000, -0.0009870500000000, -0.0000129700000000 ] - [ -0.0010355300000000, -0.0013250100000000, 0.0003451300000000 ] - [ -0.0005397100000000, -0.0001176400000000, 0.0030407200000000 ] - [ 0.0038993700000000, 0.0310961200000000, 0.0535241000000000 ] - [ -0.0000678100000000, -0.0009903200000000, 0.0000589200000000 ] - [ -0.0050544800000000, 0.0010082100000000, -0.0093288600000000 ] - [ 0.0001673500000000, -0.0005835400000000, -0.0000085300000000 ] - [ -0.0012543100000000, 0.0000359800000000, -0.0013667900000000 ] - [ 0.0001009700000000, -0.0005648800000000, -0.0000578800000000 ] - [ 0.0000056100000000, -0.0000903500000000, -0.0000207600000000 ] - [ 0.0041144900000000, 0.0004039900000000, -0.0023484600000000 ] - [ -0.0655925000000000, 0.0872109800000000, 0.0662186100000000 ] - [ -0.0000514300000000, -0.0009098600000000, 0.0002916600000000 ] - [ 0.0004382100000000, -0.0002791000000000, 0.0008270900000000 ] - [ 0.0002665400000000, -0.0007051200000000, 0.0004022700000000 ] - [ 0.0014789200000000, -0.0074948600000000, -0.0047747700000000 ] - [ -0.0001494000000000, -0.0004560000000000, 0.0000720400000000 ] - [ 0.0095529800000000, 0.0028707200000000, 0.0035645400000000 ] - [ -0.0001170300000000, -0.0007803900000000, -0.0000896600000000 ] - [ 0.0074999800000000, 0.0053975000000000, -0.0044173000000000 ] - [ 0.0001916300000000, -0.0009506900000000, 0.0000271100000000 ] - [ -0.0000895000000000, -0.0003687500000000, 0.0017647700000000 ] - [ 0.0003595800000000, -0.0009249900000000, 0.0001481000000000 ] - [ 0.0021772000000000, 0.0002657500000000, -0.0017627900000000 ] - [ 0.0000858700000000, -0.0008476700000000, -0.0006649100000000 ] - [ -0.0009663600000000, 0.0080642600000000, -0.0067174100000000 ] - [ -0.0000506800000000, -0.0009747900000000, -0.0003125500000000 ] - [ -0.0002471600000000, -0.0004261200000000, -0.0002716900000000 ] - [ -0.0015177600000000, -0.0011143900000000, 0.0002118700000000 ] - [ -0.0078284700000000, 0.0140990700000000, 0.0195957100000000 ] - [ -0.0001423800000000, 0.0002656300000000, -0.0000587200000000 ] - [ 0.0000784600000000, -0.0005718200000000, -0.0012075000000000 ] - [ 0.0001140300000000, 0.0004989900000000, -0.0001945900000000 ] - [ 0.0030194600000000, -0.0042637600000000, -0.0003715800000000 ] - [ 0.0001988600000000, 0.0006359600000000, -0.0000828800000000 ] - [ 0.0001716400000000, -0.0003277900000000, -0.0001597800000000 ] - [ 0.0003853000000000, 0.0006090600000000, -0.0000862800000000 ] - [ -0.0001541300000000, 0.0003614300000000, -0.0000051000000000 ] - [ 0.0004146300000000, -0.0001977200000000, -0.0000274000000000 ] - [ 0.0006051500000000, -0.0010388300000000, -0.0010096900000000 ] - [ 0.0000819500000000, 0.0004740800000000, -0.0000141700000000 ] - [ 0.0001958400000000, 0.0007076400000000, -0.0003634700000000 ] - [ 0.0027619200000000, 0.0011200800000000, -0.0064113700000000 ] - [ 0.0778976500000000, -0.1594999800000000, -0.1485939700000000 ] - [ -0.0001062800000000, 0.0006939400000000, 0.0002385200000000 ] - [ 0.0001776000000000, -0.0001292500000000, 0.0000736600000000 ] - [ 0.0000241900000000, 0.0002311300000000, -0.0001101300000000 ] - [ -0.0000029900000000, 0.0002687200000000, -0.0003226600000000 ] - [ -0.0027631000000000, -0.0004408500000000, 0.0000703700000000 ] - [ 0.0004451400000000, 0.0030017700000000, -0.0004849200000000 ] - [ 0.0003358100000000, 0.0003706000000000, -0.0006333300000000 ] - [ -0.0053064100000000, 0.0204186900000000, 0.0104725600000000 ] - [ -0.0000456800000000, 0.0005835000000000, 0.0000998900000000 ] - [ -0.0002045800000000, 0.0003009700000000, -0.0000838100000000 ] - [ -0.0001675200000000, 0.0001114700000000, -0.0000811100000000 ] - [ -0.0012766200000000, 0.0004141400000000, -0.0008395200000000 ] - [ -0.0001515600000000, 0.0006009400000000, -0.0002141800000000 ] - [ -0.0000675900000000, 0.0006814700000000, 0.0001097400000000 ] - [ -0.0015034100000000, -0.0017791000000000, -0.0002335400000000 ] - [ -0.0063464800000000, -0.0015113700000000, 0.0028560800000000 ] - [ -0.0001494800000000, 0.0005780700000000, -0.0001967900000000 ] - [ -0.0003386900000000, 0.0000611700000000, -0.0003979400000000 ] - [ -0.0004684700000000, 0.0003137900000000, -0.0000838100000000 ] - [ 0.0000080000000000, 0.0003597700000000, -0.0000655200000000 ] - [ -0.0028945500000000, -0.0048042800000000, 0.0056685000000000 ] - [ 0.0000358900000000, 0.0002917000000000, 0.0000894300000000 ] - [ -0.0158859100000000, 0.0092369700000000, -0.0075637800000000 ] - [ -0.0028648400000000, 0.0011094500000000, 0.0016857300000000 ] - [ 0.0002025700000000, 0.0002250700000000, 0.0001357900000000 ] - [ -0.0001145100000000, 0.0005191100000000, -0.0001135900000000 ] - [ -0.0022774200000000, 0.0010826700000000, -0.0014020300000000 ] - [ -0.0021265200000000, -0.0025551800000000, -0.0016255200000000 ] - [ 0.0001169800000000, 0.0005382600000000, 0.0001906600000000 ] - [ -0.0004675400000000, 0.0002828800000000, 0.0000521800000000 ] - [ -0.0002980400000000, 0.0005335400000000, -0.0000427800000000 ] - [ -0.0007691100000000, -0.0005079200000000, 0.0003437800000000 ] - [ 0.0001001000000000, 0.0006708900000000, 0.0002639600000000 ] - [ 0.0002243700000000, 0.0001867000000000, -0.0002783900000000 ] - [ 0.0000416100000000, 0.0002856700000000, -0.0004153300000000 ] - [ 0.0029251400000000, 0.0010050300000000, -0.0019455800000000 ] - [ 0.0000694500000000, 0.0007086900000000, -0.0002180200000000 ] - [ -0.0000472300000000, 0.0002950500000000, 0.0003795500000000 ] - [ -0.0022257400000000, -0.0009885600000000, 0.0062191400000000 ] - [ -0.0004535900000000, -0.0004848700000000, 0.0010993400000000 ] - [ -0.0000430400000000, 0.0003964400000000, 0.0002800900000000 ] - [ 0.0064233600000000, -0.0030792500000000, 0.0098865500000000 ] - [ 0.0001492800000000, 0.0007045400000000, -0.0002714700000000 ] - [ 0.0001207400000000, 0.0006138800000000, 0.0001366200000000 ] - [ 0.0013497900000000, -0.0026411900000000, -0.0011798000000000 ] - [ 0.0002761300000000, 0.0004052900000000, 0.0000632000000000 ] - [ 0.0019196000000000, 0.0009745500000000, 0.0010942800000000 ] - [ 0.0026300000000000, -0.0018041700000000, 0.0020606500000000 ] - [ -0.0000586000000000, 0.0004709000000000, 0.0000227900000000 ] - [ 0.0002990200000000, 0.0003501700000000, 0.0003103100000000 ] - [ 0.0004352200000000, 0.0004971900000000, 0.0002403900000000 ] - [ 0.0012166400000000, -0.0002637300000000, 0.0012662700000000 ] - [ -0.0000967400000000, 0.0005269200000000, 0.0000903200000000 ] - [ 0.0012655600000000, 0.0014367500000000, 0.0025283900000000 ] - [ -0.0001430400000000, 0.0001939100000000, 0.0000452700000000 ] - [ -0.0005767700000000, -0.0010110400000000, 0.0032002100000000 ] - [ 0.0001604300000000, 0.0002787800000000, 0.0000829000000000 ]- atom: 61 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0002625800000000, 0.0007123400000000, -0.0006452500000000 ] - [ 0.0010036900000000, 0.0000603500000000, -0.0006805100000000 ] - [ 0.0007414200000000, -0.0013234200000000, -0.0095250700000000 ] - [ -0.0000051200000000, 0.0005207800000000, -0.0000397100000000 ] - [ 0.0001427400000000, 0.0004520500000000, 0.0000326800000000 ] - [ 0.0008550700000000, 0.0002476200000000, -0.0001156000000000 ] - [ 0.0028171200000000, -0.0003687200000000, 0.0004811600000000 ] - [ 0.0000350600000000, 0.0005245300000000, -0.0000170700000000 ] - [ -0.0005099500000000, -0.0018898500000000, -0.0002620800000000 ] - [ -0.0000429000000000, 0.0010767900000000, -0.0000421300000000 ] - [ 0.0028123000000000, -0.0017137800000000, 0.0014074400000000 ] - [ 0.0000495400000000, 0.0009071300000000, 0.0000338000000000 ] - [ -0.0008367800000000, -0.0009883500000000, 0.0013019500000000 ] - [ -0.0000273000000000, 0.0006145800000000, 0.0000222000000000 ] - [ -0.0003142400000000, 0.0005858900000000, -0.0000843000000000 ] - [ -0.0015350900000000, 0.0000906400000000, 0.0000835900000000 ] - [ -0.0036836400000000, -0.0005142600000000, -0.0002096100000000 ] - [ -0.0000554800000000, 0.0006953800000000, 0.0000123300000000 ] - [ 0.0010423600000000, 0.0014995300000000, -0.0003476800000000 ] - [ 0.0005302400000000, 0.0003086800000000, -0.0030857600000000 ] - [ -0.0048456200000000, -0.0325694200000000, -0.0546259400000000 ] - [ 0.0000671000000000, 0.0007781300000000, -0.0000593300000000 ] - [ 0.0051897500000000, -0.0009841200000000, 0.0093052700000000 ] - [ 0.0000043200000000, 0.0006017000000000, 0.0000279900000000 ] - [ 0.0016174400000000, -0.0000081600000000, 0.0014539300000000 ] - [ 0.0002558300000000, 0.0005906400000000, 0.0001424500000000 ] - [ -0.0000067800000000, 0.0000390100000000, 0.0000220800000000 ] - [ -0.0040838800000000, -0.0004521900000000, 0.0023508800000000 ] - [ 0.0642528000000000, -0.0835128800000000, -0.0652647100000000 ] - [ 0.0000963500000000, 0.0009271100000000, 0.0001107100000000 ] - [ -0.0004130700000000, 0.0002642700000000, -0.0001425300000000 ] - [ -0.0002350100000000, 0.0006857700000000, 0.0002835300000000 ] - [ -0.0019355300000000, 0.0077454800000000, 0.0049624800000000 ] - [ -0.0003072700000000, 0.0007080600000000, 0.0001066600000000 ] - [ -0.0097768000000000, -0.0028307800000000, -0.0037710000000000 ] - [ -0.0000666600000000, 0.0008247300000000, -0.0001026600000000 ] - [ -0.0073342600000000, -0.0053699600000000, 0.0045950500000000 ] - [ -0.0000078700000000, 0.0009957800000000, 0.0001658400000000 ] - [ 0.0005379000000000, 0.0005858500000000, -0.0019293900000000 ] - [ 0.0000952900000000, 0.0011778400000000, -0.0003308900000000 ] - [ -0.0022167800000000, -0.0002791000000000, 0.0010815600000000 ] - [ -0.0001181800000000, 0.0008266800000000, -0.0000216900000000 ] - [ 0.0009556700000000, -0.0080515500000000, 0.0063193400000000 ] - [ 0.0000057000000000, 0.0009928200000000, -0.0000902900000000 ] - [ 0.0002484000000000, 0.0004623300000000, 0.0002737000000000 ] - [ 0.0015111100000000, 0.0011398400000000, -0.0002007700000000 ] - [ 0.0073941800000000, -0.0137647300000000, -0.0192970900000000 ] - [ -0.0001431500000000, -0.0001925400000000, 0.0000450300000000 ] - [ 0.0002004900000000, 0.0005707700000000, 0.0011330500000000 ] - [ 0.0001656900000000, -0.0005088500000000, 0.0001244300000000 ] - [ -0.0029951300000000, 0.0043498800000000, 0.0001787000000000 ] - [ -0.0001756700000000, -0.0005587400000000, -0.0000755100000000 ] - [ 0.0000818700000000, 0.0002764000000000, 0.0001193500000000 ] - [ -0.0001327700000000, -0.0006648900000000, 0.0000392400000000 ] - [ -0.0000580500000000, -0.0003445000000000, -0.0000131500000000 ] - [ -0.0006268600000000, 0.0002144800000000, 0.0000040800000000 ] - [ -0.0007692100000000, 0.0009854100000000, 0.0009921700000000 ] - [ -0.0002327400000000, -0.0005201500000000, 0.0000143100000000 ] - [ -0.0002719200000000, -0.0008785000000000, 0.0005580900000000 ] - [ -0.0028194600000000, -0.0014033100000000, 0.0065756100000000 ] - [ -0.0756493100000000, 0.1573385600000000, 0.1494068400000000 ] - [ 0.0000574700000000, -0.0004975100000000, -0.0000044600000000 ] - [ -0.0000555000000000, 0.0000372500000000, -0.0002807600000000 ] - [ 0.0000990500000000, -0.0003213600000000, -0.0000962700000000 ] - [ -0.0000279400000000, -0.0002400000000000, -0.0003102100000000 ] - [ 0.0027390400000000, 0.0004696400000000, -0.0007138800000000 ] - [ -0.0004001000000000, -0.0033825800000000, 0.0005484300000000 ] - [ -0.0002940700000000, -0.0007459500000000, 0.0007037100000000 ] - [ 0.0053838900000000, -0.0205098900000000, -0.0105503500000000 ] - [ 0.0000850700000000, -0.0004614000000000, -0.0001110100000000 ] - [ 0.0001824300000000, -0.0003650700000000, 0.0001325100000000 ] - [ 0.0001423200000000, -0.0001735300000000, 0.0001310500000000 ] - [ 0.0012302800000000, -0.0002346500000000, 0.0007057200000000 ] - [ 0.0001030800000000, -0.0004155000000000, 0.0000752300000000 ] - [ 0.0001453300000000, -0.0006524900000000, -0.0001530100000000 ] - [ 0.0015809000000000, 0.0018182500000000, 0.0002003500000000 ] - [ 0.0063176600000000, 0.0014373300000000, -0.0029492600000000 ] - [ 0.0000718900000000, -0.0006452500000000, 0.0001103700000000 ] - [ -0.0002649100000000, -0.0000848500000000, 0.0002721400000000 ] - [ -0.0001430700000000, -0.0003389100000000, -0.0000377200000000 ] - [ 0.0000325000000000, -0.0003917600000000, -0.0001333100000000 ] - [ 0.0029517700000000, 0.0048253200000000, -0.0059330300000000 ] - [ -0.0000777700000000, -0.0003228300000000, 0.0001096400000000 ] - [ 0.0158611800000000, -0.0092244900000000, 0.0076578200000000 ] - [ 0.0034868700000000, -0.0011388400000000, -0.0015690300000000 ] - [ 0.0004076400000000, -0.0002491700000000, -0.0000137600000000 ] - [ 0.0000368500000000, -0.0004895700000000, 0.0001582100000000 ] - [ 0.0022032300000000, -0.0010543200000000, 0.0014499400000000 ] - [ 0.0022167400000000, 0.0024867700000000, 0.0017151800000000 ] - [ -0.0000378900000000, -0.0006053000000000, -0.0001054000000000 ] - [ 0.0004955200000000, -0.0003483900000000, -0.0001013100000000 ] - [ 0.0003258500000000, -0.0005953100000000, -0.0000071100000000 ] - [ 0.0008223500000000, 0.0006881900000000, -0.0002031200000000 ] - [ -0.0000536900000000, -0.0004845100000000, -0.0001231900000000 ] - [ -0.0002757700000000, -0.0005432000000000, 0.0002202400000000 ] - [ -0.0000864200000000, -0.0006564800000000, 0.0003591500000000 ] - [ -0.0029438300000000, -0.0008410800000000, 0.0019839700000000 ] - [ -0.0001072900000000, -0.0005870100000000, 0.0002306100000000 ] - [ 0.0000782500000000, -0.0002672400000000, 0.0002530500000000 ] - [ 0.0022614700000000, 0.0010157600000000, -0.0055681100000000 ] - [ 0.0003345500000000, 0.0003925900000000, -0.0008993300000000 ] - [ -0.0000791700000000, -0.0004859800000000, -0.0000744300000000 ] - [ -0.0064505400000000, 0.0032662000000000, -0.0101589600000000 ] - [ -0.0001002500000000, -0.0005080100000000, 0.0000366600000000 ] - [ -0.0000466600000000, -0.0007847900000000, -0.0003277200000000 ] - [ -0.0012805300000000, 0.0024772900000000, 0.0009983400000000 ] - [ -0.0000657200000000, -0.0003886700000000, -0.0000455400000000 ] - [ -0.0016945700000000, -0.0009478400000000, -0.0010721800000000 ] - [ -0.0024652900000000, 0.0017455600000000, -0.0020551800000000 ] - [ 0.0002097900000000, -0.0005167000000000, -0.0000235700000000 ] - [ -0.0005554800000000, -0.0004066000000000, -0.0002721500000000 ] - [ -0.0006880700000000, -0.0005487300000000, -0.0002016300000000 ] - [ -0.0012413700000000, 0.0003364000000000, -0.0011109500000000 ] - [ 0.0000726600000000, -0.0004484200000000, 0.0000674800000000 ] - [ -0.0015518200000000, -0.0014494100000000, -0.0024672300000000 ] - [ -0.0001352200000000, -0.0002022100000000, 0.0000254800000000 ] - [ 0.0008490300000000, 0.0010804900000000, -0.0031918500000000 ] - [ 0.0001238800000000, -0.0002063100000000, -0.0000680000000000 ]- atom: 63 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0005779700000000, -0.0008539200000000, -0.0019159400000000 ] - [ -0.0000346500000000, 0.0000657400000000, -0.0000213400000000 ] - [ -0.0003576200000000, 0.0008885300000000, -0.0018790300000000 ] - [ -0.0000518300000000, -0.0000692700000000, -0.0000775800000000 ] - [ -0.0004216800000000, -0.0002913900000000, 0.0030493900000000 ] - [ 0.0000249800000000, 0.0000501700000000, 0.0000477900000000 ] - [ -0.0006094400000000, 0.0005213000000000, 0.0029340300000000 ] - [ 0.0000329500000000, -0.0000501900000000, 0.0001217700000000 ] - [ -0.0060710200000000, -0.0002447300000000, -0.0010650800000000 ] - [ -0.0002511300000000, 0.0000236900000000, -0.0000451300000000 ] - [ -0.0027052900000000, 0.0053087200000000, -0.0006223500000000 ] - [ 0.0000026500000000, -0.0000099900000000, -0.0000032700000000 ] - [ 0.0010058400000000, 0.0004555800000000, 0.0000112700000000 ] - [ 0.0011861400000000, -0.0006414100000000, -0.0000334300000000 ] - [ 0.0013080900000000, 0.0004097900000000, 0.0003082800000000 ] - [ 0.0000620500000000, -0.0001786500000000, 0.0000264400000000 ] - [ 0.0011687900000000, -0.0006978000000000, 0.0003768200000000 ] - [ 0.0000697000000000, -0.0001021400000000, 0.0000263500000000 ] - [ -0.0007824600000000, 0.0016388900000000, 0.0001406800000000 ] - [ -0.0000240000000000, 0.0000880500000000, 0.0000210400000000 ] - [ -0.0007353700000000, -0.0015479800000000, 0.0002339000000000 ] - [ -0.0000267700000000, -0.0000856900000000, 0.0000184100000000 ] - [ -0.0006392400000000, 0.0006007700000000, -0.0000699900000000 ] - [ -0.0007860600000000, -0.0007700800000000, -0.0000277400000000 ] - [ 0.0360472600000000, -0.0006971400000000, -0.0528207000000000 ] - [ 0.0002498400000000, 0.0000247100000000, 0.0000365100000000 ] - [ -0.0000750900000000, 0.0001819700000000, -0.0000823900000000 ] - [ -0.0000697700000000, -0.0002169300000000, -0.0000719400000000 ] - [ -0.0003713400000000, -0.0000386600000000, 0.0001676200000000 ] - [ -0.0003681500000000, 0.0000912500000000, 0.0001092800000000 ] - [ 0.0318322700000000, 0.0003395000000000, -0.0145094000000000 ] - [ 0.0000680200000000, -0.0000035800000000, 0.0003511300000000 ] - [ -0.0020868900000000, -0.0000090900000000, -0.0022538200000000 ] - [ -0.0002277300000000, 0.0001374800000000, 0.0000687300000000 ] - [ -0.0000680500000000, -0.0004772300000000, 0.0000885000000000 ] - [ -0.0000418500000000, 0.0005042000000000, 0.0001070600000000 ] - [ 0.0000400100000000, -0.0000210400000000, 0.0000067200000000 ] - [ 0.0000066000000000, 0.0000258900000000, -0.0000150400000000 ] - [ -0.0123615900000000, -0.0000219300000000, 0.0037105400000000 ] - [ 0.0002184700000000, 0.0001396000000000, -0.0000758300000000 ] - [ -0.0015566600000000, -0.0000324300000000, 0.0001483300000000 ] - [ -0.0000532300000000, -0.0000022500000000, -0.0003512600000000 ] - [ 0.0002660400000000, 0.0001371800000000, -0.0004329300000000 ] - [ 0.0002275800000000, -0.0000668900000000, -0.0003676200000000 ] - [ -0.0034548200000000, -0.0062033400000000, -0.0014446500000000 ] - [ 0.0000063700000000, 0.0002263100000000, -0.0000084800000000 ] - [ 0.0002749900000000, -0.0000051300000000, 0.0001021900000000 ] - [ 0.0003045400000000, 0.0000770400000000, 0.0001445000000000 ] - [ 0.0042001500000000, 0.0000382100000000, 0.0008749700000000 ] - [ 0.0001646000000000, -0.0000063300000000, -0.0000249600000000 ] - [ 0.0035567600000000, -0.0011949100000000, 0.0008729700000000 ] - [ 0.0000559600000000, 0.0000878800000000, -0.0000457900000000 ] - [ 0.0030046200000000, 0.0011305000000000, 0.0007509500000000 ] - [ 0.0001619800000000, -0.0000754400000000, 0.0000128700000000 ] - [ -0.0008437700000000, 0.0017237900000000, 0.0007972900000000 ] - [ -0.0001553700000000, -0.0002449100000000, -0.0000151700000000 ] - [ -0.0007693300000000, -0.0014309400000000, 0.0005956100000000 ] - [ -0.0001591100000000, 0.0002900400000000, 0.0000331300000000 ] - [ 0.0004236000000000, -0.0002324600000000, 0.0005016000000000 ] - [ 0.0000372300000000, -0.0000570100000000, 0.0001034000000000 ] - [ 0.0004331400000000, 0.0001573600000000, 0.0005172800000000 ] - [ 0.0000621100000000, 0.0000432600000000, 0.0001294900000000 ] - [ -0.0650627700000000, 0.0003741800000000, 0.0893637400000000 ] - [ 0.0000306000000000, -0.0000469000000000, -0.0000918300000000 ] - [ -0.0003642900000000, -0.0001937500000000, -0.0002813900000000 ] - [ -0.0003264000000000, 0.0001717100000000, -0.0002827900000000 ] - [ 0.0007358800000000, -0.0007714700000000, 0.0009601800000000 ] - [ 0.0000288000000000, -0.0001802000000000, 0.0000360500000000 ] - [ 0.0006235400000000, 0.0006988500000000, 0.0008901200000000 ] - [ 0.0000320000000000, 0.0000523100000000, 0.0000017900000000 ] - [ -0.0068074400000000, 0.0027573400000000, 0.0058841000000000 ] - [ -0.0000374000000000, -0.0000314300000000, 0.0000389100000000 ] - [ -0.0067179500000000, -0.0025550900000000, 0.0052899400000000 ] - [ -0.0000609900000000, 0.0001023200000000, -0.0000443400000000 ] - [ 0.0001470000000000, 0.0001764000000000, 0.0002674900000000 ] - [ 0.0000139600000000, 0.0000071900000000, -0.0000073500000000 ] - [ 0.0000396500000000, -0.0001366600000000, 0.0002103100000000 ] - [ -0.0000637800000000, -0.0000278800000000, -0.0000203000000000 ] - [ 0.0128454000000000, -0.0001389900000000, -0.0217968400000000 ] - [ -0.0003214800000000, -0.0000122400000000, -0.0000507000000000 ] - [ 0.0000255200000000, -0.0000465600000000, -0.0000383900000000 ] - [ -0.0000119300000000, -0.0000019700000000, -0.0000406800000000 ] - [ 0.0001403300000000, -0.0001855600000000, 0.0001013900000000 ] - [ 0.0001471900000000, 0.0001287800000000, 0.0000924800000000 ] - [ 0.0012094600000000, -0.0000095400000000, 0.0004004200000000 ] - [ 0.0003144900000000, -0.0000118100000000, 0.0000516800000000 ] - [ -0.0002914300000000, -0.0002691100000000, -0.0003014800000000 ] - [ -0.0000565800000000, 0.0001517300000000, -0.0000716400000000 ] - [ -0.0001910600000000, 0.0002542300000000, -0.0002939500000000 ] - [ 0.0000176900000000, -0.0001891100000000, -0.0000636600000000 ] - [ 0.0000964700000000, -0.0004006000000000, -0.0005889700000000 ] - [ 0.0000144300000000, -0.0000236800000000, -0.0000550300000000 ] - [ 0.0002032800000000, 0.0004653000000000, -0.0004868400000000 ] - [ 0.0000360600000000, 0.0000945400000000, 0.0000301800000000 ] - [ 0.0020752800000000, -0.0023978800000000, -0.0021254500000000 ] - [ -0.0000164100000000, -0.0001727800000000, -0.0000416400000000 ] - [ 0.0021223700000000, 0.0024020200000000, -0.0022051300000000 ] - [ -0.0000187200000000, 0.0000440200000000, -0.0000074400000000 ] - [ 0.0002856100000000, 0.0000548200000000, 0.0002738300000000 ] - [ 0.0002670200000000, -0.0000364900000000, 0.0002859700000000 ] - [ 0.0017832500000000, -0.0000218200000000, -0.0002433200000000 ] - [ -0.0000352600000000, -0.0000468900000000, 0.0000936700000000 ] - [ -0.0004183700000000, 0.0000486200000000, -0.0008275100000000 ] - [ -0.0000066800000000, 0.0000770400000000, -0.0001204400000000 ] - [ -0.0003832100000000, -0.0002015500000000, -0.0008436600000000 ] - [ 0.0000128700000000, -0.0001008000000000, -0.0000936400000000 ] - [ 0.0016439900000000, 0.0018143200000000, -0.0002829400000000 ] - [ 0.0001087100000000, -0.0002479000000000, 0.0000150600000000 ] - [ 0.0012249700000000, -0.0014248400000000, -0.0002542100000000 ] - [ 0.0001018600000000, 0.0002819000000000, -0.0000365000000000 ] - [ 0.0044766700000000, 0.0069262200000000, -0.0081769100000000 ] - [ -0.0001671700000000, -0.0000810700000000, -0.0000113600000000 ] - [ 0.0036675200000000, -0.0061054200000000, -0.0090669100000000 ] - [ -0.0000579700000000, 0.0000905300000000, 0.0000466700000000 ] - [ -0.0020951800000000, 0.0000105300000000, 0.0050907400000000 ] - [ -0.0001573900000000, -0.0000068500000000, 0.0000323400000000 ] - [ -0.0002730800000000, 0.0000647900000000, 0.0000838000000000 ] - [ -0.0002950000000000, 0.0000006200000000, 0.0000464400000000 ]- atom: 63 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0005353600000000, 0.0009159100000000, 0.0020507700000000 ] - [ 0.0000106200000000, -0.0000011800000000, 0.0001391600000000 ] - [ 0.0003120200000000, -0.0009542400000000, 0.0019196300000000 ] - [ 0.0000269100000000, 0.0000013700000000, 0.0001029300000000 ] - [ 0.0004570100000000, 0.0003517800000000, -0.0031852500000000 ] - [ 0.0000061500000000, 0.0000139500000000, -0.0001824100000000 ] - [ 0.0006297900000000, -0.0005884200000000, -0.0029484100000000 ] - [ -0.0000175700000000, -0.0000151100000000, -0.0001336300000000 ] - [ 0.0057176000000000, 0.0002861100000000, 0.0009989300000000 ] - [ -0.0001176300000000, 0.0000178200000000, -0.0000207600000000 ] - [ 0.0027117100000000, -0.0050367500000000, 0.0006139100000000 ] - [ -0.0000034200000000, 0.0003189100000000, 0.0000037600000000 ] - [ -0.0011837400000000, -0.0004466600000000, -0.0000283900000000 ] - [ -0.0013735500000000, 0.0006485700000000, 0.0000233500000000 ] - [ -0.0012842300000000, -0.0006778100000000, -0.0003376300000000 ] - [ -0.0000624300000000, -0.0000616500000000, -0.0000254500000000 ] - [ -0.0011456400000000, 0.0003803800000000, -0.0004061400000000 ] - [ -0.0000695300000000, -0.0002368200000000, -0.0000269400000000 ] - [ 0.0007754500000000, -0.0014193600000000, -0.0001383500000000 ] - [ 0.0000245800000000, 0.0001370100000000, -0.0000213500000000 ] - [ 0.0007295400000000, 0.0012931700000000, -0.0002315800000000 ] - [ 0.0000253900000000, -0.0001704200000000, -0.0000185700000000 ] - [ 0.0008180300000000, -0.0005961600000000, 0.0000883500000000 ] - [ 0.0009744900000000, 0.0007801100000000, 0.0000389300000000 ] - [ -0.0353067500000000, 0.0007443600000000, 0.0536537200000000 ] - [ 0.0001191700000000, 0.0000174900000000, 0.0000297900000000 ] - [ 0.0000745300000000, -0.0002322800000000, 0.0000827300000000 ] - [ 0.0000688400000000, 0.0001642100000000, 0.0000724400000000 ] - [ 0.0004298600000000, 0.0000344400000000, 0.0002556200000000 ] - [ 0.0004255300000000, -0.0000900300000000, 0.0003140600000000 ] - [ -0.0321175300000000, -0.0003466700000000, 0.0168430600000000 ] - [ -0.0000139100000000, 0.0000052800000000, 0.0003868300000000 ] - [ 0.0016474900000000, 0.0002740000000000, 0.0023966400000000 ] - [ -0.0002243300000000, 0.0001268200000000, 0.0000636300000000 ] - [ -0.0001270300000000, 0.0005096300000000, -0.0002620800000000 ] - [ -0.0001473200000000, -0.0004772900000000, -0.0002912400000000 ] - [ 0.0001572300000000, 0.0000579100000000, 0.0001627800000000 ] - [ 0.0001848400000000, -0.0000041200000000, 0.0001943500000000 ] - [ 0.0128253800000000, 0.0002849300000000, -0.0038350800000000 ] - [ 0.0002329300000000, 0.0001259600000000, -0.0000572300000000 ] - [ 0.0015076100000000, 0.0000316400000000, -0.0009108700000000 ] - [ -0.0000011200000000, 0.0000049200000000, -0.0003877700000000 ] - [ -0.0003274100000000, -0.0001409000000000, 0.0000094700000000 ] - [ -0.0002879500000000, 0.0000683800000000, -0.0000558600000000 ] - [ 0.0034605800000000, 0.0063364200000000, 0.0014380500000000 ] - [ -0.0000071900000000, -0.0001326100000000, 0.0000083000000000 ] - [ -0.0005460500000000, 0.0000740800000000, -0.0001490400000000 ] - [ -0.0005747900000000, -0.0000106000000000, -0.0001916000000000 ] - [ -0.0039345800000000, -0.0000514000000000, -0.0009709900000000 ] - [ 0.0001045900000000, -0.0000061700000000, -0.0000579900000000 ] - [ -0.0035592900000000, 0.0012999300000000, -0.0010413200000000 ] - [ -0.0000346200000000, -0.0000028700000000, -0.0001144600000000 ] - [ -0.0027826800000000, -0.0012025200000000, -0.0008058100000000 ] - [ 0.0000757500000000, 0.0000270100000000, -0.0000663900000000 ] - [ 0.0006529000000000, -0.0017132000000000, -0.0008205600000000 ] - [ -0.0000413500000000, 0.0002614800000000, -0.0000029400000000 ] - [ 0.0006365300000000, 0.0013908800000000, -0.0006076200000000 ] - [ 0.0000195500000000, -0.0003341300000000, -0.0000384700000000 ] - [ -0.0005092600000000, 0.0000575100000000, -0.0003001000000000 ] - [ -0.0001239900000000, -0.0001163500000000, 0.0001028500000000 ] - [ -0.0004789000000000, 0.0000342800000000, -0.0002657100000000 ] - [ -0.0001092500000000, 0.0001468600000000, 0.0001224300000000 ] - [ 0.0651056600000000, -0.0004626800000000, -0.0919695100000000 ] - [ 0.0000915200000000, -0.0000487500000000, -0.0001264600000000 ] - [ 0.0003444400000000, 0.0002237500000000, -0.0003386600000000 ] - [ 0.0003033600000000, -0.0001443000000000, -0.0003396000000000 ] - [ -0.0006864900000000, 0.0004048500000000, -0.0009044100000000 ] - [ 0.0000175200000000, -0.0001916300000000, 0.0000261200000000 ] - [ -0.0005735700000000, -0.0005710600000000, -0.0009001200000000 ] - [ 0.0000135500000000, 0.0000786200000000, -0.0000070900000000 ] - [ 0.0068091900000000, -0.0028087900000000, -0.0057850700000000 ] - [ 0.0000161500000000, -0.0000394700000000, 0.0000049600000000 ] - [ 0.0066765900000000, 0.0027333500000000, -0.0053657700000000 ] - [ -0.0000013700000000, 0.0000969600000000, -0.0000879800000000 ] - [ -0.0000631400000000, -0.0001414300000000, -0.0003131000000000 ] - [ 0.0000649400000000, 0.0000099500000000, -0.0000476400000000 ] - [ -0.0001244100000000, 0.0000561800000000, -0.0002894700000000 ] - [ -0.0000250600000000, -0.0000364100000000, -0.0000656300000000 ] - [ -0.0133971700000000, 0.0001122500000000, 0.0214852500000000 ] - [ -0.0002843700000000, -0.0000117900000000, -0.0000548100000000 ] - [ 0.0000234000000000, 0.0000134700000000, -0.0001698300000000 ] - [ 0.0000626700000000, -0.0000331800000000, -0.0001688300000000 ] - [ -0.0001890800000000, 0.0001518000000000, 0.0001073700000000 ] - [ -0.0001975800000000, -0.0001626200000000, 0.0001175000000000 ] - [ -0.0006078700000000, -0.0000141600000000, -0.0002848300000000 ] - [ 0.0002906400000000, -0.0000113400000000, 0.0000535500000000 ] - [ 0.0002066400000000, 0.0002933200000000, 0.0003568500000000 ] - [ -0.0000234500000000, -0.0001338000000000, 0.0001279600000000 ] - [ 0.0002755200000000, -0.0003248500000000, 0.0003816100000000 ] - [ 0.0000709900000000, 0.0001238900000000, 0.0001491500000000 ] - [ -0.0000816500000000, 0.0003282600000000, 0.0005547100000000 ] - [ 0.0000057800000000, -0.0000453800000000, 0.0000087300000000 ] - [ -0.0001494400000000, -0.0002635000000000, 0.0006321900000000 ] - [ 0.0000248800000000, 0.0001056100000000, 0.0001026500000000 ] - [ -0.0021189300000000, 0.0020226000000000, 0.0020615700000000 ] - [ -0.0000297000000000, -0.0001976200000000, -0.0000188500000000 ] - [ -0.0021651700000000, -0.0022661400000000, 0.0022073200000000 ] - [ -0.0000272600000000, 0.0000884500000000, 0.0000111400000000 ] - [ -0.0002680700000000, -0.0000260500000000, 0.0003485400000000 ] - [ -0.0002458800000000, 0.0000634700000000, 0.0003386600000000 ] - [ -0.0019052100000000, -0.0000739500000000, 0.0004769700000000 ] - [ -0.0000884600000000, -0.0000482000000000, 0.0001230700000000 ] - [ 0.0004670500000000, 0.0001430400000000, 0.0005732500000000 ] - [ 0.0000539500000000, 0.0001129200000000, -0.0001331900000000 ] - [ 0.0004699700000000, 0.0000267300000000, 0.0006423100000000 ] - [ 0.0000729800000000, -0.0000731900000000, -0.0001120300000000 ] - [ -0.0014497900000000, -0.0018032400000000, 0.0002999000000000 ] - [ 0.0000869000000000, 0.0002652600000000, 0.0000010500000000 ] - [ -0.0010878500000000, 0.0013856400000000, 0.0002623000000000 ] - [ 0.0000384000000000, -0.0003268100000000, 0.0000423400000000 ] - [ -0.0047398300000000, -0.0070498300000000, 0.0083264300000000 ] - [ -0.0000733200000000, 0.0000293800000000, 0.0000621900000000 ] - [ -0.0037013600000000, 0.0062501600000000, 0.0093193200000000 ] - [ 0.0000361900000000, -0.0000052700000000, 0.0001130000000000 ] - [ 0.0018154200000000, -0.0000245400000000, -0.0050285500000000 ] - [ -0.0001118700000000, -0.0000065200000000, 0.0000523300000000 ] - [ 0.0005430000000000, 0.0000026300000000, -0.0000373800000000 ] - [ 0.0005651400000000, 0.0000661800000000, 0.0000000000000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030304800000000, -0.0004160000000000, -0.0010820700000000 ] - [ 0.0000674700000000, -0.0009766600000000, 0.0001714100000000 ] - [ 0.0029657800000000, -0.0004360600000000, 0.0010389600000000 ] - [ -0.0001282800000000, -0.0010382300000000, -0.0001082500000000 ] - [ -0.0002945000000000, 0.0001706000000000, 0.0017838600000000 ] - [ 0.0000312400000000, -0.0009114500000000, -0.0001100000000000 ] - [ 0.0003740600000000, -0.0002306000000000, -0.0016870400000000 ] - [ 0.0000257000000000, -0.0009769500000000, 0.0000391400000000 ] - [ -0.0002865800000000, 0.0046597700000000, -0.0000855800000000 ] - [ -0.0001657700000000, -0.0013431000000000, -0.0000326900000000 ] - [ 0.0052054200000000, -0.0019259100000000, -0.0000057200000000 ] - [ -0.0001474500000000, -0.0013101400000000, 0.0001297900000000 ] - [ -0.0003877500000000, -0.0028284300000000, -0.0001264700000000 ] - [ 0.0002235700000000, -0.0028868300000000, 0.0000241200000000 ] - [ 0.0021806800000000, -0.0017554600000000, -0.0037734900000000 ] - [ -0.0000209400000000, -0.0016765600000000, 0.0000672100000000 ] - [ -0.0021116000000000, -0.0018778300000000, 0.0037082500000000 ] - [ 0.0000183700000000, -0.0016738200000000, -0.0000653000000000 ] - [ -0.0000403100000000, 0.0015272400000000, 0.0003263000000000 ] - [ -0.0000148900000000, -0.0013545000000000, -0.0000589000000000 ] - [ -0.0000888900000000, 0.0012314300000000, -0.0003582800000000 ] - [ 0.0000159900000000, -0.0015409300000000, 0.0000608700000000 ] - [ 0.0002550100000000, -0.0009958000000000, -0.0000222700000000 ] - [ -0.0001880100000000, -0.0010846100000000, 0.0000767900000000 ] - [ -0.0003053200000000, 0.0178363200000000, 0.0010845000000000 ] - [ 0.0001671000000000, -0.0013786300000000, 0.0000341700000000 ] - [ 0.0002699100000000, -0.0002240500000000, 0.0000764700000000 ] - [ -0.0002509700000000, -0.0002198500000000, -0.0000560200000000 ] - [ -0.0002038800000000, -0.0006898700000000, 0.0005375300000000 ] - [ 0.0002906400000000, -0.0006830700000000, -0.0001657200000000 ] - [ 0.0002718900000000, 0.0338075400000000, -0.0003327700000000 ] - [ 0.0000279700000000, -0.0016666600000000, 0.0003552200000000 ] - [ -0.0000942400000000, 0.0033169600000000, 0.0001267200000000 ] - [ -0.0002391600000000, -0.0014252200000000, 0.0000820500000000 ] - [ -0.0006804200000000, -0.0012533700000000, 0.0006021700000000 ] - [ 0.0005614100000000, -0.0012179300000000, -0.0009171200000000 ] - [ 0.0001999500000000, -0.0013285900000000, 0.0002807400000000 ] - [ -0.0000289900000000, -0.0013438400000000, -0.0001397700000000 ] - [ 0.0002895500000000, 0.0029167300000000, -0.0001489200000000 ] - [ 0.0002376200000000, -0.0014183200000000, -0.0000846000000000 ] - [ 0.0001311000000000, 0.0047979100000000, -0.0003384800000000 ] - [ -0.0000281900000000, -0.0015838100000000, -0.0003551500000000 ] - [ 0.0001934300000000, -0.0010842800000000, -0.0011637400000000 ] - [ -0.0002596100000000, -0.0010666400000000, 0.0008181000000000 ] - [ -0.0062072600000000, -0.0023048800000000, -0.0005017400000000 ] - [ 0.0002123800000000, -0.0017490500000000, -0.0001823700000000 ] - [ -0.0000569100000000, 0.0003034300000000, -0.0002035000000000 ] - [ -0.0002250300000000, 0.0003128700000000, 0.0002259500000000 ] - [ 0.0001190200000000, -0.0014944200000000, -0.0000226200000000 ] - [ 0.0001347700000000, 0.0005898700000000, -0.0000316700000000 ] - [ -0.0026447600000000, -0.0019471700000000, -0.0004928500000000 ] - [ 0.0003281000000000, 0.0010549300000000, -0.0000438400000000 ] - [ 0.0027866300000000, -0.0019403400000000, 0.0005492700000000 ] - [ -0.0002500600000000, 0.0010020300000000, -0.0001276700000000 ] - [ 0.0014405500000000, 0.0019947800000000, 0.0001034300000000 ] - [ -0.0005612100000000, 0.0014149500000000, 0.0001272900000000 ] - [ -0.0014493200000000, 0.0021358200000000, -0.0002626600000000 ] - [ 0.0003112500000000, 0.0013539800000000, -0.0000004600000000 ] - [ 0.0002480900000000, -0.0002193600000000, 0.0003668900000000 ] - [ 0.0000830300000000, 0.0006639500000000, -0.0001504300000000 ] - [ -0.0002867800000000, -0.0000220500000000, -0.0001291300000000 ] - [ -0.0001515200000000, 0.0008451400000000, 0.0003620500000000 ] - [ 0.0004376500000000, -0.0418433000000000, -0.0001887700000000 ] - [ 0.0000648000000000, 0.0005783200000000, -0.0001072300000000 ] - [ -0.0004854300000000, 0.0009174000000000, 0.0002297400000000 ] - [ 0.0003970200000000, 0.0008301300000000, -0.0007884100000000 ] - [ 0.0005145100000000, -0.0017925100000000, 0.0009598800000000 ] - [ 0.0001362800000000, 0.0008152700000000, -0.0002360400000000 ] - [ -0.0004141800000000, -0.0016688300000000, -0.0009790100000000 ] - [ -0.0001002600000000, 0.0010779700000000, 0.0002600100000000 ] - [ 0.0027188500000000, 0.0022924800000000, 0.0183902600000000 ] - [ 0.0001790300000000, 0.0010377200000000, 0.0002609900000000 ] - [ -0.0027898500000000, 0.0023487600000000, -0.0181865700000000 ] - [ -0.0002188000000000, 0.0011735500000000, -0.0003084800000000 ] - [ 0.0006212900000000, 0.0016214700000000, 0.0010654900000000 ] - [ 0.0001611400000000, 0.0010565500000000, 0.0001571300000000 ] - [ -0.0006117600000000, 0.0015015900000000, -0.0011021600000000 ] - [ -0.0001682600000000, 0.0010252700000000, -0.0002198400000000 ] - [ -0.0004985600000000, -0.0067297300000000, 0.0000822400000000 ] - [ -0.0003132000000000, 0.0005512000000000, -0.0000587800000000 ] - [ 0.0001339900000000, 0.0003451600000000, -0.0002341100000000 ] - [ -0.0000771200000000, 0.0003631800000000, 0.0000382800000000 ] - [ -0.0003654500000000, 0.0002690800000000, 0.0002011100000000 ] - [ 0.0003047900000000, 0.0002900300000000, 0.0000172400000000 ] - [ 0.0002338500000000, -0.0017193900000000, 0.0000896800000000 ] - [ 0.0003132600000000, 0.0005407800000000, 0.0000585900000000 ] - [ -0.0005590200000000, 0.0004085500000000, 0.0004147400000000 ] - [ -0.0000971200000000, 0.0009721100000000, -0.0003496800000000 ] - [ 0.0005851700000000, 0.0004751300000000, -0.0003254100000000 ] - [ 0.0000965400000000, 0.0009348900000000, 0.0004327800000000 ] - [ 0.0000820500000000, -0.0021228500000000, 0.0014025400000000 ] - [ -0.0001644700000000, 0.0009884900000000, -0.0002836100000000 ] - [ -0.0001771200000000, -0.0019468800000000, -0.0013667200000000 ] - [ 0.0002035200000000, 0.0011247400000000, 0.0003326200000000 ] - [ 0.0002682300000000, -0.0019340400000000, -0.0009878800000000 ] - [ -0.0001458300000000, 0.0008243200000000, 0.0002526700000000 ] - [ -0.0002873800000000, -0.0017093100000000, 0.0010858000000000 ] - [ 0.0001083800000000, 0.0010856600000000, -0.0002760100000000 ] - [ -0.0000125900000000, 0.0003881900000000, 0.0003363500000000 ] - [ 0.0000557300000000, 0.0004241400000000, 0.0002950500000000 ] - [ -0.0000893700000000, -0.0017926000000000, 0.0000835700000000 ] - [ -0.0000640200000000, 0.0005444000000000, 0.0001072400000000 ] - [ 0.0002733400000000, 0.0002540400000000, 0.0005303200000000 ] - [ 0.0002226300000000, 0.0009876200000000, -0.0005117000000000 ] - [ -0.0002090200000000, -0.0000121700000000, -0.0008149900000000 ] - [ -0.0001599700000000, 0.0008053600000000, 0.0002908200000000 ] - [ 0.0014742300000000, 0.0012073500000000, -0.0002423900000000 ] - [ 0.0003405900000000, 0.0009456900000000, -0.0000008900000000 ] - [ -0.0009236200000000, 0.0008982300000000, 0.0001991400000000 ] - [ -0.0001035200000000, 0.0009233600000000, -0.0000578100000000 ] - [ 0.0073124300000000, 0.0015037800000000, -0.0080654500000000 ] - [ 0.0001546700000000, 0.0009837100000000, 0.0001730800000000 ] - [ -0.0068034100000000, 0.0003836900000000, 0.0086353300000000 ] - [ -0.0002514200000000, 0.0010392300000000, 0.0000139900000000 ] - [ -0.0002941400000000, -0.0040001900000000, -0.0005021800000000 ] - [ -0.0001333400000000, 0.0006012900000000, 0.0000323000000000 ] - [ 0.0002105500000000, 0.0007409300000000, 0.0005722700000000 ] - [ 0.0000750300000000, 0.0007561000000000, -0.0005991100000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030067500000000, 0.0004614700000000, 0.0012049600000000 ] - [ -0.0000932400000000, 0.0010339300000000, -0.0000539100000000 ] - [ -0.0029913400000000, 0.0003892100000000, -0.0010074900000000 ] - [ 0.0001048300000000, 0.0009828000000000, 0.0001388600000000 ] - [ 0.0003244100000000, -0.0001267900000000, -0.0019126100000000 ] - [ 0.0000035200000000, 0.0009651500000000, -0.0000211600000000 ] - [ -0.0003593900000000, 0.0001836300000000, 0.0016766800000000 ] - [ -0.0000105500000000, 0.0009234500000000, -0.0000555100000000 ] - [ -0.0000760100000000, -0.0046260100000000, 0.0000143800000000 ] - [ -0.0001979100000000, 0.0013782800000000, -0.0000422600000000 ] - [ -0.0051758600000000, 0.0022524400000000, -0.0000126400000000 ] - [ 0.0001482900000000, 0.0016372900000000, -0.0001305500000000 ] - [ 0.0002096700000000, 0.0028310400000000, 0.0001111100000000 ] - [ -0.0004020100000000, 0.0029125300000000, -0.0000407900000000 ] - [ -0.0021765700000000, 0.0014739000000000, 0.0037609000000000 ] - [ 0.0000205100000000, 0.0014085500000000, -0.0000658400000000 ] - [ 0.0021149000000000, 0.0015778000000000, -0.0037198200000000 ] - [ -0.0000183200000000, 0.0013562000000000, 0.0000654400000000 ] - [ 0.0000417200000000, -0.0013361700000000, -0.0003268300000000 ] - [ 0.0000155700000000, 0.0015560100000000, 0.0000583900000000 ] - [ 0.0000914200000000, -0.0014569200000000, 0.0003579100000000 ] - [ -0.0000168400000000, 0.0013044500000000, -0.0000612500000000 ] - [ -0.0000770900000000, 0.0010113800000000, 0.0000374700000000 ] - [ 0.0003668100000000, 0.0010961500000000, -0.0000596400000000 ] - [ 0.0009969300000000, -0.0178229700000000, -0.0018002600000000 ] - [ 0.0001975600000000, 0.0014141400000000, 0.0000409700000000 ] - [ -0.0002723900000000, 0.0001747100000000, -0.0000764200000000 ] - [ 0.0002483300000000, 0.0001660100000000, 0.0000564800000000 ] - [ 0.0002543700000000, 0.0007010400000000, -0.0001238500000000 ] - [ -0.0002393900000000, 0.0006883500000000, 0.0005782700000000 ] - [ -0.0002865700000000, -0.0338387400000000, 0.0027832200000000 ] - [ 0.0000163000000000, 0.0016587200000000, 0.0003572100000000 ] - [ -0.0003446600000000, -0.0030586100000000, 0.0000408100000000 ] - [ -0.0002157200000000, 0.0016815000000000, 0.0000744100000000 ] - [ 0.0004900300000000, 0.0012943500000000, -0.0007830300000000 ] - [ -0.0007518100000000, 0.0012516600000000, 0.0007376600000000 ] - [ -0.0000111400000000, 0.0013702300000000, -0.0000954200000000 ] - [ 0.0002175900000000, 0.0013763900000000, 0.0003237700000000 ] - [ 0.0002204500000000, -0.0026600900000000, -0.0000149800000000 ] - [ 0.0002167800000000, 0.0016757100000000, -0.0000724800000000 ] - [ -0.0001755500000000, -0.0048065800000000, -0.0003778500000000 ] - [ -0.0000163500000000, 0.0015765700000000, -0.0003579600000000 ] - [ -0.0002432300000000, 0.0010946300000000, 0.0007440800000000 ] - [ 0.0002086000000000, 0.0010734500000000, -0.0012367500000000 ] - [ 0.0062377500000000, 0.0023669300000000, 0.0004809800000000 ] - [ -0.0002108400000000, 0.0018147100000000, 0.0001805600000000 ] - [ -0.0002241000000000, -0.0002334300000000, 0.0001764000000000 ] - [ -0.0000497000000000, -0.0002421100000000, -0.0002556400000000 ] - [ 0.0001455900000000, 0.0014846800000000, -0.0000596500000000 ] - [ 0.0001396600000000, -0.0005997900000000, -0.0000431000000000 ] - [ 0.0026643200000000, 0.0020224700000000, 0.0003308900000000 ] - [ -0.0003049600000000, -0.0009735200000000, -0.0001168200000000 ] - [ -0.0025445700000000, 0.0018928400000000, -0.0005974500000000 ] - [ 0.0004987200000000, -0.0010569600000000, 0.0000840800000000 ] - [ -0.0016616100000000, -0.0019915700000000, -0.0001235100000000 ] - [ 0.0003539300000000, -0.0013947100000000, -0.0001423300000000 ] - [ 0.0012905300000000, -0.0021682300000000, 0.0002533400000000 ] - [ -0.0004572000000000, -0.0014027100000000, -0.0000046000000000 ] - [ -0.0003296000000000, 0.0000498400000000, -0.0001712400000000 ] - [ -0.0001655800000000, -0.0008391200000000, 0.0003482500000000 ] - [ 0.0002367300000000, 0.0002136900000000, 0.0003684900000000 ] - [ 0.0001027000000000, -0.0006495300000000, -0.0001200200000000 ] - [ -0.0004013900000000, 0.0417973000000000, -0.0008302900000000 ] - [ 0.0000592400000000, -0.0006711100000000, -0.0001029400000000 ] - [ 0.0004612500000000, -0.0008907100000000, -0.0008625800000000 ] - [ -0.0004188200000000, -0.0008000700000000, 0.0001529500000000 ] - [ -0.0004697600000000, 0.0014271900000000, -0.0009017700000000 ] - [ -0.0000900700000000, -0.0011852900000000, 0.0002969700000000 ] - [ 0.0004546700000000, 0.0017924400000000, 0.0009678500000000 ] - [ 0.0001430700000000, -0.0009504500000000, -0.0002680900000000 ] - [ -0.0027938900000000, -0.0023531000000000, -0.0184615400000000 ] - [ -0.0002015700000000, -0.0011058700000000, -0.0002160400000000 ] - [ 0.0026827400000000, -0.0021638200000000, 0.0179332300000000 ] - [ 0.0001634400000000, -0.0009811700000000, 0.0001721900000000 ] - [ -0.0005401700000000, -0.0015911700000000, -0.0011115100000000 ] - [ -0.0000818400000000, -0.0010348700000000, -0.0002082700000000 ] - [ 0.0005316500000000, -0.0015721200000000, 0.0010171000000000 ] - [ 0.0000856100000000, -0.0010896400000000, 0.0001321700000000 ] - [ -0.0001575500000000, 0.0067044900000000, -0.0001519100000000 ] - [ -0.0002966800000000, -0.0005760400000000, -0.0000554200000000 ] - [ -0.0000883500000000, -0.0003766000000000, 0.0000322600000000 ] - [ 0.0001219900000000, -0.0003970200000000, -0.0002418400000000 ] - [ 0.0003211300000000, -0.0003002100000000, 0.0000015700000000 ] - [ -0.0003484300000000, -0.0003236200000000, 0.0001869900000000 ] - [ 0.0003727100000000, 0.0016952500000000, 0.0000252900000000 ] - [ 0.0002966300000000, -0.0005648900000000, 0.0000552300000000 ] - [ 0.0004785200000000, -0.0003791100000000, -0.0003663400000000 ] - [ 0.0000180100000000, -0.0009510600000000, 0.0004004100000000 ] - [ -0.0005031100000000, -0.0005450600000000, 0.0004109000000000 ] - [ -0.0000122400000000, -0.0009994700000000, -0.0003476900000000 ] - [ -0.0000572600000000, 0.0020575700000000, -0.0014462500000000 ] - [ 0.0001883800000000, -0.0010561700000000, 0.0002358200000000 ] - [ 0.0002322700000000, 0.0021377900000000, 0.0015076200000000 ] - [ -0.0001492700000000, -0.0009315200000000, -0.0001957300000000 ] - [ -0.0003236000000000, 0.0015736400000000, 0.0009325000000000 ] - [ 0.0000991900000000, -0.0011939100000000, -0.0003128400000000 ] - [ 0.0002372700000000, 0.0018281700000000, -0.0010735200000000 ] - [ -0.0001501300000000, -0.0009576500000000, 0.0002836100000000 ] - [ 0.0000398200000000, -0.0003591100000000, 0.0002932800000000 ] - [ -0.0000307500000000, -0.0003970000000000, 0.0003379200000000 ] - [ -0.0000334800000000, 0.0016997600000000, 0.0001283600000000 ] - [ -0.0000600400000000, -0.0006375100000000, 0.0001025700000000 ] - [ -0.0002248500000000, -0.0000633000000000, -0.0007699700000000 ] - [ -0.0001737200000000, -0.0007925200000000, 0.0002693400000000 ] - [ 0.0002880100000000, -0.0001563100000000, 0.0006221000000000 ] - [ 0.0002414300000000, -0.0009810100000000, -0.0004867700000000 ] - [ -0.0012692100000000, -0.0011869800000000, 0.0002619400000000 ] - [ -0.0001359800000000, -0.0009295300000000, 0.0000156400000000 ] - [ 0.0010709900000000, -0.0009475500000000, -0.0001923300000000 ] - [ 0.0002491000000000, -0.0009687300000000, 0.0000629900000000 ] - [ -0.0076104200000000, -0.0015536200000000, 0.0081751300000000 ] - [ -0.0004050600000000, -0.0010407400000000, -0.0001297800000000 ] - [ 0.0067395000000000, -0.0003154400000000, -0.0084230800000000 ] - [ 0.0002274900000000, -0.0009572500000000, 0.0001465900000000 ] - [ 0.0000075500000000, 0.0039905800000000, 0.0005586400000000 ] - [ -0.0001405800000000, -0.0006118900000000, 0.0000430800000000 ] - [ 0.0000704700000000, -0.0006686700000000, -0.0005408200000000 ] - [ 0.0002009300000000, -0.0006890000000000, 0.0006327600000000 ]- atom: 63 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0050599200000000, -0.0021005500000000, 0.0022984000000000 ] - [ -0.0001075500000000, 0.0000817400000000, 0.0002418400000000 ] - [ -0.0050756600000000, 0.0020753500000000, 0.0020181200000000 ] - [ -0.0000924500000000, -0.0000629700000000, 0.0002277100000000 ] - [ 0.0026285200000000, 0.0013357400000000, -0.0061777400000000 ] - [ 0.0001655200000000, -0.0000225800000000, -0.0003174600000000 ] - [ 0.0028583600000000, -0.0018655700000000, -0.0061112500000000 ] - [ 0.0001348600000000, 0.0000284400000000, -0.0002907400000000 ] - [ 0.0046077600000000, -0.0000569300000000, 0.0024927100000000 ] - [ -0.0001020000000000, 0.0000204100000000, -0.0000302100000000 ] - [ 0.0057367900000000, -0.0075494900000000, 0.0066724400000000 ] - [ -0.0000393900000000, 0.0004084900000000, 0.0001182100000000 ] - [ -0.0008402100000000, -0.0004061600000000, 0.0010817400000000 ] - [ -0.0011811800000000, 0.0007098700000000, 0.0011598200000000 ] - [ 0.0021223500000000, -0.0067310700000000, -0.0080716500000000 ] - [ -0.0000079200000000, 0.0001657100000000, -0.0000610700000000 ] - [ 0.0022302900000000, 0.0064578000000000, -0.0081177200000000 ] - [ -0.0000067700000000, -0.0004687800000000, -0.0000592500000000 ] - [ 0.0016022300000000, -0.0002608000000000, -0.0023735500000000 ] - [ -0.0000183400000000, 0.0000139300000000, -0.0001902300000000 ] - [ 0.0014741500000000, 0.0002788900000000, -0.0023534300000000 ] - [ -0.0000165600000000, -0.0000261700000000, -0.0001797400000000 ] - [ 0.0011622000000000, -0.0010013800000000, -0.0000907800000000 ] - [ 0.0014075500000000, 0.0013057600000000, -0.0002394300000000 ] - [ -0.0659068300000000, 0.0024556200000000, 0.1638433900000000 ] - [ 0.0000919900000000, 0.0000207200000000, 0.0000776400000000 ] - [ -0.0000371700000000, -0.0000484400000000, 0.0002079300000000 ] - [ -0.0000495600000000, -0.0000213500000000, 0.0001886400000000 ] - [ 0.0005374700000000, 0.0000555500000000, 0.0005422200000000 ] - [ 0.0005678100000000, -0.0000481500000000, 0.0006309700000000 ] - [ -0.0301823000000000, -0.0015043800000000, 0.2908217200000000 ] - [ 0.0000361700000000, 0.0000047900000000, 0.0004759500000000 ] - [ -0.0101822800000000, -0.0003257700000000, -0.0096587700000000 ] - [ -0.0003070700000000, 0.0001270700000000, 0.0000429200000000 ] - [ 0.0005817500000000, 0.0019081200000000, 0.0004784400000000 ] - [ 0.0006125900000000, -0.0018016400000000, 0.0004591300000000 ] - [ -0.0007506300000000, 0.0016631600000000, -0.0013934800000000 ] - [ -0.0007649400000000, -0.0015742000000000, -0.0015688100000000 ] - [ 0.0225922000000000, 0.0002938700000000, -0.0065329300000000 ] - [ 0.0003005900000000, 0.0001263100000000, -0.0000894300000000 ] - [ -0.0008880400000000, 0.0000674100000000, -0.0044381300000000 ] - [ -0.0000253200000000, 0.0000049600000000, -0.0004604300000000 ] - [ -0.0009818100000000, -0.0015526500000000, -0.0003651200000000 ] - [ -0.0009289200000000, 0.0014913600000000, -0.0004679700000000 ] - [ 0.0073665300000000, 0.0097054300000000, 0.0092982600000000 ] - [ -0.0000776100000000, -0.0001967400000000, 0.0001669500000000 ] - [ -0.0005899800000000, 0.0001752900000000, -0.0003127200000000 ] - [ -0.0006609700000000, -0.0001285000000000, -0.0003551000000000 ] - [ -0.0052817900000000, 0.0000585500000000, -0.0016533400000000 ] - [ 0.0000989400000000, -0.0000083900000000, -0.0000685400000000 ] - [ -0.0019947300000000, 0.0005577600000000, -0.0034274200000000 ] - [ -0.0000182100000000, -0.0000225000000000, -0.0001444600000000 ] - [ -0.0020750600000000, -0.0003694800000000, -0.0034575100000000 ] - [ 0.0001037000000000, 0.0000268800000000, -0.0000989100000000 ] - [ 0.0006840700000000, -0.0016857000000000, -0.0035409300000000 ] - [ -0.0000368600000000, 0.0001523100000000, -0.0001563700000000 ] - [ 0.0006027900000000, 0.0008785700000000, -0.0030302900000000 ] - [ 0.0000281000000000, -0.0002998000000000, -0.0002168400000000 ] - [ -0.0003214600000000, -0.0001304200000000, -0.0000118500000000 ] - [ -0.0001057500000000, -0.0001157400000000, 0.0000835700000000 ] - [ -0.0002853500000000, 0.0001775000000000, 0.0000819300000000 ] - [ -0.0000966900000000, 0.0001287300000000, 0.0000897200000000 ] - [ 0.1140068400000000, -0.0000651600000000, -0.5552451700000000 ] - [ 0.0000877400000000, -0.0000522500000000, -0.0002110300000000 ] - [ 0.0001665000000000, 0.0006505400000000, -0.0010418400000000 ] - [ 0.0001551900000000, -0.0005001700000000, -0.0009604700000000 ] - [ 0.0020166600000000, -0.0017535900000000, 0.0035918400000000 ] - [ 0.0000829500000000, -0.0001953900000000, 0.0000535000000000 ] - [ 0.0018417900000000, 0.0016907200000000, 0.0032484500000000 ] - [ 0.0000806600000000, 0.0000663700000000, 0.0000139500000000 ] - [ 0.0084457800000000, 0.0140238300000000, 0.0196101700000000 ] - [ 0.0000047800000000, -0.0001307100000000, -0.0000672900000000 ] - [ 0.0081604500000000, -0.0138708300000000, 0.0194089500000000 ] - [ 0.0000002100000000, 0.0001705000000000, -0.0001655400000000 ] - [ 0.0016362500000000, 0.0035775200000000, 0.0019614300000000 ] - [ 0.0001194600000000, -0.0005402000000000, 0.0000358100000000 ] - [ 0.0015040700000000, -0.0034272500000000, 0.0019011000000000 ] - [ 0.0000338100000000, 0.0005465200000000, 0.0000376600000000 ] - [ -0.0288672200000000, 0.0001235600000000, 0.0282506900000000 ] - [ -0.0003507100000000, -0.0000163600000000, -0.0000690500000000 ] - [ 0.0011054200000000, -0.0000087400000000, 0.0004123300000000 ] - [ 0.0011121700000000, -0.0000261700000000, 0.0003723400000000 ] - [ -0.0007028900000000, 0.0002697400000000, -0.0000902500000000 ] - [ -0.0006825900000000, -0.0002948300000000, -0.0000745300000000 ] - [ 0.0042175500000000, -0.0000058600000000, 0.0019682200000000 ] - [ 0.0003417900000000, -0.0000159100000000, 0.0000816600000000 ] - [ -0.0012415700000000, 0.0019031300000000, 0.0010720800000000 ] - [ -0.0000789000000000, -0.0005283700000000, 0.0001776100000000 ] - [ -0.0012348900000000, -0.0020145400000000, 0.0011071000000000 ] - [ 0.0000036100000000, 0.0005095100000000, 0.0001899400000000 ] - [ -0.0011878700000000, -0.0002054100000000, 0.0040667500000000 ] - [ -0.0000077700000000, -0.0001162000000000, 0.0000910100000000 ] - [ -0.0013811000000000, 0.0002809500000000, 0.0042662700000000 ] - [ -0.0000064300000000, 0.0001570700000000, 0.0001917100000000 ] - [ -0.0045578500000000, 0.0030685700000000, 0.0043580900000000 ] - [ -0.0000879200000000, -0.0001714200000000, 0.0000221900000000 ] - [ -0.0044704100000000, -0.0033960100000000, 0.0044626600000000 ] - [ -0.0000809300000000, 0.0000500100000000, 0.0000565500000000 ] - [ -0.0003894800000000, 0.0001431900000000, 0.0012375400000000 ] - [ -0.0003878700000000, -0.0001128200000000, 0.0011465600000000 ] - [ -0.0012848000000000, -0.0000428400000000, 0.0009840200000000 ] - [ -0.0000832900000000, -0.0000520300000000, 0.0001752100000000 ] - [ 0.0005851300000000, 0.0011372100000000, 0.0014213400000000 ] - [ 0.0000640000000000, -0.0002614100000000, 0.0000720300000000 ] - [ 0.0004878500000000, -0.0009406800000000, 0.0014764100000000 ] - [ 0.0000772100000000, 0.0003016500000000, 0.0000817400000000 ] - [ -0.0032171900000000, -0.0036557000000000, -0.0001450100000000 ] - [ 0.0001035000000000, 0.0004717300000000, -0.0000026000000000 ] - [ -0.0025486800000000, 0.0029356600000000, -0.0000190400000000 ] - [ 0.0000243700000000, -0.0005544300000000, 0.0000932300000000 ] - [ -0.0151073500000000, -0.0146580700000000, 0.0104756500000000 ] - [ -0.0000796100000000, 0.0000565000000000, 0.0000254300000000 ] - [ -0.0142051000000000, 0.0132044400000000, 0.0133449600000000 ] - [ 0.0000313500000000, -0.0000614300000000, 0.0000910900000000 ] - [ 0.0094775500000000, -0.0002927700000000, 0.0191315400000000 ] - [ -0.0000863300000000, -0.0000046800000000, 0.0000847400000000 ] - [ 0.0005292000000000, 0.0005080700000000, -0.0002548800000000 ] - [ 0.0005869500000000, -0.0004504800000000, -0.0001916200000000 ]- atom: 63 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0050116100000000, 0.0021376900000000, -0.0022024100000000 ] - [ 0.0000805200000000, -0.0000295800000000, -0.0001266500000000 ] - [ 0.0050298500000000, -0.0021076300000000, -0.0020076100000000 ] - [ 0.0000664500000000, 0.0000183100000000, -0.0001969200000000 ] - [ -0.0025836400000000, -0.0012757300000000, 0.0060459200000000 ] - [ -0.0001303700000000, 0.0000674800000000, 0.0001894600000000 ] - [ -0.0028319000000000, 0.0018092400000000, 0.0060914600000000 ] - [ -0.0001183700000000, -0.0000692700000000, 0.0002729500000000 ] - [ -0.0049823800000000, 0.0000792100000000, -0.0025776800000000 ] - [ -0.0002537800000000, 0.0000066000000000, -0.0000552300000000 ] - [ -0.0057453500000000, 0.0078929400000000, -0.0066070100000000 ] - [ 0.0000375900000000, -0.0000567200000000, -0.0001157900000000 ] - [ 0.0006759300000000, 0.0004416700000000, -0.0010976400000000 ] - [ 0.0010122300000000, -0.0007017700000000, -0.0011744900000000 ] - [ -0.0021025800000000, 0.0064275600000000, 0.0080525000000000 ] - [ 0.0000078300000000, -0.0004636300000000, 0.0000613600000000 ] - [ -0.0022109400000000, -0.0067379300000000, 0.0080976500000000 ] - [ 0.0000069600000000, 0.0001838100000000, 0.0000584100000000 ] - [ -0.0016129300000000, 0.0004516800000000, 0.0023625100000000 ] - [ 0.0000185200000000, 0.0001589200000000, 0.0001893500000000 ] - [ -0.0014852000000000, -0.0005062500000000, 0.0023425900000000 ] - [ 0.0000156500000000, -0.0001809400000000, 0.0001791900000000 ] - [ -0.0009922000000000, 0.0010195900000000, 0.0001134500000000 ] - [ -0.0012332900000000, -0.0012808800000000, 0.0002590600000000 ] - [ 0.0626887600000000, -0.0023331600000000, -0.1529576400000000 ] - [ 0.0002640400000000, 0.0000065700000000, 0.0000092500000000 ] - [ 0.0000376500000000, -0.0000043000000000, -0.0002056300000000 ] - [ 0.0000499300000000, -0.0000295100000000, -0.0001863700000000 ] - [ -0.0004925800000000, -0.0000382100000000, -0.0001418800000000 ] - [ -0.0005231900000000, 0.0000720300000000, -0.0002311300000000 ] - [ 0.0298776300000000, 0.0015808500000000, -0.3074913600000000 ] - [ -0.0000058500000000, -0.0000240700000000, 0.0002056000000000 ] - [ 0.0096849800000000, 0.0005708300000000, 0.0098236000000000 ] - [ -0.0001535400000000, 0.0001204600000000, 0.0001464800000000 ] - [ -0.0007628100000000, -0.0018640700000000, -0.0006756800000000 ] - [ -0.0007896900000000, 0.0018523300000000, -0.0006620000000000 ] - [ 0.0009352600000000, -0.0016143100000000, 0.0015810500000000 ] - [ 0.0009461800000000, 0.0016198100000000, 0.0017613500000000 ] - [ -0.0222284400000000, -0.0000473900000000, 0.0063266700000000 ] - [ 0.0001599000000000, 0.0001221300000000, -0.0001002500000000 ] - [ 0.0008651400000000, -0.0000880200000000, 0.0037651500000000 ] - [ -0.0000050100000000, -0.0000234500000000, -0.0002214300000000 ] - [ 0.0009288400000000, 0.0015618300000000, -0.0000296400000000 ] - [ 0.0008770000000000, -0.0014595600000000, 0.0000737300000000 ] - [ -0.0073707000000000, -0.0096572700000000, -0.0092087700000000 ] - [ 0.0000751900000000, 0.0002323300000000, -0.0001646900000000 ] - [ 0.0003054300000000, -0.0001014500000000, 0.0002938200000000 ] - [ 0.0003730600000000, 0.0002017600000000, 0.0003358500000000 ] - [ 0.0055876300000000, -0.0000675200000000, 0.0015968500000000 ] - [ 0.0001801500000000, -0.0000013500000000, -0.0000120900000000 ] - [ 0.0020470400000000, -0.0004822900000000, 0.0032633600000000 ] - [ 0.0000441000000000, 0.0001031500000000, -0.0000073500000000 ] - [ 0.0023477100000000, 0.0003184700000000, 0.0033988100000000 ] - [ 0.0001517700000000, -0.0000850900000000, 0.0000603700000000 ] - [ -0.0008826700000000, 0.0017142600000000, 0.0035119400000000 ] - [ -0.0001740400000000, -0.0001402900000000, 0.0001393300000000 ] - [ -0.0007445800000000, -0.0009409400000000, 0.0030281400000000 ] - [ -0.0001798900000000, 0.0002571100000000, 0.0002212800000000 ] - [ 0.0002459400000000, -0.0000484500000000, 0.0002098800000000 ] - [ 0.0000281700000000, -0.0000562600000000, 0.0001101100000000 ] - [ 0.0002387700000000, 0.0000248700000000, 0.0001581000000000 ] - [ 0.0000470600000000, 0.0000675000000000, 0.0001431400000000 ] - [ -0.1098643900000000, -0.0002030200000000, 0.5616327400000000 ] - [ 0.0000286300000000, -0.0000407600000000, -0.0000019900000000 ] - [ -0.0001985500000000, -0.0006177000000000, 0.0004185100000000 ] - [ -0.0001880700000000, 0.0005248400000000, 0.0003297600000000 ] - [ -0.0019558900000000, 0.0013762200000000, -0.0035145500000000 ] - [ -0.0000366400000000, -0.0001710000000000, 0.0000045200000000 ] - [ -0.0017902200000000, -0.0015562600000000, -0.0032449500000000 ] - [ -0.0000415600000000, 0.0000554200000000, -0.0000274600000000 ] - [ -0.0086019000000000, -0.0141151600000000, -0.0195481200000000 ] - [ -0.0000269900000000, 0.0000662700000000, 0.0001153300000000 ] - [ -0.0083390500000000, 0.0140817900000000, -0.0195306500000000 ] - [ -0.0000486400000000, 0.0000139100000000, 0.0000272700000000 ] - [ -0.0015530100000000, -0.0035466600000000, -0.0020024200000000 ] - [ -0.0000388800000000, 0.0005682900000000, -0.0000822100000000 ] - [ -0.0015784000000000, 0.0033575000000000, -0.0019837300000000 ] - [ -0.0001087800000000, -0.0006141100000000, -0.0001238800000000 ] - [ 0.0286072500000000, -0.0001528500000000, -0.0288519200000000 ] - [ -0.0002642000000000, -0.0000102300000000, -0.0000537800000000 ] - [ -0.0010611900000000, -0.0000243300000000, -0.0006122800000000 ] - [ -0.0010668100000000, -0.0000030500000000, -0.0005722500000000 ] - [ 0.0006598400000000, -0.0003023700000000, 0.0002925300000000 ] - [ 0.0006389400000000, 0.0002654300000000, 0.0002777200000000 ] - [ -0.0035862000000000, -0.0000194300000000, -0.0018422700000000 ] - [ 0.0002723900000000, -0.0000100800000000, 0.0000417000000000 ] - [ 0.0011541600000000, -0.0018791300000000, -0.0010195200000000 ] - [ -0.0000024400000000, 0.0005564600000000, -0.0001273900000000 ] - [ 0.0013062600000000, 0.0019509500000000, -0.0010146100000000 ] - [ 0.0000722600000000, -0.0005778300000000, -0.0001021200000000 ] - [ 0.0011989100000000, 0.0001378100000000, -0.0041094600000000 ] - [ 0.0000322000000000, 0.0000518800000000, -0.0001410700000000 ] - [ 0.0014159800000000, -0.0000912100000000, -0.0041196900000000 ] - [ 0.0000528900000000, 0.0000276400000000, -0.0000515800000000 ] - [ 0.0045363100000000, -0.0034608800000000, -0.0044231800000000 ] - [ 0.0000402800000000, -0.0001951500000000, -0.0000792500000000 ] - [ 0.0044585200000000, 0.0035455900000000, -0.0044561300000000 ] - [ 0.0000434300000000, 0.0000714900000000, -0.0000421400000000 ] - [ 0.0004163400000000, -0.0001151500000000, -0.0006083500000000 ] - [ 0.0004158700000000, 0.0001402400000000, -0.0005104500000000 ] - [ 0.0011653100000000, -0.0000491200000000, -0.0007782500000000 ] - [ -0.0000327000000000, -0.0000409900000000, 0.0000381300000000 ] - [ -0.0005268900000000, -0.0009243200000000, -0.0016565000000000 ] - [ -0.0000129300000000, 0.0004554100000000, -0.0003054800000000 ] - [ -0.0004026600000000, 0.0007521200000000, -0.0016679600000000 ] - [ 0.0000008800000000, -0.0004723200000000, -0.0002736100000000 ] - [ 0.0034137000000000, 0.0036543500000000, 0.0001496900000000 ] - [ 0.0001075000000000, -0.0004542300000000, 0.0000170000000000 ] - [ 0.0026905800000000, -0.0029679600000000, 0.0000062500000000 ] - [ 0.0001295900000000, 0.0005062900000000, -0.0000984100000000 ] - [ 0.0147123800000000, 0.0144405000000000, -0.0103438500000000 ] - [ -0.0001746200000000, -0.0001149300000000, 0.0000139200000000 ] - [ 0.0140491800000000, -0.0129776400000000, -0.0130892400000000 ] - [ -0.0000566800000000, 0.0001420900000000, 0.0000603100000000 ] - [ -0.0096767100000000, 0.0002786600000000, -0.0189070600000000 ] - [ -0.0001923800000000, -0.0000056000000000, -0.0000035900000000 ] - [ -0.0002461700000000, -0.0004361000000000, 0.0002685100000000 ] - [ -0.0003005800000000, 0.0005247200000000, 0.0002050900000000 ]- atom: 65 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0038211800000000, 0.0018374300000000, -0.0026337800000000 ] - [ -0.0000964000000000, -0.0000396700000000, -0.0000459500000000 ] - [ -0.0001075300000000, 0.0000574100000000, -0.0000927700000000 ] - [ -0.0036194600000000, -0.0020368800000000, -0.0031855500000000 ] - [ -0.0006238000000000, -0.0014486900000000, 0.0025429800000000 ] - [ 0.0000177900000000, 0.0000690600000000, 0.0000923700000000 ] - [ 0.0000094700000000, -0.0000587000000000, 0.0001606700000000 ] - [ -0.0005979300000000, 0.0013412800000000, 0.0024199900000000 ] - [ -0.0013863000000000, 0.0006041400000000, -0.0001830600000000 ] - [ -0.0012215000000000, -0.0004688900000000, -0.0000593900000000 ] - [ -0.0000616600000000, 0.0003341600000000, 0.0000435300000000 ] - [ -0.0039112000000000, -0.0037990100000000, 0.0049382300000000 ] - [ -0.0000075600000000, 0.0000227200000000, -0.0000055200000000 ] - [ 0.0964432300000000, 0.0065281000000000, -0.0653542700000000 ] - [ 0.0054782300000000, -0.0002668700000000, -0.0032544900000000 ] - [ 0.0001123500000000, -0.0001611600000000, -0.0001640100000000 ] - [ 0.0001250600000000, -0.0000947000000000, -0.0001840900000000 ] - [ 0.0051164300000000, 0.0003116700000000, -0.0025673200000000 ] - [ -0.0018892800000000, -0.0028009800000000, 0.0020621900000000 ] - [ -0.0001265600000000, 0.0002335700000000, 0.0000445800000000 ] - [ -0.0001409600000000, -0.0002524400000000, 0.0000537100000000 ] - [ -0.0016816100000000, 0.0026579100000000, 0.0019467600000000 ] - [ 0.0000250000000000, 0.0000177600000000, 0.0000145800000000 ] - [ -0.0037191600000000, -0.0001656100000000, -0.0022730700000000 ] - [ 0.0007215600000000, 0.0007797200000000, 0.0005777400000000 ] - [ 0.0006153500000000, -0.0006172300000000, 0.0005095500000000 ] - [ 0.0014694800000000, 0.0001196600000000, -0.0060087300000000 ] - [ 0.0000074000000000, -0.0000242700000000, -0.0000006600000000 ] - [ 0.0000031200000000, 0.0000252100000000, 0.0001554300000000 ] - [ -0.0179079400000000, 0.0003312900000000, -0.0067821400000000 ] - [ 0.0014290000000000, 0.0011158400000000, 0.0000810400000000 ] - [ 0.0012432900000000, -0.0009555600000000, 0.0000534700000000 ] - [ -0.0003365600000000, -0.0001257200000000, 0.0002552400000000 ] - [ -0.0002963700000000, 0.0004107000000000, 0.0002351100000000 ] - [ -0.0000387300000000, 0.0000395000000000, -0.0001422900000000 ] - [ 0.1070925600000000, -0.0064514000000000, -0.1233719300000000 ] - [ 0.0000725700000000, 0.0000424600000000, 0.0000798000000000 ] - [ -0.0005307400000000, -0.0004355100000000, -0.0047308000000000 ] - [ 0.0005336600000000, -0.0013480400000000, -0.0005962200000000 ] - [ 0.0004719500000000, 0.0015479500000000, -0.0006132800000000 ] - [ 0.0001723800000000, -0.0004622700000000, -0.0001363700000000 ] - [ 0.0001404200000000, 0.0004477500000000, -0.0001323200000000 ] - [ -0.0000385700000000, 0.0000281000000000, -0.0001419000000000 ] - [ -0.0021814600000000, 0.0000367900000000, 0.0033625200000000 ] - [ -0.0054173700000000, 0.0049940700000000, 0.0060482800000000 ] - [ -0.0000545500000000, -0.0001480800000000, 0.0000628700000000 ] - [ -0.0001168300000000, 0.0000328800000000, 0.0000156400000000 ] - [ 0.0062082300000000, -0.0000489300000000, 0.0028102600000000 ] - [ 0.0005886500000000, 0.0003625300000000, 0.0003395200000000 ] - [ 0.0005877300000000, -0.0002620300000000, 0.0003268500000000 ] - [ 0.0001555400000000, -0.0002216800000000, -0.0000439900000000 ] - [ 0.0024243000000000, 0.0021516300000000, 0.0002820600000000 ] - [ 0.0028365300000000, -0.0023756000000000, 0.0003541600000000 ] - [ 0.0002064500000000, 0.0002183200000000, -0.0000452000000000 ] - [ 0.0130551000000000, -0.0101609100000000, -0.0083334100000000 ] - [ -0.0001171700000000, 0.0000584400000000, -0.0000066500000000 ] - [ -0.0000862500000000, -0.0000951400000000, 0.0000065200000000 ] - [ 0.0140361100000000, 0.0106980100000000, -0.0080077500000000 ] - [ 0.0054094200000000, 0.0030108400000000, 0.0000339700000000 ] - [ 0.0000054700000000, -0.0001157300000000, 0.0001392100000000 ] - [ 0.0000307300000000, 0.0001078000000000, 0.0001629300000000 ] - [ 0.0054388100000000, -0.0030757100000000, 0.0000489400000000 ] - [ -0.0002852600000000, -0.0005125400000000, -0.0000911000000000 ] - [ -0.0002465000000000, 0.0003662100000000, -0.0000805400000000 ] - [ -0.2427724500000000, -0.0001678000000000, 0.2485619700000000 ] - [ -0.0000661000000000, 0.0000086600000000, -0.0002765700000000 ] - [ 0.0008566500000000, 0.0004029700000000, -0.0001355000000000 ] - [ 0.0000737100000000, -0.0002753300000000, 0.0000542000000000 ] - [ 0.0000794100000000, 0.0001472700000000, 0.0000078200000000 ] - [ 0.0007688300000000, -0.0005207500000000, -0.0001367500000000 ] - [ -0.0010113200000000, -0.0014596600000000, 0.0008629000000000 ] - [ -0.0001257400000000, 0.0002745400000000, 0.0001787200000000 ] - [ -0.0001565100000000, -0.0002857900000000, 0.0001068100000000 ] - [ -0.0010917500000000, 0.0012001500000000, 0.0007845500000000 ] - [ 0.0004660400000000, -0.0007435200000000, 0.0040164500000000 ] - [ 0.0000510700000000, 0.0000324700000000, 0.0000222600000000 ] - [ -0.0000241400000000, -0.0000763900000000, 0.0000123600000000 ] - [ -0.0001295200000000, 0.0006452000000000, 0.0030794000000000 ] - [ -0.0012285300000000, 0.0002377500000000, 0.0002422500000000 ] - [ -0.0011108200000000, -0.0002418400000000, 0.0002176600000000 ] - [ 0.0007932000000000, 0.0000488000000000, -0.0001910800000000 ] - [ 0.0000422300000000, -0.0000226100000000, -0.0001009400000000 ] - [ 0.0355394400000000, -0.0008298000000000, -0.0128909600000000 ] - [ -0.0000257700000000, -0.0000219700000000, 0.0001118800000000 ] - [ 0.0002463700000000, 0.0000663900000000, 0.0001048900000000 ] - [ 0.0002434600000000, -0.0001123400000000, 0.0000914300000000 ] - [ -0.0062745400000000, 0.0051347900000000, -0.0083233900000000 ] - [ -0.0000754300000000, -0.0000159100000000, 0.0000458000000000 ] - [ -0.0000056400000000, -0.0000268300000000, 0.0000610500000000 ] - [ -0.0062328800000000, -0.0053492000000000, -0.0073831000000000 ] - [ -0.0007480400000000, 0.0011895100000000, -0.0006482700000000 ] - [ -0.0000025600000000, -0.0002172000000000, -0.0000081400000000 ] - [ 0.0000017300000000, 0.0002804600000000, 0.0000892100000000 ] - [ -0.0006701900000000, -0.0010453100000000, -0.0005517000000000 ] - [ 0.0001174200000000, 0.0011953500000000, -0.0002920500000000 ] - [ 0.0000001600000000, -0.0005575100000000, -0.0000994000000000 ] - [ 0.0000000100000000, 0.0004601300000000, -0.0000772300000000 ] - [ 0.0000962800000000, -0.0012820200000000, -0.0002204200000000 ] - [ -0.0000191800000000, 0.0000808800000000, 0.0025804500000000 ] - [ 0.0000300600000000, 0.0000058300000000, 0.0003119200000000 ] - [ 0.0002089000000000, -0.0000148100000000, -0.0002039200000000 ] - [ 0.0001892200000000, -0.0000838100000000, -0.0002151800000000 ] - [ 0.0000242900000000, 0.0001200200000000, -0.0001897300000000 ] - [ 0.0009669800000000, -0.0000864300000000, -0.0021528600000000 ] - [ 0.0009642400000000, 0.0001095200000000, -0.0021840100000000 ] - [ 0.0000459600000000, -0.0001306000000000, -0.0001636000000000 ] - [ 0.0027727400000000, 0.0007898000000000, -0.0023864400000000 ] - [ 0.0001506300000000, 0.0000465500000000, -0.0000386500000000 ] - [ 0.0001226500000000, -0.0000688400000000, -0.0000444100000000 ] - [ 0.0023028900000000, -0.0005621000000000, -0.0022184400000000 ] - [ 0.0000150400000000, -0.0012513700000000, -0.0019492900000000 ] - [ -0.0000785100000000, 0.0001756900000000, -0.0000543500000000 ] - [ 0.0000323900000000, -0.0002175700000000, -0.0000614400000000 ] - [ 0.0000888800000000, 0.0009094300000000, -0.0015461300000000 ] - [ -0.0003492300000000, 0.0000488300000000, -0.0002999300000000 ] - [ -0.0003449400000000, -0.0000387500000000, -0.0002524800000000 ] - [ 0.0001164300000000, 0.0000315300000000, -0.0000266800000000 ] - [ -0.0064804600000000, 0.0001526100000000, -0.0072131000000000 ]- atom: 65 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0037987100000000, -0.0018153500000000, 0.0027755500000000 ] - [ 0.0000689500000000, 0.0000868000000000, 0.0001635600000000 ] - [ 0.0000792000000000, -0.0001017300000000, 0.0001242700000000 ] - [ 0.0035928600000000, 0.0020165700000000, 0.0032381600000000 ] - [ 0.0006800100000000, 0.0015099400000000, -0.0027054700000000 ] - [ 0.0000148600000000, -0.0000309900000000, -0.0002212600000000 ] - [ 0.0000087200000000, 0.0000188800000000, -0.0001811800000000 ] - [ 0.0006392600000000, -0.0013996200000000, -0.0024740800000000 ] - [ 0.0010324500000000, -0.0005841700000000, 0.0000929400000000 ] - [ 0.0008656700000000, 0.0005066300000000, -0.0000310900000000 ] - [ 0.0000612100000000, 0.0000159500000000, -0.0000440000000000 ] - [ 0.0039262700000000, 0.0041699500000000, -0.0049630600000000 ] - [ -0.0001604900000000, -0.0000001300000000, -0.0000156600000000 ] - [ -0.1005332600000000, -0.0068238200000000, 0.0698593100000000 ] - [ -0.0055505000000000, 0.0000049600000000, 0.0032484800000000 ] - [ -0.0001130000000000, -0.0001471400000000, 0.0001645500000000 ] - [ -0.0001257200000000, -0.0001815900000000, 0.0001846200000000 ] - [ -0.0051879300000000, -0.0006318500000000, 0.0025619100000000 ] - [ 0.0018939700000000, 0.0029447100000000, -0.0020431500000000 ] - [ 0.0001275000000000, -0.0000707200000000, -0.0000446000000000 ] - [ 0.0001418800000000, 0.0000516800000000, -0.0000536300000000 ] - [ 0.0016877800000000, -0.0028377000000000, -0.0019284000000000 ] - [ 0.0001439300000000, 0.0000045300000000, 0.0000068400000000 ] - [ 0.0038979900000000, 0.0001911000000000, 0.0022653900000000 ] - [ -0.0003643500000000, -0.0007565500000000, -0.0004898400000000 ] - [ -0.0002563000000000, 0.0006509700000000, -0.0004217000000000 ] - [ -0.0014408700000000, -0.0001730100000000, 0.0060123500000000 ] - [ -0.0000079200000000, -0.0000269100000000, 0.0000020100000000 ] - [ 0.0000398600000000, -0.0000020000000000, 0.0002440400000000 ] - [ 0.0178961800000000, -0.0003054100000000, 0.0071270500000000 ] - [ -0.0014009200000000, -0.0011338400000000, 0.0006063000000000 ] - [ -0.0012149900000000, 0.0009276700000000, 0.0006340000000000 ] - [ -0.0001289100000000, 0.0003675300000000, -0.0000672900000000 ] - [ -0.0001692600000000, -0.0001628400000000, -0.0000471600000000 ] - [ -0.0001410600000000, 0.0000102100000000, -0.0000489200000000 ] - [ -0.1061552100000000, 0.0062869400000000, 0.1187945600000000 ] - [ 0.0001072200000000, 0.0000072200000000, 0.0001120500000000 ] - [ 0.0006953500000000, 0.0004897300000000, 0.0049390500000000 ] - [ -0.0000662200000000, 0.0015974000000000, 0.0004139400000000 ] - [ -0.0000047900000000, -0.0013083300000000, 0.0004307900000000 ] - [ -0.0002101500000000, 0.0004492000000000, -0.0005528800000000 ] - [ -0.0001780700000000, -0.0004807800000000, -0.0005567100000000 ] - [ -0.0000036300000000, -0.0000049000000000, -0.0002581900000000 ] - [ 0.0021370900000000, -0.0000121700000000, -0.0037419400000000 ] - [ 0.0054443300000000, -0.0049976900000000, -0.0060870200000000 ] - [ 0.0000545000000000, 0.0001731400000000, -0.0000632800000000 ] - [ -0.0001565900000000, 0.0000397000000000, -0.0000349100000000 ] - [ -0.0064747400000000, 0.0001208200000000, -0.0028068000000000 ] - [ -0.0003142500000000, -0.0003630600000000, -0.0003835100000000 ] - [ -0.0003128700000000, 0.0002587800000000, -0.0003708700000000 ] - [ -0.0001375100000000, 0.0002888000000000, -0.0001138300000000 ] - [ -0.0024174800000000, -0.0021068400000000, -0.0004392600000000 ] - [ -0.0026049500000000, 0.0023582700000000, -0.0004027900000000 ] - [ 0.0000414300000000, -0.0002605500000000, -0.0000040500000000 ] - [ -0.0134001500000000, 0.0102950600000000, 0.0084065000000000 ] - [ -0.0000886600000000, -0.0000431600000000, -0.0000177300000000 ] - [ -0.0000593500000000, 0.0000386700000000, -0.0000138500000000 ] - [ -0.0143199900000000, -0.0108890700000000, 0.0080936600000000 ] - [ -0.0054639500000000, -0.0031557400000000, 0.0001573200000000 ] - [ -0.0000780300000000, -0.0000501100000000, 0.0000545600000000 ] - [ -0.0000721500000000, 0.0000770700000000, 0.0000754700000000 ] - [ -0.0054609900000000, 0.0032360800000000, 0.0001858100000000 ] - [ 0.0004292300000000, 0.0004279300000000, -0.0000984200000000 ] - [ 0.0003898800000000, -0.0004529000000000, -0.0001089300000000 ] - [ 0.2454513800000000, 0.0007540600000000, -0.2493178900000000 ] - [ 0.0000306400000000, 0.0000181500000000, -0.0003525000000000 ] - [ -0.0008072400000000, -0.0007568200000000, 0.0001914600000000 ] - [ -0.0000249900000000, -0.0000844600000000, 0.0000063900000000 ] - [ -0.0000361500000000, -0.0000264100000000, -0.0000156200000000 ] - [ -0.0007250400000000, 0.0006348200000000, 0.0001239900000000 ] - [ 0.0009994100000000, 0.0014001500000000, -0.0008154600000000 ] - [ 0.0001001300000000, -0.0003296700000000, -0.0001239400000000 ] - [ 0.0001010000000000, 0.0004683800000000, -0.0002379500000000 ] - [ 0.0010489600000000, -0.0010132600000000, -0.0009225200000000 ] - [ -0.0003752100000000, 0.0007847300000000, -0.0040885200000000 ] - [ 0.0000288400000000, 0.0000009800000000, -0.0000637300000000 ] - [ -0.0000534200000000, 0.0000007600000000, -0.0000931700000000 ] - [ 0.0000672700000000, -0.0007289300000000, -0.0031801300000000 ] - [ 0.0006202400000000, -0.0002637900000000, -0.0003484200000000 ] - [ 0.0005026300000000, 0.0002223800000000, -0.0003237400000000 ] - [ -0.0007489900000000, -0.0000828000000000, -0.0000117900000000 ] - [ -0.0000006700000000, -0.0000105000000000, -0.0000959500000000 ] - [ -0.0350217700000000, 0.0007810000000000, 0.0127483800000000 ] - [ -0.0000161200000000, -0.0000110700000000, 0.0000850200000000 ] - [ 0.0003666300000000, -0.0000897500000000, -0.0000006600000000 ] - [ 0.0003695600000000, 0.0000915900000000, 0.0000127800000000 ] - [ 0.0060857300000000, -0.0051862800000000, 0.0084951300000000 ] - [ -0.0000047400000000, 0.0000492300000000, -0.0000038900000000 ] - [ 0.0000844100000000, -0.0000488700000000, 0.0000186700000000 ] - [ 0.0062112800000000, 0.0053617700000000, 0.0075909500000000 ] - [ 0.0007853900000000, -0.0012656600000000, 0.0006052000000000 ] - [ 0.0000309400000000, 0.0001642300000000, -0.0000485800000000 ] - [ 0.0000539500000000, -0.0001002000000000, 0.0000428400000000 ] - [ 0.0007354100000000, 0.0012481200000000, 0.0006968500000000 ] - [ -0.0001784500000000, -0.0015589200000000, 0.0002277900000000 ] - [ -0.0000506500000000, 0.0001996800000000, 0.0000391300000000 ] - [ -0.0000434700000000, -0.0003409800000000, 0.0000837300000000 ] - [ -0.0001506400000000, 0.0014061000000000, 0.0002236600000000 ] - [ 0.0000481000000000, -0.0000558600000000, -0.0019516700000000 ] - [ 0.0000056500000000, 0.0000205900000000, 0.0003164800000000 ] - [ -0.0003516100000000, -0.0000710700000000, 0.0003967600000000 ] - [ -0.0003312700000000, -0.0000020000000000, 0.0004080000000000 ] - [ 0.0000178200000000, 0.0000649500000000, -0.0000498700000000 ] - [ -0.0009311500000000, 0.0002691600000000, 0.0019038900000000 ] - [ -0.0008978600000000, -0.0002763600000000, 0.0019809300000000 ] - [ 0.0000254500000000, -0.0000354500000000, -0.0000290900000000 ] - [ -0.0025826500000000, -0.0007775500000000, 0.0024412800000000 ] - [ 0.0000544600000000, -0.0000315200000000, 0.0000630600000000 ] - [ 0.0000242200000000, 0.0000121100000000, 0.0000517000000000 ] - [ -0.0021639100000000, 0.0005032300000000, 0.0022529500000000 ] - [ -0.0002629900000000, 0.0012234900000000, 0.0020159100000000 ] - [ -0.0001694100000000, -0.0002173100000000, 0.0001041400000000 ] - [ -0.0000505800000000, 0.0002837300000000, 0.0002198100000000 ] - [ -0.0001080000000000, -0.0008532200000000, 0.0017157700000000 ] - [ 0.0000717600000000, -0.0000499400000000, 0.0003406500000000 ] - [ 0.0000669600000000, 0.0000353000000000, 0.0002929000000000 ] - [ 0.0001569100000000, 0.0000404400000000, 0.0000463500000000 ] - [ 0.0068208000000000, -0.0000827000000000, 0.0071929800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021625600000000, 0.0002519800000000, 0.0010039300000000 ] - [ -0.0001882300000000, -0.0008477300000000, 0.0000306000000000 ] - [ 0.0001819800000000, -0.0009197100000000, 0.0000402200000000 ] - [ -0.0018623500000000, -0.0001726200000000, -0.0012155400000000 ] - [ -0.0018493500000000, -0.0007068200000000, 0.0015951200000000 ] - [ 0.0000897000000000, -0.0008236200000000, -0.0000957200000000 ] - [ -0.0000470400000000, -0.0008756700000000, 0.0000284000000000 ] - [ 0.0019285600000000, -0.0008748200000000, -0.0020087000000000 ] - [ -0.0001902800000000, -0.0007289600000000, -0.0000660400000000 ] - [ -0.0001672700000000, -0.0008259500000000, -0.0000003900000000 ] - [ 0.0000723800000000, -0.0009614800000000, -0.0000440000000000 ] - [ -0.0012671300000000, -0.0011438400000000, 0.0020322800000000 ] - [ -0.0000753500000000, -0.0011670000000000, -0.0000220800000000 ] - [ 0.0063154200000000, 0.0168835400000000, -0.0049027500000000 ] - [ 0.0043358900000000, -0.0037104800000000, 0.0049575700000000 ] - [ -0.0000122900000000, -0.0016572100000000, -0.0001805100000000 ] - [ -0.0000016300000000, -0.0016823000000000, 0.0002474200000000 ] - [ -0.0046522100000000, -0.0037505000000000, -0.0037315900000000 ] - [ -0.0005840200000000, 0.0016331900000000, -0.0000031800000000 ] - [ 0.0000948700000000, -0.0012008700000000, -0.0000228400000000 ] - [ -0.0001002200000000, -0.0013705600000000, 0.0000214900000000 ] - [ 0.0006556800000000, 0.0011547200000000, -0.0001107300000000 ] - [ 0.0000718700000000, -0.0010955000000000, 0.0000184100000000 ] - [ 0.0000396700000000, 0.0033988900000000, 0.0001879800000000 ] - [ 0.0003714500000000, -0.0008418500000000, -0.0007317000000000 ] - [ 0.0000412600000000, -0.0009192100000000, 0.0006593800000000 ] - [ -0.0002162100000000, 0.0024137500000000, -0.0002305000000000 ] - [ -0.0000013500000000, -0.0001376600000000, 0.0000005100000000 ] - [ 0.0000287300000000, -0.0012909600000000, 0.0001960200000000 ] - [ 0.0001428800000000, 0.0024296000000000, 0.0003141300000000 ] - [ -0.0002046800000000, -0.0033454400000000, -0.0000266400000000 ] - [ 0.0001822900000000, -0.0029316500000000, 0.0006807300000000 ] - [ 0.0000721500000000, -0.0004195600000000, -0.0001498200000000 ] - [ -0.0005089000000000, -0.0004785900000000, 0.0002976500000000 ] - [ -0.0000961200000000, -0.0014355000000000, -0.0000980800000000 ] - [ -0.0064675700000000, 0.0358339100000000, 0.0101286100000000 ] - [ 0.0000938300000000, -0.0013815800000000, 0.0000994700000000 ] - [ 0.0001471700000000, 0.0059855800000000, 0.0002432900000000 ] - [ -0.0008932800000000, -0.0011349300000000, 0.0003677800000000 ] - [ 0.0011084100000000, -0.0012243700000000, -0.0003979500000000 ] - [ 0.0003634500000000, -0.0014202800000000, 0.0001306400000000 ] - [ -0.0004271600000000, -0.0015102600000000, -0.0007963400000000 ] - [ -0.0000280600000000, -0.0012805700000000, -0.0001995400000000 ] - [ 0.0000154900000000, 0.0022174400000000, -0.0000330400000000 ] - [ 0.0017412700000000, -0.0013065800000000, -0.0023153000000000 ] - [ -0.0000544300000000, -0.0013416300000000, 0.0000400400000000 ] - [ -0.0001437000000000, 0.0004079600000000, -0.0000045200000000 ] - [ -0.0001079800000000, -0.0011304400000000, -0.0000767500000000 ] - [ 0.0004549600000000, 0.0003417500000000, -0.0000145200000000 ] - [ -0.0000860100000000, 0.0004169600000000, -0.0000737900000000 ] - [ 0.0001330700000000, 0.0007959500000000, -0.0000316900000000 ] - [ 0.0008789700000000, 0.0009750900000000, -0.0000584800000000 ] - [ -0.0007791700000000, 0.0008138400000000, -0.0000257500000000 ] - [ -0.0000737100000000, 0.0007651200000000, -0.0001179900000000 ] - [ -0.0077000300000000, 0.0008809500000000, 0.0042515900000000 ] - [ -0.0003602600000000, 0.0008851000000000, 0.0000291700000000 ] - [ 0.0001154300000000, 0.0008448600000000, 0.0000282700000000 ] - [ 0.0085145400000000, 0.0007179100000000, -0.0041490100000000 ] - [ -0.0008977500000000, -0.0016533000000000, 0.0002538500000000 ] - [ 0.0001090000000000, 0.0007633700000000, -0.0001101900000000 ] - [ -0.0001728300000000, 0.0009468500000000, 0.0003253900000000 ] - [ 0.0007821800000000, -0.0012795500000000, 0.0000547300000000 ] - [ -0.0001536400000000, 0.0008593600000000, 0.0005057800000000 ] - [ 0.0002154100000000, 0.0007671500000000, -0.0006036600000000 ] - [ -0.0003551500000000, -0.0419309000000000, -0.0054388900000000 ] - [ -0.0000177000000000, 0.0005092100000000, -0.0003199300000000 ] - [ -0.0002670700000000, -0.0004033600000000, -0.0000530600000000 ] - [ 0.0001547500000000, 0.0004973900000000, -0.0001514300000000 ] - [ -0.0001194800000000, 0.0007235700000000, 0.0001670300000000 ] - [ 0.0002118400000000, -0.0000315700000000, 0.0001222900000000 ] - [ -0.0010916000000000, 0.0023149700000000, -0.0003993500000000 ] - [ 0.0002314400000000, 0.0012933400000000, 0.0003604500000000 ] - [ -0.0002767700000000, 0.0015501300000000, -0.0004488500000000 ] - [ 0.0007841300000000, 0.0020143100000000, 0.0001366200000000 ] - [ -0.0022977100000000, -0.0024159300000000, -0.0022660700000000 ] - [ 0.0002152800000000, 0.0009960500000000, 0.0002598200000000 ] - [ -0.0002321100000000, 0.0009677200000000, -0.0003372300000000 ] - [ 0.0020446400000000, -0.0023327400000000, 0.0018166600000000 ] - [ 0.0003477900000000, 0.0009286100000000, -0.0003241200000000 ] - [ -0.0008085000000000, 0.0008354300000000, 0.0001187500000000 ] - [ -0.0000892300000000, -0.0013025800000000, -0.0001835200000000 ] - [ 0.0000203400000000, 0.0004536900000000, -0.0000979700000000 ] - [ -0.0003664700000000, -0.0070565800000000, 0.0002903500000000 ] - [ -0.0000195900000000, 0.0004676100000000, 0.0000987400000000 ] - [ -0.0001056900000000, 0.0003457600000000, 0.0000187900000000 ] - [ 0.0007226500000000, 0.0003706400000000, 0.0000773100000000 ] - [ 0.0052798900000000, 0.0007443800000000, -0.0178950700000000 ] - [ -0.0001965600000000, 0.0009966000000000, -0.0002048000000000 ] - [ 0.0002152800000000, 0.0009668100000000, 0.0002595800000000 ] - [ -0.0051025300000000, 0.0023160400000000, 0.0175984300000000 ] - [ -0.0005830000000000, 0.0015024900000000, -0.0011377400000000 ] - [ -0.0000983700000000, 0.0009334300000000, -0.0001454600000000 ] - [ 0.0001302000000000, 0.0010275800000000, 0.0001564400000000 ] - [ 0.0007312200000000, 0.0017991000000000, 0.0012555300000000 ] - [ 0.0008689500000000, 0.0000310300000000, -0.0001129000000000 ] - [ -0.0002847700000000, 0.0007282000000000, 0.0002810200000000 ] - [ 0.0002842400000000, 0.0009635400000000, -0.0003124600000000 ] - [ -0.0008988800000000, 0.0004891300000000, 0.0000047100000000 ] - [ -0.0000577900000000, -0.0014863000000000, 0.0001393900000000 ] - [ 0.0000207600000000, 0.0004705300000000, 0.0003181400000000 ] - [ -0.0000974000000000, 0.0003262900000000, -0.0000640900000000 ] - [ -0.0000074200000000, 0.0003644400000000, 0.0002801100000000 ] - [ 0.0001975100000000, 0.0009608500000000, -0.0003430900000000 ] - [ -0.0009430500000000, -0.0014335200000000, 0.0004846500000000 ] - [ 0.0010293600000000, -0.0017089100000000, -0.0006750200000000 ] - [ -0.0001342900000000, 0.0007760500000000, 0.0001288800000000 ] - [ -0.0011178200000000, -0.0014675200000000, 0.0003012700000000 ] - [ 0.0003845800000000, 0.0008499900000000, -0.0000543900000000 ] - [ -0.0001502900000000, 0.0007960900000000, 0.0000008500000000 ] - [ 0.0010740000000000, -0.0014861600000000, -0.0000172500000000 ] - [ -0.0002131900000000, 0.0002559700000000, 0.0004992600000000 ] - [ 0.0001450200000000, 0.0007498700000000, 0.0000185100000000 ] - [ -0.0002528200000000, 0.0007972400000000, 0.0001679500000000 ] - [ -0.0000474100000000, 0.0003904800000000, -0.0003017100000000 ] - [ -0.0000702300000000, 0.0002198800000000, 0.0002917100000000 ] - [ -0.0001981200000000, 0.0002786300000000, -0.0001566000000000 ] - [ 0.0001445800000000, 0.0004174600000000, 0.0000079300000000 ] - [ 0.0001722500000000, -0.0037697000000000, -0.0003412500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021783800000000, -0.0001875000000000, -0.0008871400000000 ] - [ 0.0001663500000000, 0.0009014700000000, 0.0000830400000000 ] - [ -0.0002064300000000, 0.0008629800000000, -0.0000135700000000 ] - [ 0.0018462000000000, 0.0001098300000000, 0.0012465100000000 ] - [ 0.0018876500000000, 0.0007672900000000, -0.0017325700000000 ] - [ -0.0000589200000000, 0.0008721900000000, -0.0000314100000000 ] - [ 0.0000642800000000, 0.0008219900000000, -0.0000414800000000 ] - [ -0.0019121200000000, 0.0008159900000000, 0.0019852700000000 ] - [ -0.0001739300000000, 0.0007674900000000, -0.0000108700000000 ] - [ -0.0001967400000000, 0.0008586900000000, -0.0000757800000000 ] - [ -0.0000716500000000, 0.0012899800000000, 0.0000435800000000 ] - [ 0.0012652000000000, 0.0014667400000000, -0.0020282700000000 ] - [ -0.0000986600000000, 0.0011811000000000, 0.0000032200000000 ] - [ -0.0058726200000000, -0.0167438200000000, 0.0044191000000000 ] - [ -0.0043397100000000, 0.0034461500000000, -0.0049062500000000 ] - [ 0.0000117200000000, 0.0013878900000000, 0.0001831000000000 ] - [ 0.0000014500000000, 0.0013675000000000, -0.0002447000000000 ] - [ 0.0046527600000000, 0.0034372900000000, 0.0037662800000000 ] - [ 0.0005854400000000, -0.0014214000000000, 0.0000004800000000 ] - [ -0.0000946300000000, 0.0013990900000000, 0.0000226500000000 ] - [ 0.0001001300000000, 0.0011380100000000, -0.0000216700000000 ] - [ -0.0006555100000000, -0.0013993800000000, 0.0001082500000000 ] - [ 0.0001024200000000, 0.0011094000000000, 0.0000011000000000 ] - [ 0.0001463700000000, -0.0033846800000000, -0.0001709300000000 ] - [ -0.0000048100000000, 0.0008787900000000, 0.0008019700000000 ] - [ 0.0003246500000000, 0.0009534100000000, -0.0005879100000000 ] - [ 0.0001796400000000, -0.0024619900000000, 0.0001933200000000 ] - [ 0.0000003900000000, 0.0000870800000000, 0.0000005500000000 ] - [ 0.0000231400000000, 0.0013003300000000, 0.0002163100000000 ] - [ -0.0000494500000000, -0.0024189700000000, 0.0001311700000000 ] - [ 0.0002468300000000, 0.0033185400000000, 0.0007373000000000 ] - [ -0.0001391100000000, 0.0029343600000000, 0.0000303400000000 ] - [ -0.0005280300000000, 0.0006785600000000, 0.0003080700000000 ] - [ 0.0000532400000000, 0.0007302800000000, -0.0001394300000000 ] - [ -0.0000951700000000, 0.0014737200000000, -0.0000862500000000 ] - [ 0.0055615700000000, -0.0356082900000000, -0.0090575400000000 ] - [ 0.0000983600000000, 0.0014200200000000, 0.0000850300000000 ] - [ 0.0000417800000000, -0.0059483000000000, -0.0000503700000000 ] - [ 0.0013409900000000, 0.0013922700000000, -0.0005206300000000 ] - [ -0.0006590700000000, 0.0014787700000000, 0.0002429100000000 ] - [ -0.0004078600000000, 0.0014149100000000, -0.0008419300000000 ] - [ 0.0003835200000000, 0.0014981200000000, 0.0000852900000000 ] - [ -0.0000241700000000, 0.0012899300000000, -0.0002139400000000 ] - [ -0.0000689700000000, -0.0022062000000000, -0.0003647400000000 ] - [ -0.0017425500000000, 0.0013770800000000, 0.0023181200000000 ] - [ 0.0000552900000000, 0.0014042400000000, -0.0000406300000000 ] - [ -0.0001311600000000, -0.0003366500000000, -0.0000310900000000 ] - [ -0.0001731000000000, 0.0012021000000000, 0.0000349500000000 ] - [ -0.0001758000000000, -0.0003538600000000, -0.0000783000000000 ] - [ 0.0003651600000000, -0.0004279500000000, -0.0000170200000000 ] - [ -0.0001077900000000, -0.0007119000000000, -0.0001211900000000 ] - [ -0.0008513700000000, -0.0008862800000000, -0.0000957600000000 ] - [ 0.0010348300000000, -0.0008789800000000, -0.0000155100000000 ] - [ 0.0003262400000000, -0.0008229600000000, 0.0000771600000000 ] - [ 0.0074505000000000, -0.0008725800000000, -0.0042543900000000 ] - [ 0.0001516900000000, -0.0008677000000000, -0.0000445000000000 ] - [ -0.0002645800000000, -0.0008882500000000, -0.0000258500000000 ] - [ -0.0087174000000000, -0.0007486500000000, 0.0041627100000000 ] - [ 0.0008065800000000, 0.0014709000000000, -0.0000590800000000 ] - [ -0.0001894900000000, -0.0009354000000000, 0.0003069800000000 ] - [ 0.0001241500000000, -0.0007515500000000, -0.0000849400000000 ] - [ -0.0008413400000000, 0.0014844000000000, 0.0001839400000000 ] - [ 0.0002599000000000, -0.0009508600000000, -0.0007244700000000 ] - [ -0.0001079100000000, -0.0008657200000000, 0.0003842000000000 ] - [ 0.0005461200000000, 0.0416535800000000, 0.0042493800000000 ] - [ -0.0000090400000000, -0.0004809400000000, -0.0003079300000000 ] - [ 0.0003095600000000, 0.0000275400000000, 0.0001141500000000 ] - [ -0.0001099600000000, -0.0008663200000000, 0.0002108100000000 ] - [ 0.0001589500000000, -0.0005978800000000, -0.0001782700000000 ] - [ -0.0001737800000000, 0.0001627000000000, -0.0001318600000000 ] - [ 0.0010581100000000, -0.0023678100000000, 0.0004326200000000 ] - [ -0.0002533000000000, -0.0013650900000000, -0.0003185100000000 ] - [ 0.0002233300000000, -0.0013541400000000, 0.0003079400000000 ] - [ -0.0008444600000000, -0.0018319000000000, -0.0002814700000000 ] - [ 0.0023743900000000, 0.0024310200000000, 0.0022099500000000 ] - [ -0.0001349100000000, -0.0009713600000000, -0.0003107000000000 ] - [ 0.0001511400000000, -0.0010316200000000, 0.0002484900000000 ] - [ -0.0021287800000000, 0.0022757700000000, -0.0019091400000000 ] - [ -0.0009552400000000, -0.0009515300000000, 0.0001985400000000 ] - [ 0.0002001400000000, -0.0008643000000000, -0.0002425700000000 ] - [ 0.0001290900000000, 0.0012712800000000, -0.0000219800000000 ] - [ 0.0000234200000000, -0.0004851900000000, -0.0001048500000000 ] - [ 0.0002569100000000, 0.0070330100000000, -0.0000756100000000 ] - [ -0.0000242000000000, -0.0004989500000000, 0.0001044200000000 ] - [ 0.0007184500000000, -0.0003727200000000, 0.0001023400000000 ] - [ -0.0001111500000000, -0.0003952600000000, 0.0000432100000000 ] - [ -0.0053343400000000, -0.0007427400000000, 0.0178221500000000 ] - [ 0.0001156700000000, -0.0009724700000000, 0.0002559300000000 ] - [ -0.0001332600000000, -0.0010309100000000, -0.0001727500000000 ] - [ 0.0052221000000000, -0.0023861200000000, -0.0176727900000000 ] - [ 0.0006095800000000, -0.0015797300000000, 0.0010957100000000 ] - [ 0.0001208200000000, -0.0010003700000000, 0.0000993000000000 ] - [ -0.0000787500000000, -0.0008382700000000, -0.0000172000000000 ] - [ -0.0006781500000000, -0.0016034400000000, -0.0011146400000000 ] - [ -0.0009130400000000, -0.0004090200000000, 0.0000499000000000 ] - [ 0.0002402800000000, -0.0010975200000000, -0.0003404400000000 ] - [ -0.0003219700000000, -0.0008367900000000, 0.0003213600000000 ] - [ 0.0008620600000000, -0.0003567200000000, 0.0000028100000000 ] - [ 0.0000780900000000, 0.0015157400000000, 0.0004795100000000 ] - [ 0.0000066000000000, -0.0004422900000000, 0.0003100700000000 ] - [ -0.0000109900000000, -0.0004230300000000, 0.0002886900000000 ] - [ -0.0001017700000000, -0.0004593500000000, -0.0000572600000000 ] - [ -0.0001479300000000, -0.0007653300000000, 0.0001015600000000 ] - [ 0.0009927900000000, 0.0016338400000000, -0.0007249700000000 ] - [ -0.0009492900000000, 0.0015310900000000, 0.0004816200000000 ] - [ 0.0002142900000000, -0.0009489000000000, -0.0003244700000000 ] - [ 0.0013240600000000, 0.0014821600000000, -0.0002855500000000 ] - [ -0.0001778100000000, -0.0008330900000000, 0.0000691100000000 ] - [ 0.0002998100000000, -0.0008397000000000, -0.0000026000000000 ] - [ -0.0009246200000000, 0.0014451000000000, 0.0000143700000000 ] - [ -0.0000431600000000, -0.0003213100000000, -0.0004572000000000 ] - [ -0.0003989400000000, -0.0008095100000000, 0.0000233300000000 ] - [ 0.0002259900000000, -0.0007127400000000, -0.0000134300000000 ] - [ 0.0000191500000000, -0.0003020200000000, 0.0004560300000000 ] - [ -0.0002061300000000, -0.0002320500000000, -0.0001979100000000 ] - [ -0.0000782900000000, -0.0002897100000000, 0.0002493000000000 ] - [ 0.0001302900000000, -0.0003466300000000, 0.0000281700000000 ] - [ 0.0001120100000000, 0.0038429200000000, 0.0003505400000000 ]- atom: 65 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0018388400000000, -0.0014001600000000, 0.0042224000000000 ] - [ -0.0000336400000000, 0.0000901800000000, 0.0002114300000000 ] - [ -0.0000394100000000, -0.0000905100000000, 0.0001822300000000 ] - [ 0.0018721000000000, 0.0017542100000000, 0.0044033900000000 ] - [ 0.0043083000000000, 0.0032648100000000, -0.0065144900000000 ] - [ 0.0001379700000000, -0.0000635100000000, -0.0003087700000000 ] - [ 0.0001487100000000, 0.0000647500000000, -0.0002737600000000 ] - [ 0.0040052500000000, -0.0028973100000000, -0.0061997200000000 ] - [ 0.0011104900000000, -0.0011344500000000, -0.0000450000000000 ] - [ 0.0009148700000000, 0.0009813300000000, -0.0001416600000000 ] - [ 0.0000935800000000, -0.0000972800000000, -0.0000480600000000 ] - [ 0.0044464300000000, 0.0048670000000000, -0.0051859000000000 ] - [ -0.0001813700000000, 0.0000091200000000, 0.0000236600000000 ] - [ -0.1195412200000000, -0.0085424800000000, 0.1045787200000000 ] - [ -0.0108540400000000, 0.0078801500000000, 0.0010668400000000 ] - [ -0.0001545700000000, -0.0003126500000000, 0.0002020000000000 ] - [ -0.0001635200000000, 0.0000279300000000, 0.0002244000000000 ] - [ -0.0104568600000000, -0.0076204900000000, 0.0008548500000000 ] - [ 0.0023198000000000, 0.0010479200000000, -0.0026116300000000 ] - [ 0.0001997000000000, -0.0000258600000000, -0.0000724000000000 ] - [ 0.0002086100000000, 0.0000206200000000, -0.0000789000000000 ] - [ 0.0021442400000000, -0.0009346600000000, -0.0025503200000000 ] - [ 0.0001591900000000, 0.0000154300000000, -0.0000299300000000 ] - [ 0.0009366800000000, 0.0001383500000000, -0.0022128800000000 ] - [ -0.0001615900000000, -0.0014646400000000, -0.0005185700000000 ] - [ -0.0000621000000000, 0.0012861000000000, -0.0004165500000000 ] - [ -0.0057868300000000, 0.0001508500000000, -0.0032746800000000 ] - [ -0.0000109600000000, -0.0000279700000000, 0.0000033400000000 ] - [ 0.0000787600000000, 0.0000027800000000, 0.0002545400000000 ] - [ 0.0167569400000000, -0.0003218100000000, 0.0123910500000000 ] - [ -0.0007879500000000, -0.0001704200000000, 0.0021443800000000 ] - [ -0.0007438200000000, 0.0000960300000000, 0.0019710200000000 ] - [ -0.0007883200000000, 0.0001340800000000, -0.0004190900000000 ] - [ -0.0007256500000000, 0.0001304200000000, -0.0003148400000000 ] - [ -0.0000980900000000, 0.0000260800000000, 0.0000290900000000 ] - [ -0.1447193700000000, 0.0110446000000000, 0.2402961700000000 ] - [ 0.0000497600000000, 0.0000248100000000, 0.0000545800000000 ] - [ -0.0050163800000000, -0.0000013900000000, -0.0030516800000000 ] - [ 0.0004313100000000, 0.0019445400000000, 0.0010532700000000 ] - [ 0.0004127200000000, -0.0016611300000000, 0.0009719000000000 ] - [ -0.0010975500000000, 0.0017472900000000, -0.0017437800000000 ] - [ -0.0009891900000000, -0.0016378000000000, -0.0016252800000000 ] - [ -0.0000277100000000, 0.0000006400000000, -0.0002716200000000 ] - [ 0.0029381900000000, -0.0001776900000000, -0.0170338800000000 ] - [ 0.0062837000000000, -0.0060311200000000, -0.0068033500000000 ] - [ 0.0000930400000000, 0.0003163300000000, -0.0000598900000000 ] - [ -0.0001722600000000, 0.0000386200000000, -0.0000285500000000 ] - [ 0.0001941400000000, 0.0000323300000000, -0.0041437300000000 ] - [ -0.0004858200000000, -0.0001626700000000, -0.0007484900000000 ] - [ -0.0004617500000000, 0.0001220800000000, -0.0006738100000000 ] - [ -0.0001145200000000, 0.0004252200000000, -0.0001250200000000 ] - [ -0.0023088600000000, -0.0025532500000000, -0.0004669600000000 ] - [ -0.0027231900000000, 0.0029921700000000, -0.0004521700000000 ] - [ 0.0000555800000000, -0.0003816700000000, -0.0000024000000000 ] - [ -0.0154363500000000, 0.0109555100000000, 0.0051239300000000 ] - [ -0.0000643900000000, -0.0000797500000000, -0.0000571600000000 ] - [ -0.0000365700000000, 0.0000564500000000, -0.0000548700000000 ] - [ -0.0154992800000000, -0.0107190700000000, 0.0032727500000000 ] - [ -0.0048793700000000, -0.0021710600000000, -0.0007882300000000 ] - [ -0.0000913800000000, -0.0000726500000000, 0.0000516600000000 ] - [ -0.0000844100000000, 0.0000915600000000, 0.0000677200000000 ] - [ -0.0049493900000000, 0.0022793400000000, -0.0007219300000000 ] - [ 0.0002763600000000, 0.0006642700000000, -0.0008119300000000 ] - [ 0.0002561600000000, -0.0006499200000000, -0.0007301600000000 ] - [ 0.3364688200000000, -0.0032272400000000, -0.4303603600000000 ] - [ 0.0000404600000000, 0.0000149900000000, -0.0004072800000000 ] - [ -0.0002192200000000, -0.0004652100000000, 0.0002706200000000 ] - [ 0.0000519700000000, -0.0001728500000000, 0.0000635800000000 ] - [ 0.0000605200000000, 0.0000450200000000, 0.0000469300000000 ] - [ -0.0002167500000000, 0.0002754400000000, 0.0002080200000000 ] - [ 0.0015621700000000, -0.0004208200000000, -0.0021003500000000 ] - [ 0.0001193200000000, -0.0000559900000000, -0.0002394700000000 ] - [ 0.0001096200000000, 0.0001292800000000, -0.0003650000000000 ] - [ 0.0016128400000000, 0.0004887600000000, -0.0020720400000000 ] - [ 0.0036898000000000, 0.0003584700000000, -0.0005633200000000 ] - [ 0.0000794800000000, 0.0000369400000000, -0.0000556800000000 ] - [ 0.0000057600000000, -0.0000593600000000, -0.0000807100000000 ] - [ 0.0034566200000000, -0.0003887000000000, -0.0004748100000000 ] - [ 0.0002585800000000, -0.0005202400000000, -0.0006922100000000 ] - [ 0.0002116700000000, 0.0004545700000000, -0.0006201000000000 ] - [ 0.0030146500000000, 0.0000496100000000, 0.0042178300000000 ] - [ 0.0000469300000000, -0.0000144800000000, -0.0000780500000000 ] - [ -0.0354472000000000, 0.0007814000000000, 0.0041753500000000 ] - [ -0.0000691300000000, -0.0000140200000000, 0.0000636100000000 ] - [ 0.0011155000000000, -0.0002846600000000, 0.0001311500000000 ] - [ 0.0010524200000000, 0.0002470900000000, 0.0001148500000000 ] - [ -0.0035528300000000, -0.0166828500000000, 0.0260511200000000 ] - [ -0.0000414600000000, 0.0001037100000000, -0.0000282900000000 ] - [ 0.0000393800000000, -0.0001244300000000, -0.0000105800000000 ] - [ -0.0024846000000000, 0.0171126200000000, 0.0224073900000000 ] - [ 0.0017439500000000, -0.0039563100000000, 0.0024712100000000 ] - [ 0.0000539200000000, 0.0005521500000000, 0.0000031100000000 ] - [ 0.0000734500000000, -0.0005499800000000, 0.0000923300000000 ] - [ 0.0016357300000000, 0.0036655300000000, 0.0024484900000000 ] - [ -0.0016022800000000, -0.0018235500000000, 0.0001049900000000 ] - [ -0.0001576500000000, 0.0002888000000000, 0.0000315500000000 ] - [ -0.0001623800000000, -0.0004335600000000, 0.0000601000000000 ] - [ -0.0015297900000000, 0.0016601500000000, 0.0001120600000000 ] - [ 0.0019976000000000, 0.0001282100000000, 0.0024613500000000 ] - [ 0.0000087100000000, 0.0000176100000000, 0.0003575400000000 ] - [ -0.0002456100000000, -0.0000744200000000, 0.0011433900000000 ] - [ -0.0002252900000000, -0.0000005700000000, 0.0010588400000000 ] - [ 0.0000074300000000, 0.0000742600000000, -0.0000274700000000 ] - [ -0.0027872700000000, -0.0022880300000000, 0.0054588100000000 ] - [ -0.0028653300000000, 0.0023093000000000, 0.0055065400000000 ] - [ 0.0000136000000000, -0.0000515400000000, -0.0000090100000000 ] - [ -0.0022190900000000, -0.0002846700000000, 0.0041463000000000 ] - [ 0.0000107800000000, -0.0000676900000000, 0.0001085600000000 ] - [ -0.0000139700000000, 0.0000236100000000, 0.0000988200000000 ] - [ -0.0017464300000000, -0.0000493200000000, 0.0040845900000000 ] - [ -0.0006987300000000, 0.0016697400000000, 0.0023217500000000 ] - [ -0.0002551300000000, -0.0003774400000000, 0.0001244900000000 ] - [ -0.0001561400000000, 0.0004455000000000, 0.0002740800000000 ] - [ -0.0006161900000000, -0.0012754000000000, 0.0019640200000000 ] - [ 0.0001885900000000, 0.0002901900000000, 0.0006690600000000 ] - [ 0.0001498000000000, -0.0002446700000000, 0.0005392600000000 ] - [ 0.0001722300000000, 0.0000394100000000, 0.0000417900000000 ] - [ -0.0046635400000000, -0.0006749000000000, 0.0327080300000000 ]- atom: 65 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0018815400000000, 0.0014526900000000, -0.0040979400000000 ] - [ 0.0000072100000000, -0.0000421100000000, -0.0000962300000000 ] - [ 0.0000124500000000, 0.0000440900000000, -0.0001482200000000 ] - [ -0.0019135400000000, -0.0018054900000000, -0.0043685800000000 ] - [ -0.0042794100000000, -0.0032324800000000, 0.0063998900000000 ] - [ -0.0001042900000000, 0.0001055300000000, 0.0001819600000000 ] - [ -0.0001320200000000, -0.0001103200000000, 0.0002532700000000 ] - [ -0.0039894100000000, 0.0028618200000000, 0.0061912800000000 ] - [ -0.0014693800000000, 0.0011663400000000, -0.0000376300000000 ] - [ -0.0012760900000000, -0.0009499300000000, 0.0000587500000000 ] - [ -0.0000942700000000, 0.0004340700000000, 0.0000489600000000 ] - [ -0.0044467800000000, -0.0045341000000000, 0.0051953400000000 ] - [ 0.0000060900000000, 0.0000092700000000, -0.0000416600000000 ] - [ 0.1116082300000000, 0.0080449600000000, -0.0986809300000000 ] - [ 0.0109037100000000, -0.0081608500000000, -0.0011312300000000 ] - [ 0.0001547500000000, 0.0000239300000000, -0.0002032500000000 ] - [ 0.0001643300000000, -0.0003249600000000, -0.0002269900000000 ] - [ 0.0104958300000000, 0.0073173100000000, -0.0009009600000000 ] - [ -0.0023353900000000, -0.0008811900000000, 0.0026073700000000 ] - [ -0.0001997300000000, 0.0002074900000000, 0.0000721300000000 ] - [ -0.0002090400000000, -0.0002393200000000, 0.0000786300000000 ] - [ -0.0021578900000000, 0.0007326700000000, 0.0025466100000000 ] - [ 0.0000166600000000, 0.0000024100000000, 0.0000487800000000 ] - [ -0.0007320000000000, -0.0001152800000000, 0.0022559200000000 ] - [ 0.0005186600000000, 0.0014926000000000, 0.0006072300000000 ] - [ 0.0004212900000000, -0.0012508800000000, 0.0005046000000000 ] - [ 0.0057701300000000, -0.0002037400000000, 0.0033628900000000 ] - [ 0.0000104500000000, -0.0000252100000000, -0.0000022300000000 ] - [ -0.0000314600000000, 0.0000126500000000, 0.0001466000000000 ] - [ -0.0167501200000000, 0.0003398700000000, -0.0120774800000000 ] - [ 0.0008285000000000, 0.0001702100000000, -0.0014514500000000 ] - [ 0.0007835300000000, -0.0001232900000000, -0.0012799400000000 ] - [ 0.0003292300000000, 0.0001159700000000, 0.0005959000000000 ] - [ 0.0002667900000000, 0.0001211900000000, 0.0004924300000000 ] - [ -0.0000853600000000, 0.0000167100000000, -0.0002224000000000 ] - [ 0.1547610100000000, -0.0119708100000000, -0.2568343700000000 ] - [ 0.0001345500000000, 0.0000180900000000, 0.0001383900000000 ] - [ 0.0051805300000000, 0.0000428000000000, 0.0032354800000000 ] - [ 0.0000309700000000, -0.0017009400000000, -0.0012408200000000 ] - [ 0.0000484300000000, 0.0019183900000000, -0.0011574000000000 ] - [ 0.0010662000000000, -0.0017685200000000, 0.0010553800000000 ] - [ 0.0009559100000000, 0.0016265700000000, 0.0009365100000000 ] - [ -0.0000202700000000, 0.0000145900000000, -0.0001298000000000 ] - [ -0.0030035300000000, 0.0001954900000000, 0.0166206400000000 ] - [ -0.0062782000000000, 0.0060745800000000, 0.0068010100000000 ] - [ -0.0000933800000000, -0.0002709600000000, 0.0000603200000000 ] - [ -0.0001155100000000, 0.0000351500000000, 0.0000173700000000 ] - [ -0.0005346800000000, 0.0000409600000000, 0.0041678600000000 ] - [ 0.0007634700000000, 0.0001579900000000, 0.0007065000000000 ] - [ 0.0007404800000000, -0.0001272700000000, 0.0006318200000000 ] - [ 0.0001357700000000, -0.0003552000000000, -0.0000400800000000 ] - [ 0.0023290700000000, 0.0026201500000000, 0.0003018100000000 ] - [ 0.0029725700000000, -0.0030364700000000, 0.0004083500000000 ] - [ 0.0002013400000000, 0.0003273500000000, -0.0000374500000000 ] - [ 0.0151425800000000, -0.0108937500000000, -0.0051645100000000 ] - [ -0.0001459500000000, 0.0000953300000000, 0.0000364500000000 ] - [ -0.0001086700000000, -0.0001055200000000, 0.0000441300000000 ] - [ 0.0153029800000000, 0.0106311100000000, -0.0033333900000000 ] - [ 0.0048261100000000, 0.0020081000000000, 0.0009950400000000 ] - [ 0.0000184700000000, -0.0000974700000000, 0.0001424600000000 ] - [ 0.0000369500000000, 0.0001052000000000, 0.0001674100000000 ] - [ 0.0049240100000000, -0.0020938000000000, 0.0009703200000000 ] - [ -0.0001361400000000, -0.0007550300000000, 0.0006172100000000 ] - [ -0.0001163800000000, 0.0005640100000000, 0.0005371200000000 ] - [ -0.3392512100000000, 0.0047609400000000, 0.4403153900000000 ] - [ -0.0000715700000000, 0.0000143900000000, -0.0002271000000000 ] - [ 0.0002730400000000, 0.0001002300000000, -0.0002085900000000 ] - [ -0.0000041300000000, -0.0001935400000000, -0.0000024800000000 ] - [ -0.0000200200000000, 0.0000781100000000, -0.0000572500000000 ] - [ 0.0002626600000000, -0.0001553400000000, -0.0002179100000000 ] - [ -0.0015843900000000, 0.0003393400000000, 0.0021539900000000 ] - [ -0.0001454100000000, -0.0000048300000000, 0.0002893300000000 ] - [ -0.0001601200000000, 0.0000507700000000, 0.0002274000000000 ] - [ -0.0016625600000000, -0.0002936300000000, 0.0019387400000000 ] - [ -0.0036039800000000, -0.0003388800000000, 0.0005489000000000 ] - [ -0.0000020800000000, -0.0000088800000000, 0.0000123300000000 ] - [ -0.0000843200000000, -0.0000049400000000, -0.0000057900000000 ] - [ -0.0035294200000000, 0.0003309000000000, 0.0004080400000000 ] - [ -0.0008775300000000, 0.0004933300000000, 0.0005786900000000 ] - [ -0.0008288600000000, -0.0004779300000000, 0.0005064300000000 ] - [ -0.0029337300000000, -0.0000804100000000, -0.0043951700000000 ] - [ -0.0000044900000000, -0.0000163800000000, -0.0001190100000000 ] - [ 0.0358075400000000, -0.0008287200000000, -0.0040435700000000 ] - [ 0.0000263700000000, -0.0000167000000000, 0.0001342600000000 ] - [ -0.0005054800000000, 0.0002608100000000, -0.0000124600000000 ] - [ -0.0004418900000000, -0.0002713600000000, 0.0000026800000000 ] - [ 0.0035013200000000, 0.0169413900000000, -0.0263203000000000 ] - [ -0.0000363800000000, -0.0000765300000000, 0.0000731400000000 ] - [ 0.0000400000000000, 0.0000607600000000, 0.0000973300000000 ] - [ 0.0025755400000000, -0.0173872600000000, -0.0225322400000000 ] - [ -0.0017296300000000, 0.0039105100000000, -0.0025284000000000 ] - [ -0.0000255200000000, -0.0006187900000000, -0.0000536300000000 ] - [ -0.0000245700000000, 0.0007379000000000, 0.0000485900000000 ] - [ -0.0015967500000000, -0.0034940700000000, -0.0023153400000000 ] - [ 0.0015569200000000, 0.0014697900000000, -0.0001587900000000 ] - [ 0.0001081600000000, -0.0006570700000000, -0.0000918700000000 ] - [ 0.0001219200000000, 0.0005590600000000, -0.0000499900000000 ] - [ 0.0014924900000000, -0.0015492400000000, -0.0000957300000000 ] - [ -0.0019784800000000, -0.0001012800000000, -0.0018396300000000 ] - [ 0.0000222800000000, 0.0000112600000000, 0.0002772600000000 ] - [ 0.0001060200000000, -0.0000131400000000, -0.0009552900000000 ] - [ 0.0000868400000000, -0.0000880300000000, -0.0008705300000000 ] - [ 0.0000421500000000, 0.0001237800000000, -0.0002084300000000 ] - [ 0.0028319700000000, 0.0024678900000000, -0.0056772500000000 ] - [ 0.0029393300000000, -0.0024678700000000, -0.0056826300000000 ] - [ 0.0000590100000000, -0.0001195800000000, -0.0001838700000000 ] - [ 0.0024186300000000, 0.0002943700000000, -0.0041326400000000 ] - [ 0.0001980700000000, 0.0000823700000000, -0.0000886500000000 ] - [ 0.0001605000000000, -0.0000725700000000, -0.0000890400000000 ] - [ 0.0018877000000000, 0.0000001200000000, -0.0040886500000000 ] - [ 0.0004429400000000, -0.0017195600000000, -0.0022826400000000 ] - [ -0.0000003100000000, 0.0003222700000000, -0.0000844600000000 ] - [ 0.0001357700000000, -0.0003751200000000, -0.0001104100000000 ] - [ 0.0005951800000000, 0.0013414900000000, -0.0018039900000000 ] - [ -0.0004661600000000, -0.0002939100000000, -0.0006253100000000 ] - [ -0.0004280400000000, 0.0002384600000000, -0.0004965200000000 ] - [ 0.0001148400000000, 0.0000337400000000, -0.0000297300000000 ] - [ 0.0049610600000000, 0.0007288000000000, -0.0322624300000000 ]- atom: 67 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0140103300000000, -0.0010793000000000, 0.0052697300000000 ] - [ 0.0000373800000000, -0.0002182100000000, 0.0000236200000000 ] - [ 0.0004381100000000, -0.0012451700000000, -0.0006705600000000 ] - [ 0.0006291500000000, -0.0001242100000000, -0.0002057700000000 ] - [ -0.0046764000000000, -0.0007945200000000, -0.0029972600000000 ] - [ -0.0000349900000000, -0.0002022500000000, -0.0000744500000000 ] - [ -0.0014199700000000, 0.0002549400000000, -0.0003426400000000 ] - [ -0.0004413300000000, -0.0003923000000000, -0.0000718000000000 ] - [ 0.0026162700000000, 0.0004064900000000, 0.0036961700000000 ] - [ -0.0001610100000000, -0.0003405100000000, 0.0000409200000000 ] - [ -0.0005834800000000, 0.0003032900000000, -0.0004284600000000 ] - [ 0.0000669300000000, 0.0000408300000000, -0.0000586400000000 ] - [ -0.0001313300000000, -0.0002559100000000, -0.0001204200000000 ] - [ -0.0007196800000000, 0.0006680300000000, -0.0009826800000000 ] - [ -0.0081491700000000, 0.0028114400000000, 0.0007236300000000 ] - [ -0.0000717300000000, -0.0005329900000000, -0.0000179700000000 ] - [ -0.0011909600000000, -0.0022433800000000, -0.0010260200000000 ] - [ -0.0006650900000000, 0.0000679000000000, -0.0000874600000000 ] - [ 0.0966790400000000, 0.0550323800000000, -0.0001521100000000 ] - [ 0.0000505200000000, -0.0002691400000000, 0.0000014500000000 ] - [ 0.0025262700000000, 0.0010466400000000, -0.0002161000000000 ] - [ 0.0001788700000000, -0.0011632900000000, -0.0001114800000000 ] - [ -0.0000019700000000, -0.0003682200000000, 0.0001631600000000 ] - [ -0.0002174900000000, 0.0002795500000000, 0.0012067200000000 ] - [ -0.0025643700000000, 0.0007664500000000, -0.0036037200000000 ] - [ 0.0001882100000000, -0.0003365300000000, -0.0000302500000000 ] - [ 0.0000561700000000, 0.0000558700000000, 0.0002590600000000 ] - [ 0.0000429300000000, -0.0000432600000000, 0.0000466100000000 ] - [ 0.0000885100000000, -0.0001579000000000, 0.0003162000000000 ] - [ -0.0023542300000000, -0.0039235200000000, 0.0021986000000000 ] - [ -0.0057397900000000, -0.0040784100000000, -0.0030214500000000 ] - [ -0.0001132800000000, -0.0002226400000000, 0.0002607400000000 ] - [ 0.0407607200000000, 0.0168424200000000, -0.0067283000000000 ] - [ -0.0000835800000000, -0.0003196300000000, 0.0000444700000000 ] - [ -0.0003268600000000, -0.0003310100000000, -0.0002027500000000 ] - [ -0.0025501900000000, 0.0000159200000000, -0.0003335100000000 ] - [ 0.0002866400000000, -0.0009008100000000, 0.0003039900000000 ] - [ 0.0031658100000000, 0.0052796600000000, 0.0038184500000000 ] - [ -0.0056363100000000, 0.0106313200000000, 0.0057867300000000 ] - [ 0.0001049800000000, -0.0004247900000000, 0.0000014100000000 ] - [ -0.0132623000000000, 0.0014484300000000, 0.0033615300000000 ] - [ 0.0000185500000000, -0.0002411000000000, -0.0002533800000000 ] - [ 0.0002849300000000, -0.0000557800000000, -0.0001794400000000 ] - [ 0.0040204900000000, -0.0044385600000000, -0.0021138000000000 ] - [ -0.0008581500000000, 0.0002779900000000, -0.0021252100000000 ] - [ -0.0000130400000000, -0.0003709500000000, 0.0000056800000000 ] - [ -0.0001575500000000, 0.0001185200000000, -0.0000870100000000 ] - [ 0.0004481700000000, 0.0005419800000000, -0.0017030200000000 ] - [ 0.0005246000000000, -0.0029765200000000, -0.0044419200000000 ] - [ 0.0001333800000000, 0.0001907000000000, -0.0000818000000000 ] - [ -0.0004654900000000, 0.0001679200000000, 0.0000317700000000 ] - [ -0.0000494800000000, 0.0002750300000000, -0.0001522700000000 ] - [ -0.0009024600000000, -0.0007821600000000, 0.0015079100000000 ] - [ 0.0000495200000000, 0.0002090500000000, -0.0000493000000000 ] - [ -0.0000764200000000, -0.0006322300000000, 0.0013644300000000 ] - [ -0.0001746700000000, 0.0002315200000000, 0.0000246400000000 ] - [ -0.0000220800000000, 0.0001426800000000, 0.0002803700000000 ] - [ -0.0001381200000000, -0.0001357500000000, 0.0001660700000000 ] - [ -0.0001585500000000, 0.0102137300000000, -0.0065810800000000 ] - [ -0.0000311400000000, 0.0001212500000000, 0.0000349500000000 ] - [ -0.0004903900000000, 0.0003277400000000, 0.0003283600000000 ] - [ -0.0002181100000000, 0.0018270900000000, 0.0003667800000000 ] - [ 0.0007670300000000, 0.0004508300000000, 0.0026046600000000 ] - [ 0.0000649400000000, 0.0000645200000000, -0.0000331300000000 ] - [ 0.0008138500000000, -0.0002763900000000, -0.0001223800000000 ] - [ 0.0000329500000000, 0.0001440100000000, -0.0002583600000000 ] - [ -0.1770216200000000, -0.0888452100000000, 0.0081837300000000 ] - [ 0.0000164000000000, 0.0000847300000000, -0.0000331800000000 ] - [ -0.0078900800000000, 0.0034633700000000, -0.0007817400000000 ] - [ -0.0003171300000000, 0.0004767400000000, 0.0001321400000000 ] - [ 0.0084532900000000, 0.0013495600000000, 0.0040934900000000 ] - [ 0.0000449200000000, 0.0001833500000000, 0.0001050300000000 ] - [ 0.0012927700000000, 0.0010815200000000, 0.0009141600000000 ] - [ 0.0000281200000000, 0.0000685700000000, 0.0000308300000000 ] - [ 0.0051033800000000, -0.0101338100000000, -0.0014793700000000 ] - [ 0.0000713900000000, 0.0004153400000000, 0.0000645900000000 ] - [ -0.0002733200000000, 0.0008155600000000, -0.0000600200000000 ] - [ -0.0002751200000000, -0.0016752100000000, -0.0000710400000000 ] - [ 0.0055435900000000, -0.0007654900000000, -0.0016986200000000 ] - [ -0.0001625600000000, 0.0001145400000000, -0.0000895800000000 ] - [ -0.0032059900000000, -0.0000072700000000, -0.0007462400000000 ] - [ -0.0002919500000000, 0.0001689700000000, -0.0002014000000000 ] - [ 0.0016643100000000, 0.0007747800000000, 0.0000209200000000 ] - [ 0.0000499500000000, 0.0000241400000000, 0.0000917600000000 ] - [ 0.0197480600000000, 0.0148872600000000, -0.0174535200000000 ] - [ 0.0002156500000000, 0.0000875500000000, 0.0000698900000000 ] - [ 0.0030933700000000, -0.0001715200000000, -0.0000961500000000 ] - [ -0.0000184000000000, 0.0002603200000000, -0.0000164800000000 ] - [ 0.0006421600000000, 0.0004493500000000, 0.0002908400000000 ] - [ 0.0006403100000000, 0.0001950300000000, 0.0001722200000000 ] - [ 0.0044558300000000, -0.0015717300000000, 0.0000187800000000 ] - [ -0.0000082700000000, 0.0001835100000000, -0.0000917300000000 ] - [ 0.0035598500000000, 0.0018242800000000, 0.0007169100000000 ] - [ 0.0001818800000000, 0.0001810800000000, 0.0000646300000000 ] - [ 0.0183830700000000, -0.0026059400000000, -0.0014896700000000 ] - [ -0.0000399500000000, 0.0001014400000000, 0.0000378300000000 ] - [ -0.0001264700000000, -0.0029345800000000, 0.0004479800000000 ] - [ 0.0001914700000000, 0.0005787300000000, -0.0001150500000000 ] - [ 0.0001666100000000, -0.0008780600000000, -0.0014189800000000 ] - [ 0.0000404900000000, 0.0002726300000000, 0.0001813100000000 ] - [ 0.0020424000000000, -0.0003401700000000, -0.0039244900000000 ] - [ -0.0000526200000000, 0.0000732600000000, 0.0000356300000000 ] - [ -0.0003682800000000, -0.0001213600000000, -0.0000550300000000 ] - [ -0.0003098000000000, 0.0016021700000000, -0.0002340200000000 ] - [ 0.0017522100000000, 0.0065775900000000, 0.0042043400000000 ] - [ -0.0000377800000000, 0.0000716000000000, -0.0000430600000000 ] - [ 0.0005898800000000, -0.0003069800000000, 0.0003709200000000 ] - [ 0.0002075400000000, 0.0002546900000000, -0.0000269700000000 ] - [ 0.0003582700000000, 0.0001307600000000, -0.0001135100000000 ] - [ 0.0002305900000000, -0.0000009800000000, -0.0000611800000000 ] - [ 0.0009165200000000, 0.0000026800000000, 0.0017783100000000 ] - [ -0.0000471100000000, 0.0002084900000000, 0.0000531200000000 ] - [ 0.0010106600000000, -0.0006972700000000, 0.0006209800000000 ] - [ 0.0000071400000000, 0.0002795300000000, 0.0001840100000000 ] - [ -0.0039095200000000, -0.0082555000000000, 0.0115409300000000 ] - [ -0.0001667100000000, 0.0001714100000000, 0.0000561300000000 ] - [ 0.0000825700000000, 0.0000540600000000, 0.0000562500000000 ] - [ -0.0004960800000000, 0.0004636900000000, 0.0011904700000000 ]- atom: 67 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0139386300000000, 0.0008456100000000, -0.0047580100000000 ] - [ -0.0000606800000000, 0.0002769300000000, 0.0000894700000000 ] - [ -0.0004453300000000, 0.0011956700000000, 0.0007228500000000 ] - [ -0.0006546400000000, 0.0000729900000000, 0.0002397900000000 ] - [ 0.0047242200000000, 0.0008500400000000, 0.0029053100000000 ] - [ 0.0000649300000000, 0.0002521600000000, -0.0000501700000000 ] - [ 0.0014314800000000, -0.0003124700000000, 0.0003331800000000 ] - [ 0.0004573400000000, 0.0003440300000000, 0.0000514000000000 ] - [ -0.0030027600000000, -0.0003749200000000, -0.0037722500000000 ] - [ -0.0002041400000000, 0.0003859200000000, -0.0001169400000000 ] - [ 0.0005807800000000, 0.0000277400000000, 0.0004254500000000 ] - [ -0.0000675600000000, 0.0002937900000000, 0.0000587300000000 ] - [ -0.0000452000000000, 0.0002742300000000, 0.0001012600000000 ] - [ 0.0005459700000000, -0.0006537800000000, 0.0009664200000000 ] - [ 0.0081372900000000, -0.0030723800000000, -0.0007130400000000 ] - [ 0.0000720100000000, 0.0002703700000000, 0.0000185000000000 ] - [ 0.0012000100000000, 0.0019214700000000, 0.0010292100000000 ] - [ 0.0006645700000000, -0.0003700600000000, 0.0000873300000000 ] - [ -0.1011632700000000, -0.0589207200000000, 0.0002449200000000 ] - [ -0.0000512200000000, 0.0004753600000000, -0.0000013400000000 ] - [ -0.0025953100000000, -0.0012537400000000, 0.0002309100000000 ] - [ -0.0001804600000000, 0.0009410700000000, 0.0001115200000000 ] - [ 0.0001792400000000, 0.0003854500000000, -0.0001449600000000 ] - [ 0.0003928000000000, -0.0002659600000000, -0.0011917400000000 ] - [ 0.0028648400000000, -0.0007492200000000, 0.0036296500000000 ] - [ 0.0001763800000000, 0.0003819500000000, 0.0001065800000000 ] - [ -0.0000576800000000, -0.0001062100000000, -0.0002591000000000 ] - [ -0.0000442900000000, -0.0000066700000000, -0.0000461400000000 ] - [ -0.0000421200000000, 0.0001808800000000, 0.0000998800000000 ] - [ 0.0024016400000000, 0.0039325700000000, -0.0017863000000000 ] - [ 0.0057944900000000, 0.0040331200000000, 0.0037064200000000 ] - [ 0.0001555600000000, 0.0002212400000000, 0.0004515300000000 ] - [ -0.0415895700000000, -0.0171687000000000, 0.0073939500000000 ] - [ -0.0003743500000000, 0.0005840500000000, 0.0001136400000000 ] - [ 0.0001343100000000, 0.0003714800000000, 0.0000145800000000 ] - [ 0.0023632200000000, 0.0000367400000000, 0.0001391900000000 ] - [ -0.0000913300000000, 0.0009508600000000, -0.0001191600000000 ] - [ -0.0029662800000000, -0.0052383700000000, -0.0036190000000000 ] - [ 0.0061012700000000, -0.0104842600000000, -0.0059982800000000 ] - [ 0.0003516300000000, 0.0006897500000000, -0.0001602300000000 ] - [ 0.0132463100000000, -0.0014734500000000, -0.0040784600000000 ] - [ -0.0000618600000000, 0.0002401800000000, -0.0004597700000000 ] - [ -0.0003386100000000, 0.0000802100000000, -0.0002389600000000 ] - [ -0.0040913800000000, 0.0044666700000000, 0.0017032500000000 ] - [ 0.0008637700000000, -0.0002349600000000, 0.0021287000000000 ] - [ 0.0000125000000000, 0.0004399800000000, -0.0000060600000000 ] - [ -0.0001143900000000, -0.0000479800000000, 0.0000443200000000 ] - [ -0.0007206600000000, -0.0004704300000000, 0.0016665500000000 ] - [ -0.0002362200000000, 0.0029962900000000, 0.0043900700000000 ] - [ 0.0001440100000000, -0.0002048200000000, -0.0000040800000000 ] - [ 0.0004939700000000, -0.0000803200000000, -0.0001904400000000 ] - [ 0.0000737000000000, -0.0001962400000000, -0.0000009600000000 ] - [ 0.0011559600000000, 0.0007325000000000, -0.0015696000000000 ] - [ 0.0002090800000000, -0.0002753600000000, 0.0000093400000000 ] - [ -0.0001391600000000, 0.0006533200000000, -0.0013778400000000 ] - [ -0.0000352300000000, -0.0002193600000000, -0.0000411600000000 ] - [ -0.0001306100000000, -0.0001893300000000, -0.0002771100000000 ] - [ -0.0000150300000000, 0.0000883100000000, -0.0001624600000000 ] - [ 0.0001259000000000, -0.0104353000000000, 0.0068119600000000 ] - [ -0.0000473300000000, -0.0002980200000000, 0.0001595700000000 ] - [ 0.0004527400000000, -0.0001479000000000, -0.0001036800000000 ] - [ 0.0001728000000000, -0.0016420800000000, -0.0001314400000000 ] - [ -0.0006595000000000, -0.0005368800000000, -0.0027943700000000 ] - [ 0.0000437500000000, -0.0001619600000000, -0.0001891000000000 ] - [ -0.0008462800000000, 0.0003050800000000, -0.0004990800000000 ] - [ -0.0000641800000000, -0.0001147100000000, -0.0003693800000000 ] - [ 0.1819056500000000, 0.0935982000000000, -0.0090131600000000 ] - [ 0.0000249800000000, -0.0004612700000000, 0.0000947300000000 ] - [ 0.0079282700000000, -0.0034765400000000, 0.0007720500000000 ] - [ 0.0003553100000000, -0.0003566800000000, -0.0001444900000000 ] - [ -0.0084016800000000, -0.0014065400000000, -0.0040018300000000 ] - [ -0.0000694400000000, -0.0002591400000000, -0.0000659800000000 ] - [ -0.0013567900000000, -0.0008765700000000, -0.0010591700000000 ] - [ -0.0000803000000000, 0.0001169800000000, -0.0001714300000000 ] - [ -0.0049896300000000, 0.0100688100000000, 0.0014321600000000 ] - [ 0.0000079000000000, -0.0003952500000000, -0.0001150300000000 ] - [ 0.0001837100000000, -0.0008831500000000, -0.0000275300000000 ] - [ 0.0001959700000000, 0.0016031200000000, -0.0000161600000000 ] - [ -0.0061760300000000, 0.0007612900000000, 0.0015863300000000 ] - [ -0.0004514200000000, -0.0001451500000000, -0.0000386000000000 ] - [ 0.0032528900000000, -0.0000197600000000, 0.0005500500000000 ] - [ 0.0003334000000000, -0.0002042400000000, 0.0000054700000000 ] - [ -0.0017067400000000, -0.0008088100000000, 0.0001787300000000 ] - [ -0.0000894400000000, -0.0000559700000000, 0.0001064100000000 ] - [ -0.0190436600000000, -0.0147290100000000, 0.0173803800000000 ] - [ 0.0003969600000000, -0.0001176000000000, 0.0000581300000000 ] - [ -0.0031824400000000, 0.0001875000000000, 0.0001434900000000 ] - [ -0.0000631000000000, -0.0002379100000000, 0.0000668000000000 ] - [ -0.0005638800000000, -0.0005085300000000, -0.0002043600000000 ] - [ -0.0005622600000000, -0.0002646300000000, -0.0000877800000000 ] - [ -0.0044485200000000, 0.0015140600000000, -0.0000719200000000 ] - [ 0.0000335900000000, -0.0002588200000000, 0.0000502000000000 ] - [ -0.0035095500000000, -0.0016261200000000, -0.0005720400000000 ] - [ -0.0001323000000000, 0.0000047600000000, 0.0000772500000000 ] - [ -0.0187696500000000, 0.0022499500000000, 0.0014416500000000 ] - [ -0.0000034200000000, -0.0004780200000000, -0.0000992000000000 ] - [ 0.0001103100000000, 0.0030930500000000, -0.0004489500000000 ] - [ -0.0002287700000000, -0.0004591400000000, 0.0001273600000000 ] - [ -0.0001370000000000, 0.0009079500000000, 0.0020412200000000 ] - [ -0.0000116700000000, -0.0002451900000000, 0.0004494000000000 ] - [ -0.0021481100000000, 0.0002478700000000, 0.0041432800000000 ] - [ -0.0000562200000000, -0.0001708100000000, 0.0001869900000000 ] - [ 0.0004246800000000, 0.0003091900000000, -0.0001815200000000 ] - [ 0.0003571500000000, -0.0014170300000000, -0.0000030500000000 ] - [ -0.0016815400000000, -0.0068017300000000, -0.0044374000000000 ] - [ 0.0001165000000000, -0.0002493500000000, -0.0001505800000000 ] - [ -0.0003787600000000, 0.0003288300000000, -0.0003598900000000 ] - [ -0.0000001200000000, -0.0002431300000000, 0.0000431300000000 ] - [ -0.0002046300000000, -0.0001784100000000, 0.0001095300000000 ] - [ -0.0000778500000000, -0.0000462700000000, 0.0000578000000000 ] - [ -0.0011633200000000, -0.0000501400000000, -0.0017426700000000 ] - [ -0.0002117800000000, -0.0002753400000000, -0.0000118500000000 ] - [ -0.0010190500000000, 0.0007768400000000, -0.0004623800000000 ] - [ -0.0000325000000000, -0.0002003300000000, -0.0000312800000000 ] - [ 0.0037617300000000, 0.0082097500000000, -0.0114006900000000 ] - [ -0.0001111300000000, -0.0001857200000000, 0.0000298500000000 ] - [ 0.0001897000000000, 0.0000157700000000, -0.0000132100000000 ] - [ 0.0007707800000000, -0.0003930600000000, -0.0011550700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010213600000000, 0.0161511000000000, -0.0038687700000000 ] - [ -0.0001303700000000, -0.0017950000000000, -0.0000466800000000 ] - [ -0.0030468300000000, -0.0029012100000000, -0.0047473300000000 ] - [ 0.0006542900000000, -0.0021053300000000, 0.0004728300000000 ] - [ -0.0023155200000000, 0.0042404100000000, -0.0007682100000000 ] - [ 0.0001722500000000, -0.0017095400000000, -0.0000522400000000 ] - [ 0.0005778400000000, -0.0003542400000000, 0.0001538100000000 ] - [ -0.0004750600000000, -0.0016351900000000, -0.0001843000000000 ] - [ -0.0009912700000000, 0.0051250900000000, -0.0004636100000000 ] - [ -0.0001439300000000, -0.0023965500000000, 0.0000615400000000 ] - [ -0.0000936500000000, -0.0004289200000000, -0.0000363700000000 ] - [ 0.0000411900000000, -0.0016438500000000, 0.0001440400000000 ] - [ 0.0001632300000000, -0.0017324000000000, 0.0001628100000000 ] - [ -0.0007418900000000, 0.0003048600000000, -0.0003128100000000 ] - [ 0.0031024900000000, 0.0084326100000000, -0.0006510700000000 ] - [ -0.0001792700000000, -0.0029340800000000, -0.0000291200000000 ] - [ -0.0020139600000000, -0.0009717900000000, -0.0007910400000000 ] - [ 0.0006119400000000, -0.0028238600000000, 0.0000863800000000 ] - [ 0.0524118300000000, 0.0625487300000000, -0.0038012800000000 ] - [ 0.0000844700000000, -0.0029847600000000, -0.0000267900000000 ] - [ 0.0107416600000000, -0.0063821800000000, -0.0017166700000000 ] - [ -0.0004813800000000, -0.0038701900000000, -0.0005123500000000 ] - [ -0.0004396600000000, -0.0016763000000000, 0.0000041700000000 ] - [ 0.0021363500000000, 0.0007013500000000, 0.0009893700000000 ] - [ 0.0074111200000000, 0.0040691000000000, 0.0049178100000000 ] - [ 0.0001134900000000, -0.0022988900000000, -0.0000356000000000 ] - [ -0.0004127600000000, 0.0001792100000000, -0.0001332300000000 ] - [ 0.0000384300000000, -0.0002076600000000, 0.0001199600000000 ] - [ 0.0008787400000000, -0.0036298900000000, -0.0004232200000000 ] - [ -0.0053767800000000, -0.0093242900000000, 0.0034519200000000 ] - [ -0.0008527000000000, 0.0048541700000000, 0.0009689300000000 ] - [ -0.0000006600000000, -0.0027551100000000, 0.0003819200000000 ] - [ 0.0181060300000000, 0.1503972700000000, -0.0825004500000000 ] - [ -0.0001670700000000, -0.0031643200000000, -0.0000846300000000 ] - [ 0.0002639300000000, -0.0020522700000000, 0.0000273900000000 ] - [ -0.0025525200000000, 0.0003202100000000, -0.0009810200000000 ] - [ -0.0006464600000000, -0.0036780200000000, 0.0005132000000000 ] - [ 0.0031470100000000, -0.0047743200000000, -0.0021572000000000 ] - [ 0.0022692300000000, 0.0077166000000000, 0.0008348000000000 ] - [ 0.0001217600000000, -0.0029583700000000, -0.0000124100000000 ] - [ -0.0113620700000000, 0.0049454000000000, 0.0018161800000000 ] - [ 0.0000689400000000, -0.0027389700000000, -0.0003586300000000 ] - [ 0.0002295000000000, -0.0036029800000000, 0.0006889900000000 ] - [ -0.0005994900000000, -0.0049231600000000, -0.0042096700000000 ] - [ 0.0005239500000000, 0.0048774200000000, 0.0019376400000000 ] - [ 0.0000155600000000, -0.0026887900000000, 0.0000045900000000 ] - [ -0.0002562700000000, 0.0008395800000000, 0.0004467800000000 ] - [ 0.0009447400000000, 0.0014070900000000, -0.0032900800000000 ] - [ -0.0013402200000000, -0.0027713000000000, 0.0007233500000000 ] - [ 0.0001389700000000, 0.0011633500000000, -0.0000620500000000 ] - [ -0.0001010800000000, -0.0008286600000000, 0.0015531900000000 ] - [ 0.0002511900000000, 0.0016961100000000, -0.0003125100000000 ] - [ 0.0008043200000000, -0.0047010300000000, -0.0019397300000000 ] - [ -0.0003697900000000, 0.0016829800000000, -0.0001447300000000 ] - [ -0.0001802600000000, -0.0018109600000000, -0.0015634200000000 ] - [ -0.0006499200000000, 0.0015698300000000, 0.0001380500000000 ] - [ 0.0003097300000000, 0.0008412800000000, 0.0003071700000000 ] - [ 0.0000344100000000, 0.0008197000000000, -0.0002951800000000 ] - [ 0.0124277700000000, 0.0230582700000000, -0.0178296100000000 ] - [ 0.0002094700000000, 0.0020823000000000, -0.0003412600000000 ] - [ -0.0016993200000000, 0.0040016500000000, 0.0028533500000000 ] - [ -0.0000229000000000, 0.0043816400000000, 0.0007596200000000 ] - [ -0.0005161700000000, -0.0016583100000000, -0.0022305400000000 ] - [ 0.0000737000000000, 0.0009562600000000, -0.0001065100000000 ] - [ 0.0005589800000000, -0.0001996100000000, -0.0003130500000000 ] - [ -0.0001138700000000, 0.0006944300000000, -0.0003641100000000 ] - [ -0.0909709800000000, -0.2821370800000000, 0.1369578200000000 ] - [ 0.0002962200000000, 0.0019216200000000, -0.0004982900000000 ] - [ -0.0040111200000000, 0.0311262800000000, -0.0021887900000000 ] - [ -0.0004091000000000, 0.0024942100000000, 0.0006857700000000 ] - [ -0.0007135300000000, -0.0055131700000000, -0.0009479100000000 ] - [ 0.0003361800000000, 0.0018232900000000, 0.0005220400000000 ] - [ 0.0018857200000000, -0.0013187200000000, 0.0010794100000000 ] - [ -0.0004502600000000, 0.0019243000000000, -0.0006409300000000 ] - [ -0.0099031300000000, 0.0044543700000000, 0.0008507200000000 ] - [ 0.0004526700000000, 0.0021682600000000, 0.0005437900000000 ] - [ 0.0014972500000000, 0.0023597800000000, -0.0003759400000000 ] - [ -0.0009361800000000, 0.0024869100000000, -0.0005857800000000 ] - [ 0.0000043700000000, -0.0019947300000000, -0.0005323200000000 ] - [ -0.0002366200000000, 0.0009924000000000, -0.0000832800000000 ] - [ -0.0005436500000000, 0.0028830300000000, 0.0015014600000000 ] - [ 0.0000829800000000, 0.0015162900000000, -0.0003595900000000 ] - [ 0.0041426900000000, 0.0014506700000000, 0.0007206900000000 ] - [ -0.0006766700000000, 0.0009860000000000, 0.0000293200000000 ] - [ 0.0188652100000000, 0.0023306800000000, -0.0112605500000000 ] - [ 0.0001973500000000, 0.0010459000000000, 0.0001026100000000 ] - [ -0.0000696800000000, -0.0023759600000000, 0.0006412100000000 ] - [ -0.0002928000000000, 0.0016987900000000, -0.0004353300000000 ] - [ 0.0003328400000000, 0.0009747400000000, 0.0004111200000000 ] - [ 0.0005141700000000, 0.0010132700000000, 0.0004906500000000 ] - [ 0.0025511300000000, -0.0048922100000000, 0.0014608100000000 ] - [ -0.0002928300000000, 0.0017857300000000, -0.0004984700000000 ] - [ 0.0022138500000000, 0.0000490600000000, 0.0001007100000000 ] - [ 0.0002399400000000, 0.0018186900000000, 0.0005547900000000 ] - [ 0.0024725500000000, -0.0085771000000000, -0.0007886800000000 ] - [ -0.0003138700000000, 0.0018237200000000, 0.0005025600000000 ] - [ -0.0030690200000000, -0.0022530800000000, 0.0010622900000000 ] - [ 0.0005233200000000, 0.0022356800000000, -0.0004766900000000 ] - [ -0.0013576700000000, 0.0002352000000000, 0.0014274900000000 ] - [ 0.0003992000000000, 0.0009262400000000, -0.0000082900000000 ] - [ 0.0021506900000000, -0.0018021600000000, -0.0024080800000000 ] - [ -0.0000799500000000, 0.0009655300000000, 0.0000754000000000 ] - [ -0.0013431800000000, 0.0026443200000000, -0.0013151300000000 ] - [ 0.0007873600000000, 0.0025135900000000, -0.0002271600000000 ] - [ 0.0063589300000000, 0.0036568700000000, 0.0046444500000000 ] - [ -0.0004206000000000, 0.0020115500000000, 0.0003667300000000 ] - [ -0.0006007600000000, -0.0022145500000000, -0.0000448800000000 ] - [ 0.0006849200000000, 0.0015685200000000, -0.0001384600000000 ] - [ -0.0001846800000000, 0.0008689800000000, -0.0000657600000000 ] - [ -0.0003944700000000, 0.0007348100000000, -0.0000269900000000 ] - [ -0.0021749900000000, -0.0042156700000000, -0.0006795300000000 ] - [ 0.0003619700000000, 0.0016591700000000, 0.0001473700000000 ] - [ -0.0012800800000000, -0.0001867900000000, -0.0006792200000000 ] - [ -0.0003050200000000, 0.0016015700000000, 0.0001726800000000 ] - [ -0.0089444100000000, 0.0015076400000000, -0.0180569200000000 ] - [ -0.0000843100000000, 0.0011642200000000, 0.0001134700000000 ] - [ 0.0000595900000000, 0.0007933700000000, -0.0004739400000000 ] - [ 0.0002617000000000, 0.0003202900000000, 0.0018092400000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007820400000000, -0.0162865900000000, 0.0044107700000000 ] - [ 0.0001035400000000, 0.0018418300000000, 0.0001608700000000 ] - [ 0.0029969300000000, 0.0028480000000000, 0.0047399400000000 ] - [ -0.0006822500000000, 0.0020599900000000, -0.0004414600000000 ] - [ 0.0023360900000000, -0.0042164900000000, 0.0006213900000000 ] - [ -0.0001371500000000, 0.0017497900000000, -0.0000750000000000 ] - [ -0.0005583600000000, 0.0003235900000000, -0.0001716100000000 ] - [ 0.0004919900000000, 0.0015905800000000, 0.0001654700000000 ] - [ 0.0006390000000000, -0.0050613300000000, 0.0004051500000000 ] - [ -0.0002153200000000, 0.0024244100000000, -0.0001463400000000 ] - [ 0.0000918000000000, 0.0007855800000000, 0.0000333400000000 ] - [ -0.0000423300000000, 0.0019854900000000, -0.0001442400000000 ] - [ -0.0003342800000000, 0.0017539100000000, -0.0001806300000000 ] - [ 0.0005724100000000, -0.0002961700000000, 0.0002953300000000 ] - [ -0.0030894300000000, -0.0087459300000000, 0.0006376500000000 ] - [ 0.0001771900000000, 0.0026381800000000, 0.0000294300000000 ] - [ 0.0019981600000000, 0.0006927800000000, 0.0007890100000000 ] - [ -0.0006134200000000, 0.0025274300000000, -0.0000873100000000 ] - [ -0.0551660200000000, -0.0635617900000000, 0.0038417700000000 ] - [ -0.0000829400000000, 0.0031574200000000, 0.0000264600000000 ] - [ -0.0106540500000000, 0.0061503000000000, 0.0017070000000000 ] - [ 0.0004835200000000, 0.0036563300000000, 0.0005152800000000 ] - [ 0.0006083500000000, 0.0016982000000000, 0.0000146900000000 ] - [ -0.0019705700000000, -0.0006921500000000, -0.0009754800000000 ] - [ -0.0070658900000000, -0.0040334700000000, -0.0048441900000000 ] - [ 0.0002466200000000, 0.0023262800000000, 0.0001206400000000 ] - [ 0.0004151400000000, -0.0002312900000000, 0.0001347900000000 ] - [ -0.0000388900000000, 0.0001566300000000, -0.0001179800000000 ] - [ -0.0008253500000000, 0.0036370600000000, 0.0008196300000000 ] - [ 0.0054257700000000, 0.0093397700000000, -0.0030412800000000 ] - [ 0.0008737500000000, -0.0048286400000000, -0.0002777400000000 ] - [ 0.0000346900000000, 0.0027351200000000, 0.0003055600000000 ] - [ -0.0170390400000000, -0.1433782100000000, 0.0766481400000000 ] - [ -0.0002921600000000, 0.0034105400000000, 0.0002664800000000 ] - [ -0.0004445500000000, 0.0020999700000000, -0.0002189100000000 ] - [ 0.0023776500000000, -0.0002909900000000, 0.0007946400000000 ] - [ 0.0008240700000000, 0.0037123600000000, -0.0003167300000000 ] - [ -0.0029836000000000, 0.0048104700000000, 0.0023436700000000 ] - [ -0.0018263400000000, -0.0073720500000000, -0.0010026500000000 ] - [ 0.0003375700000000, 0.0032053400000000, -0.0001692300000000 ] - [ 0.0113127200000000, -0.0049502600000000, -0.0025015900000000 ] - [ -0.0001040200000000, 0.0027197600000000, -0.0003297900000000 ] - [ -0.0002727400000000, 0.0036115400000000, -0.0010833000000000 ] - [ 0.0005755200000000, 0.0049345000000000, 0.0038169600000000 ] - [ -0.0005140400000000, -0.0048625700000000, -0.0019236800000000 ] - [ -0.0000156800000000, 0.0027279700000000, -0.0000054000000000 ] - [ -0.0000314800000000, -0.0007652200000000, -0.0004542200000000 ] - [ -0.0012393100000000, -0.0013404500000000, 0.0032970900000000 ] - [ 0.0016287600000000, 0.0027306400000000, -0.0008005300000000 ] - [ 0.0001402600000000, -0.0011688800000000, 0.0000014500000000 ] - [ 0.0001176300000000, 0.0008851700000000, -0.0017043700000000 ] - [ -0.0002278500000000, -0.0016219900000000, 0.0001526900000000 ] - [ -0.0005554800000000, 0.0046601200000000, 0.0018488200000000 ] - [ 0.0006249700000000, -0.0017352500000000, 0.0001061100000000 ] - [ -0.0000346700000000, 0.0018394600000000, 0.0015408500000000 ] - [ 0.0004394900000000, -0.0015539200000000, -0.0001580600000000 ] - [ -0.0004580900000000, -0.0008944300000000, -0.0003072700000000 ] - [ -0.0001810400000000, -0.0008637700000000, 0.0002932700000000 ] - [ -0.0126685900000000, -0.0234662200000000, 0.0182905700000000 ] - [ -0.0002834900000000, -0.0022472900000000, 0.0005358800000000 ] - [ 0.0016377800000000, -0.0037844900000000, -0.0025946500000000 ] - [ -0.0000258300000000, -0.0041950900000000, -0.0005268800000000 ] - [ 0.0006459300000000, 0.0015602200000000, 0.0020249700000000 ] - [ 0.0000544400000000, -0.0010452000000000, -0.0000940600000000 ] - [ -0.0005925400000000, 0.0002328900000000, -0.0003209900000000 ] - [ 0.0000824600000000, -0.0006667300000000, -0.0002697200000000 ] - [ 0.0919312800000000, 0.2761150600000000, -0.1312223700000000 ] - [ -0.0002476300000000, -0.0022855400000000, 0.0005581700000000 ] - [ 0.0040295900000000, -0.0303729300000000, 0.0021223000000000 ] - [ 0.0004499800000000, -0.0023697100000000, -0.0006966700000000 ] - [ 0.0006458200000000, 0.0054344000000000, 0.0009824400000000 ] - [ -0.0003613500000000, -0.0018857000000000, -0.0004720100000000 ] - [ -0.0019180000000000, 0.0014853700000000, -0.0012078800000000 ] - [ 0.0004011500000000, -0.0017365400000000, 0.0005019000000000 ] - [ 0.0100635600000000, -0.0044409000000000, -0.0008868600000000 ] - [ -0.0003735800000000, -0.0021352800000000, -0.0005870100000000 ] - [ -0.0015598000000000, -0.0024192300000000, 0.0002885600000000 ] - [ 0.0008603500000000, -0.0025492400000000, 0.0005000700000000 ] - [ -0.0006020200000000, 0.0019491500000000, 0.0004051800000000 ] - [ -0.0003765000000000, -0.0010159500000000, -0.0000358500000000 ] - [ 0.0005881000000000, -0.0029314100000000, -0.0017104000000000 ] - [ -0.0000410600000000, -0.0015409800000000, 0.0001584100000000 ] - [ -0.0042031600000000, -0.0014823000000000, -0.0005279400000000 ] - [ 0.0006284700000000, -0.0010158300000000, 0.0001690200000000 ] - [ -0.0181407500000000, -0.0023771500000000, 0.0112627100000000 ] - [ 0.0004157500000000, -0.0010689400000000, 0.0000161000000000 ] - [ -0.0000028000000000, 0.0024209400000000, -0.0005988500000000 ] - [ 0.0002149100000000, -0.0016702500000000, 0.0004798600000000 ] - [ -0.0002525700000000, -0.0010454900000000, -0.0003258800000000 ] - [ -0.0004351100000000, -0.0010742900000000, -0.0004049700000000 ] - [ -0.0025105800000000, 0.0048196300000000, -0.0015030700000000 ] - [ 0.0003211800000000, -0.0018487100000000, 0.0004463300000000 ] - [ -0.0021619600000000, 0.0001282200000000, 0.0000364700000000 ] - [ -0.0001920800000000, -0.0016304600000000, -0.0004141200000000 ] - [ -0.0023899600000000, 0.0082025800000000, 0.0007221600000000 ] - [ 0.0002632900000000, -0.0021882500000000, -0.0005628400000000 ] - [ 0.0030049200000000, 0.0023435500000000, -0.0010408300000000 ] - [ -0.0005625000000000, -0.0021106700000000, 0.0004869800000000 ] - [ 0.0013923800000000, -0.0002033400000000, -0.0007936700000000 ] - [ -0.0003650700000000, -0.0008974100000000, 0.0006389500000000 ] - [ -0.0022711900000000, 0.0017045200000000, 0.0025933900000000 ] - [ -0.0000472800000000, -0.0010546700000000, 0.0001258500000000 ] - [ 0.0013762800000000, -0.0024395300000000, 0.0010698700000000 ] - [ -0.0007421400000000, -0.0023120600000000, -0.0000116400000000 ] - [ -0.0063266200000000, -0.0038118900000000, -0.0048485200000000 ] - [ 0.0004923400000000, -0.0021789200000000, -0.0005599400000000 ] - [ 0.0008140300000000, 0.0022413500000000, 0.0000614400000000 ] - [ -0.0004758300000000, -0.0015536400000000, 0.0001581200000000 ] - [ 0.0003358800000000, -0.0009232100000000, 0.0000687300000000 ] - [ 0.0005442700000000, -0.0007794500000000, 0.0000296400000000 ] - [ 0.0019162100000000, 0.0041625300000000, 0.0007193600000000 ] - [ -0.0006164200000000, -0.0017117200000000, -0.0001067200000000 ] - [ 0.0012641500000000, 0.0002471900000000, 0.0008400600000000 ] - [ 0.0002820600000000, -0.0015265800000000, -0.0000125700000000 ] - [ 0.0086435800000000, -0.0015938300000000, 0.0180085000000000 ] - [ -0.0001952100000000, -0.0011702100000000, -0.0000539000000000 ] - [ 0.0002255300000000, -0.0007206700000000, 0.0004832400000000 ] - [ 0.0000207400000000, -0.0002443600000000, -0.0017997700000000 ]- atom: 67 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0045108600000000, -0.0045766200000000, 0.0107412100000000 ] - [ -0.0000454400000000, 0.0005525600000000, 0.0000993100000000 ] - [ -0.0002666400000000, -0.0000646000000000, 0.0013232200000000 ] - [ -0.0007517100000000, 0.0006901400000000, 0.0001755200000000 ] - [ 0.0014935700000000, -0.0002152100000000, 0.0017631300000000 ] - [ 0.0000029000000000, 0.0005511800000000, -0.0000434000000000 ] - [ 0.0006116500000000, 0.0004473100000000, 0.0007281000000000 ] - [ 0.0000816700000000, 0.0003695400000000, 0.0000569800000000 ] - [ -0.0000247600000000, -0.0044508800000000, -0.0075017800000000 ] - [ -0.0001785600000000, 0.0008496300000000, -0.0001401300000000 ] - [ -0.0007806300000000, 0.0002468300000000, -0.0014984100000000 ] - [ -0.0001273800000000, 0.0007465800000000, -0.0002295100000000 ] - [ -0.0002210500000000, 0.0005712300000000, -0.0001384400000000 ] - [ -0.0005774600000000, 0.0002907800000000, -0.0002617500000000 ] - [ 0.0032718900000000, -0.0028948300000000, 0.0024409300000000 ] - [ 0.0000735000000000, 0.0007184400000000, 0.0000267800000000 ] - [ 0.0010325400000000, 0.0015697500000000, 0.0019623200000000 ] - [ 0.0003093500000000, 0.0002898300000000, 0.0000704500000000 ] - [ -0.0474899600000000, -0.0312781900000000, 0.0180890400000000 ] - [ -0.0000277100000000, 0.0009683800000000, 0.0000964200000000 ] - [ -0.0022956300000000, 0.0002471600000000, 0.0018392200000000 ] - [ 0.0001802400000000, 0.0012327300000000, 0.0012798900000000 ] - [ 0.0002099000000000, 0.0006747200000000, -0.0002110900000000 ] - [ 0.0000180200000000, 0.0000263300000000, -0.0016444900000000 ] - [ -0.0079708900000000, -0.0022716500000000, -0.0060806000000000 ] - [ 0.0001812600000000, 0.0006931900000000, 0.0000516100000000 ] - [ 0.0004399800000000, -0.0002110800000000, -0.0005019300000000 ] - [ 0.0000205000000000, 0.0000634400000000, -0.0001003400000000 ] - [ 0.0000598300000000, 0.0004226300000000, 0.0001242900000000 ] - [ 0.0047129800000000, 0.0072416000000000, -0.0027234900000000 ] - [ 0.0020504000000000, -0.0013333000000000, -0.0009059900000000 ] - [ 0.0000925500000000, 0.0007585600000000, 0.0003852700000000 ] - [ -0.0271972800000000, -0.0756414200000000, 0.0862470600000000 ] - [ -0.0002949100000000, 0.0010725100000000, 0.0001799300000000 ] - [ 0.0000678300000000, 0.0006867400000000, -0.0000231000000000 ] - [ 0.0023400800000000, -0.0000363800000000, 0.0007043200000000 ] - [ 0.0001003500000000, 0.0013009600000000, 0.0000664300000000 ] - [ -0.0003546800000000, -0.0022119100000000, -0.0003727400000000 ] - [ 0.0063522900000000, -0.0070152400000000, 0.0009391700000000 ] - [ 0.0003493800000000, 0.0011223500000000, -0.0000838300000000 ] - [ 0.0153056200000000, -0.0028111900000000, -0.0054252600000000 ] - [ -0.0000509100000000, 0.0007360100000000, -0.0004454100000000 ] - [ -0.0001797900000000, 0.0010694400000000, -0.0002197700000000 ] - [ -0.0009925200000000, -0.0005010600000000, 0.0002927400000000 ] - [ -0.0030539900000000, 0.0005837700000000, -0.0044938400000000 ] - [ -0.0000112600000000, 0.0008926800000000, -0.0000593500000000 ] - [ -0.0001632400000000, -0.0001163100000000, 0.0000917100000000 ] - [ -0.0012897600000000, -0.0010469300000000, 0.0026808000000000 ] - [ -0.0041084500000000, 0.0043016000000000, 0.0031587900000000 ] - [ 0.0001105900000000, -0.0003994300000000, -0.0000447000000000 ] - [ 0.0009640000000000, 0.0017699100000000, 0.0010338900000000 ] - [ 0.0000179900000000, -0.0005772200000000, 0.0000925200000000 ] - [ 0.0019430700000000, -0.0001627200000000, 0.0077351400000000 ] - [ 0.0003005900000000, -0.0005763900000000, 0.0000474000000000 ] - [ 0.0013153600000000, -0.0004411900000000, 0.0009638500000000 ] - [ 0.0000770800000000, -0.0004612300000000, -0.0000283700000000 ] - [ 0.0001606800000000, -0.0001243300000000, 0.0001358400000000 ] - [ 0.0001043000000000, -0.0004164800000000, 0.0001579000000000 ] - [ -0.0076080100000000, -0.0218345000000000, 0.0102814900000000 ] - [ -0.0001049800000000, -0.0005441500000000, 0.0001998200000000 ] - [ 0.0003737600000000, -0.0003285200000000, -0.0004162600000000 ] - [ 0.0000274400000000, -0.0033544600000000, -0.0007014300000000 ] - [ 0.0005041300000000, 0.0005172800000000, 0.0025653800000000 ] - [ 0.0000502600000000, -0.0003355500000000, -0.0001260200000000 ] - [ -0.0005677900000000, 0.0000873200000000, -0.0002475100000000 ] - [ -0.0000182300000000, -0.0002047000000000, -0.0002949800000000 ] - [ 0.0965865500000000, 0.1599904100000000, -0.1412066900000000 ] - [ -0.0000335800000000, -0.0007811100000000, 0.0001526000000000 ] - [ 0.0033517600000000, -0.0011916600000000, -0.0058371800000000 ] - [ 0.0003057900000000, -0.0007387200000000, -0.0004359200000000 ] - [ 0.0002551900000000, 0.0009209200000000, -0.0014211600000000 ] - [ -0.0001174700000000, -0.0005777500000000, -0.0001382400000000 ] - [ -0.0006996800000000, 0.0004890400000000, -0.0009739900000000 ] - [ 0.0000497000000000, -0.0003036500000000, -0.0000324000000000 ] - [ -0.0010519700000000, 0.0040823400000000, -0.0019939600000000 ] - [ -0.0000600600000000, -0.0006808200000000, -0.0002244300000000 ] - [ -0.0000040300000000, -0.0009420100000000, -0.0002062700000000 ] - [ 0.0000636600000000, 0.0004238800000000, -0.0001842400000000 ] - [ -0.0036403900000000, 0.0010891500000000, 0.0006552200000000 ] - [ -0.0004011700000000, -0.0003111000000000, -0.0000515800000000 ] - [ 0.0008722900000000, 0.0006728100000000, -0.0005233100000000 ] - [ 0.0001273100000000, -0.0004223400000000, -0.0001091500000000 ] - [ -0.0033386900000000, -0.0012785700000000, -0.0005246400000000 ] - [ -0.0000870900000000, -0.0001917700000000, 0.0000781200000000 ] - [ -0.0243953000000000, -0.0149195900000000, 0.0127901000000000 ] - [ 0.0003716700000000, -0.0003007200000000, 0.0000468800000000 ] - [ -0.0014579000000000, 0.0005849000000000, -0.0005158100000000 ] - [ -0.0000142500000000, -0.0005059800000000, 0.0001357400000000 ] - [ -0.0003730900000000, -0.0006240000000000, -0.0003767700000000 ] - [ -0.0005086600000000, -0.0004957700000000, -0.0002992400000000 ] - [ -0.0039038500000000, 0.0025909500000000, -0.0008939400000000 ] - [ 0.0000930800000000, -0.0005696300000000, 0.0001259300000000 ] - [ -0.0038217100000000, -0.0016171300000000, -0.0006220400000000 ] - [ -0.0001177800000000, -0.0003423600000000, -0.0000344900000000 ] - [ -0.0104771300000000, 0.0016632300000000, -0.0036127300000000 ] - [ 0.0000482100000000, -0.0007935300000000, -0.0002117100000000 ] - [ 0.0004058100000000, 0.0025024300000000, -0.0020026700000000 ] - [ -0.0002486100000000, -0.0006409300000000, 0.0000021200000000 ] - [ -0.0002888700000000, 0.0005278800000000, 0.0011763300000000 ] - [ -0.0000593900000000, -0.0003819700000000, 0.0004074200000000 ] - [ -0.0029078500000000, 0.0009322000000000, 0.0054575800000000 ] - [ -0.0000621100000000, -0.0003547100000000, 0.0001975900000000 ] - [ 0.0002965300000000, -0.0004083400000000, -0.0003564400000000 ] - [ 0.0001073500000000, 0.0000337000000000, -0.0004975200000000 ] - [ 0.0012371000000000, 0.0000560700000000, -0.0028145900000000 ] - [ 0.0001817000000000, -0.0007019600000000, -0.0002799600000000 ] - [ 0.0003520400000000, 0.0001661300000000, 0.0013039300000000 ] - [ -0.0000827000000000, -0.0005263800000000, 0.0000829400000000 ] - [ 0.0002526100000000, -0.0005968900000000, 0.0004101600000000 ] - [ 0.0002084500000000, -0.0003123400000000, 0.0002569600000000 ] - [ 0.0024937900000000, 0.0021064200000000, 0.0016878100000000 ] - [ -0.0002773600000000, -0.0005414300000000, -0.0000122600000000 ] - [ 0.0021467000000000, -0.0008069200000000, 0.0011615700000000 ] - [ 0.0001208800000000, -0.0004003200000000, 0.0001105700000000 ] - [ 0.0138704900000000, -0.0130680000000000, 0.0160417200000000 ] - [ -0.0001497900000000, -0.0003363600000000, -0.0000039400000000 ] - [ 0.0002209000000000, -0.0002509800000000, 0.0001206200000000 ] - [ 0.0005179000000000, 0.0001578000000000, 0.0001314200000000 ]- atom: 67 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0047012100000000, 0.0044587800000000, -0.0104683600000000 ] - [ 0.0000195400000000, -0.0004978600000000, 0.0000156300000000 ] - [ 0.0002497800000000, 0.0000113200000000, -0.0012777800000000 ] - [ 0.0007249100000000, -0.0007464300000000, -0.0001384000000000 ] - [ -0.0014777900000000, 0.0002714300000000, -0.0018948400000000 ] - [ 0.0000305000000000, -0.0005037300000000, -0.0000830200000000 ] - [ -0.0006014500000000, -0.0005061900000000, -0.0007457900000000 ] - [ -0.0000681400000000, -0.0004249200000000, -0.0000790100000000 ] - [ -0.0003474300000000, 0.0044720900000000, 0.0074127800000000 ] - [ -0.0001861400000000, -0.0008110900000000, 0.0000646200000000 ] - [ 0.0007775000000000, 0.0000776000000000, 0.0014998900000000 ] - [ 0.0001260200000000, -0.0004166500000000, 0.0002289600000000 ] - [ 0.0000448900000000, -0.0005590400000000, 0.0001213800000000 ] - [ 0.0003964300000000, -0.0002741500000000, 0.0002455400000000 ] - [ -0.0032633900000000, 0.0026452600000000, -0.0024593800000000 ] - [ -0.0000736000000000, -0.0009892000000000, -0.0000261300000000 ] - [ -0.0010314300000000, -0.0018971700000000, -0.0019756200000000 ] - [ -0.0003078000000000, -0.0006033600000000, -0.0000705200000000 ] - [ 0.0467338800000000, 0.0306986400000000, -0.0185886000000000 ] - [ 0.0000276200000000, -0.0007705300000000, -0.0000962100000000 ] - [ 0.0022591900000000, -0.0004669000000000, -0.0018340200000000 ] - [ -0.0001797400000000, -0.0014658000000000, -0.0012725300000000 ] - [ -0.0000328900000000, -0.0006647700000000, 0.0002296900000000 ] - [ 0.0001610300000000, -0.0000075700000000, 0.0016547300000000 ] - [ 0.0083209800000000, 0.0023133400000000, 0.0061524300000000 ] - [ 0.0001834200000000, -0.0006555900000000, 0.0000243900000000 ] - [ -0.0004382300000000, 0.0001622600000000, 0.0005016800000000 ] - [ -0.0000215900000000, -0.0001144200000000, 0.0001018500000000 ] - [ -0.0000114200000000, -0.0004087500000000, 0.0002929000000000 ] - [ -0.0046584600000000, -0.0072370800000000, 0.0031449900000000 ] - [ -0.0020031100000000, 0.0013371500000000, 0.0016219000000000 ] - [ -0.0000500700000000, -0.0007689200000000, 0.0003278600000000 ] - [ 0.0268378600000000, 0.0797486000000000, -0.0877493600000000 ] - [ -0.0001623800000000, -0.0008179200000000, -0.0000215800000000 ] - [ -0.0002599000000000, -0.0006510100000000, -0.0001638200000000 ] - [ -0.0025245600000000, 0.0000739900000000, -0.0008891100000000 ] - [ 0.0000935700000000, -0.0012617500000000, 0.0001182600000000 ] - [ 0.0005506300000000, 0.0022366200000000, 0.0005497300000000 ] - [ -0.0058746800000000, 0.0072802900000000, -0.0010606900000000 ] - [ 0.0001076700000000, -0.0008668400000000, -0.0000739600000000 ] - [ -0.0154124000000000, 0.0028175700000000, 0.0047244400000000 ] - [ 0.0000078700000000, -0.0007459000000000, -0.0002681700000000 ] - [ 0.0001279600000000, -0.0010563700000000, -0.0001979200000000 ] - [ 0.0009528800000000, 0.0004863800000000, -0.0007258800000000 ] - [ 0.0030392900000000, -0.0005063300000000, 0.0044849300000000 ] - [ 0.0000106900000000, -0.0008322400000000, 0.0000593800000000 ] - [ -0.0001111300000000, 0.0001897500000000, -0.0001332500000000 ] - [ 0.0010127900000000, 0.0011163900000000, -0.0027142500000000 ] - [ 0.0043341800000000, -0.0042768600000000, -0.0032224900000000 ] - [ 0.0001672300000000, 0.0003883000000000, -0.0000423700000000 ] - [ -0.0009336800000000, -0.0016784400000000, -0.0011929700000000 ] - [ 0.0000080600000000, 0.0006605800000000, -0.0002465000000000 ] - [ -0.0016637900000000, 0.0000855000000000, -0.0077215800000000 ] - [ -0.0000426400000000, 0.0005133500000000, -0.0000874400000000 ] - [ -0.0015208900000000, 0.0004506700000000, -0.0009814000000000 ] - [ -0.0002887700000000, 0.0004779900000000, 0.0000132300000000 ] - [ -0.0003107400000000, 0.0000822400000000, -0.0001336600000000 ] - [ -0.0002547600000000, 0.0003718300000000, -0.0001542300000000 ] - [ 0.0074934400000000, 0.0214397000000000, -0.0100242400000000 ] - [ 0.0000268700000000, 0.0003721000000000, -0.0000067600000000 ] - [ -0.0004171600000000, 0.0005188200000000, 0.0006459000000000 ] - [ -0.0000743600000000, 0.0035364600000000, 0.0009336200000000 ] - [ -0.0003953200000000, -0.0006139800000000, -0.0027896100000000 ] - [ 0.0000581600000000, 0.0002409000000000, -0.0000963000000000 ] - [ 0.0005364700000000, -0.0000563100000000, -0.0003792900000000 ] - [ -0.0000117700000000, 0.0002359400000000, -0.0003337100000000 ] - [ -0.0960733300000000, -0.1634489300000000, 0.1433591300000000 ] - [ 0.0000760300000000, 0.0004101400000000, -0.0000922500000000 ] - [ -0.0033222500000000, 0.0012314200000000, 0.0058533700000000 ] - [ -0.0002679900000000, 0.0008655200000000, 0.0004244800000000 ] - [ -0.0003002500000000, -0.0010014800000000, 0.0014568700000000 ] - [ 0.0000940400000000, 0.0005070900000000, 0.0001788500000000 ] - [ 0.0006442300000000, -0.0002987200000000, 0.0008359700000000 ] - [ -0.0001028200000000, 0.0004957900000000, -0.0001106300000000 ] - [ 0.0011077600000000, -0.0040472200000000, 0.0019664200000000 ] - [ 0.0001408000000000, 0.0007068300000000, 0.0001761700000000 ] - [ -0.0000822600000000, 0.0008810400000000, 0.0001202700000000 ] - [ -0.0001436500000000, -0.0004802300000000, 0.0000958500000000 ] - [ 0.0030211200000000, -0.0011228800000000, -0.0007882100000000 ] - [ -0.0002126400000000, 0.0002836500000000, -0.0000770400000000 ] - [ -0.0008351200000000, -0.0006935300000000, 0.0003306400000000 ] - [ -0.0000857800000000, 0.0003914100000000, -0.0000873400000000 ] - [ 0.0032868300000000, 0.0012472500000000, 0.0007174700000000 ] - [ 0.0000462400000000, 0.0001623000000000, 0.0001203200000000 ] - [ 0.0253234200000000, 0.0151863000000000, -0.0128295000000000 ] - [ 0.0002412300000000, 0.0002739100000000, 0.0000822000000000 ] - [ 0.0013745300000000, -0.0005611900000000, 0.0005646200000000 ] - [ -0.0000677200000000, 0.0005325200000000, -0.0000862000000000 ] - [ 0.0004537000000000, 0.0005680600000000, 0.0004670600000000 ] - [ 0.0005872400000000, 0.0004340100000000, 0.0003846300000000 ] - [ 0.0039411600000000, -0.0026778000000000, 0.0008622900000000 ] - [ -0.0000681500000000, 0.0004991900000000, -0.0001681700000000 ] - [ 0.0039015200000000, 0.0018250000000000, 0.0007750400000000 ] - [ 0.0001683600000000, 0.0005343900000000, 0.0001791800000000 ] - [ 0.0104047900000000, -0.0020470100000000, 0.0034933800000000 ] - [ -0.0000923000000000, 0.0004222600000000, 0.0001519700000000 ] - [ -0.0004367100000000, -0.0023723700000000, 0.0020075400000000 ] - [ 0.0002124000000000, 0.0007680400000000, 0.0000074100000000 ] - [ 0.0003146200000000, -0.0004979900000000, -0.0005405700000000 ] - [ 0.0000880800000000, 0.0004128800000000, 0.0002236300000000 ] - [ 0.0028118500000000, -0.0010284900000000, -0.0052467600000000 ] - [ -0.0000461100000000, 0.0002598200000000, 0.0000258300000000 ] - [ -0.0002426000000000, 0.0006035300000000, 0.0001219300000000 ] - [ -0.0000599800000000, 0.0001721300000000, 0.0002569000000000 ] - [ -0.0011341500000000, -0.0001968900000000, 0.0026375700000000 ] - [ -0.0001036700000000, 0.0005292400000000, 0.0000885900000000 ] - [ -0.0001396900000000, -0.0001582000000000, -0.0012819800000000 ] - [ 0.0002927600000000, 0.0005430800000000, -0.0000678800000000 ] - [ -0.0001007500000000, 0.0005564900000000, -0.0004139900000000 ] - [ -0.0000551400000000, 0.0002673000000000, -0.0002579700000000 ] - [ -0.0027451500000000, -0.0021745700000000, -0.0016390900000000 ] - [ 0.0000197800000000, 0.0004782700000000, 0.0000542100000000 ] - [ -0.0021740600000000, 0.0008946000000000, -0.0010090000000000 ] - [ -0.0001465800000000, 0.0004849600000000, 0.0000447200000000 ] - [ -0.0143025000000000, 0.0131957900000000, -0.0160466000000000 ] - [ -0.0001283900000000, 0.0003253500000000, 0.0000911800000000 ] - [ 0.0000535600000000, 0.0003239200000000, -0.0000792200000000 ] - [ -0.0002471800000000, -0.0000837200000000, -0.0000832800000000 ]- atom: 69 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0003883700000000, 0.0012337100000000, -0.0007316900000000 ] - [ 0.0006218800000000, 0.0001401200000000, -0.0001650400000000 ] - [ 0.0105406100000000, -0.0023696700000000, 0.0004643900000000 ] - [ 0.0000406000000000, 0.0002320500000000, -0.0000171900000000 ] - [ -0.0014552000000000, -0.0002245300000000, -0.0004320400000000 ] - [ -0.0004620800000000, 0.0004271700000000, -0.0001302500000000 ] - [ -0.0047776300000000, 0.0006449300000000, -0.0029067500000000 ] - [ -0.0000505000000000, 0.0002112400000000, -0.0000215800000000 ] - [ 0.0021233000000000, -0.0000327200000000, 0.0035748500000000 ] - [ -0.0001615400000000, 0.0003900900000000, 0.0000522000000000 ] - [ -0.0007331100000000, -0.0001554500000000, -0.0016235600000000 ] - [ -0.0000123700000000, 0.0004963300000000, 0.0000038500000000 ] - [ -0.0007801600000000, -0.0005951800000000, -0.0009422700000000 ] - [ -0.0001249300000000, 0.0002623200000000, -0.0001228700000000 ] - [ -0.0012853900000000, 0.0020044900000000, -0.0011811400000000 ] - [ -0.0006611600000000, -0.0002931100000000, -0.0000741300000000 ] - [ -0.0080147000000000, -0.0030758100000000, 0.0002563500000000 ] - [ -0.0000764800000000, 0.0002493200000000, -0.0000215300000000 ] - [ 0.0026578800000000, -0.0010080800000000, -0.0000308100000000 ] - [ 0.0002097900000000, 0.0011935400000000, -0.0000417000000000 ] - [ 0.0999147700000000, -0.0570973600000000, -0.0036670100000000 ] - [ 0.0000539600000000, 0.0002574000000000, 0.0000096200000000 ] - [ -0.0002289000000000, -0.0001652000000000, 0.0011521300000000 ] - [ -0.0000318300000000, 0.0003871200000000, 0.0001703900000000 ] - [ -0.0020740000000000, -0.0006961400000000, -0.0034555600000000 ] - [ 0.0001903200000000, 0.0003936500000000, -0.0000430700000000 ] - [ 0.0000534500000000, -0.0000048100000000, 0.0000538000000000 ] - [ 0.0000859900000000, -0.0000681700000000, 0.0002543600000000 ] - [ -0.0021202200000000, 0.0038261700000000, 0.0022607400000000 ] - [ 0.0001206300000000, 0.0002214200000000, 0.0003277300000000 ] - [ -0.0055126900000000, 0.0037331200000000, -0.0027818300000000 ] - [ -0.0001150800000000, 0.0002395400000000, 0.0002891900000000 ] - [ 0.0409454800000000, -0.0192384200000000, -0.0078575800000000 ] - [ -0.0000717800000000, 0.0006012000000000, 0.0000246500000000 ] - [ -0.0024389000000000, 0.0000557600000000, -0.0003374100000000 ] - [ -0.0003456500000000, 0.0003891000000000, -0.0002141500000000 ] - [ 0.0032617700000000, -0.0053845000000000, 0.0035166100000000 ] - [ 0.0003076700000000, 0.0009810300000000, 0.0003064900000000 ] - [ -0.0051375200000000, -0.0111989400000000, 0.0061829900000000 ] - [ 0.0001016700000000, 0.0007065300000000, 0.0000322500000000 ] - [ -0.0135784300000000, -0.0017590400000000, 0.0034400100000000 ] - [ 0.0000152800000000, 0.0002615700000000, -0.0002879400000000 ] - [ 0.0041950000000000, 0.0047642900000000, -0.0023226400000000 ] - [ 0.0003237200000000, 0.0000615700000000, -0.0001837100000000 ] - [ -0.0007168500000000, -0.0001709900000000, -0.0005083000000000 ] - [ 0.0000711000000000, 0.0001925300000000, -0.0000848500000000 ] - [ 0.0004044900000000, -0.0004556100000000, -0.0016461400000000 ] - [ -0.0001495500000000, -0.0000543300000000, -0.0000980100000000 ] - [ -0.0002213700000000, 0.0025151100000000, -0.0038394400000000 ] - [ 0.0001368400000000, -0.0002224600000000, -0.0001135900000000 ] - [ -0.0015578700000000, 0.0007595500000000, 0.0014155500000000 ] - [ -0.0000598000000000, -0.0001993100000000, -0.0000933700000000 ] - [ -0.0000519100000000, -0.0001520800000000, 0.0000168000000000 ] - [ 0.0000919500000000, -0.0002595100000000, -0.0000848300000000 ] - [ -0.0000349200000000, -0.0001059600000000, 0.0002744700000000 ] - [ -0.0001168600000000, 0.0001033800000000, 0.0001205700000000 ] - [ -0.0000464400000000, 0.0008033200000000, 0.0013469700000000 ] - [ -0.0001315800000000, -0.0002363400000000, 0.0000289400000000 ] - [ -0.0005479700000000, -0.0004142400000000, 0.0003835800000000 ] - [ -0.0002638000000000, -0.0017317100000000, 0.0002900600000000 ] - [ -0.0002688000000000, -0.0091292100000000, -0.0061400000000000 ] - [ -0.0000137400000000, -0.0001357000000000, 0.0000474300000000 ] - [ 0.0006394700000000, -0.0004887500000000, 0.0023277200000000 ] - [ 0.0000529300000000, -0.0001685000000000, -0.0000461100000000 ] - [ 0.0000403300000000, -0.0001210600000000, -0.0002363800000000 ] - [ 0.0007265600000000, 0.0002115800000000, -0.0001650800000000 ] - [ -0.0078945000000000, -0.0041452400000000, -0.0006354000000000 ] - [ -0.0003189100000000, -0.0006163500000000, 0.0001706500000000 ] - [ -0.1769429900000000, 0.0983351600000000, 0.0187377600000000 ] - [ 0.0000128000000000, -0.0002273300000000, -0.0000735700000000 ] - [ 0.0013059800000000, -0.0009150100000000, 0.0010421300000000 ] - [ 0.0000432500000000, -0.0000236700000000, 0.0001152500000000 ] - [ 0.0076049800000000, -0.0012481400000000, 0.0038784900000000 ] - [ 0.0000310100000000, -0.0001344500000000, 0.0000126300000000 ] - [ -0.0001551200000000, -0.0008575300000000, -0.0000266900000000 ] - [ -0.0002123800000000, 0.0016439000000000, 0.0000132600000000 ] - [ 0.0051457600000000, 0.0103189200000000, -0.0014787800000000 ] - [ -0.0000003400000000, -0.0004553000000000, 0.0000484900000000 ] - [ 0.0053781700000000, 0.0009529500000000, -0.0017622300000000 ] - [ -0.0001571100000000, -0.0001536100000000, -0.0001052700000000 ] - [ -0.0003183600000000, -0.0002144700000000, -0.0002123300000000 ] - [ -0.0032255200000000, -0.0000414800000000, -0.0007272900000000 ] - [ 0.0000405800000000, -0.0000520700000000, 0.0000804300000000 ] - [ 0.0015592500000000, -0.0007773500000000, -0.0000049200000000 ] - [ 0.0203031500000000, -0.0156533300000000, -0.0169031200000000 ] - [ 0.0002124500000000, -0.0001237200000000, 0.0000840400000000 ] - [ 0.0005602800000000, -0.0004989700000000, 0.0003029400000000 ] - [ 0.0005533100000000, -0.0002393000000000, 0.0001673300000000 ] - [ 0.0031910400000000, 0.0001363700000000, -0.0000024500000000 ] - [ 0.0000583600000000, -0.0002933600000000, 0.0000021000000000 ] - [ 0.0037235600000000, -0.0017990200000000, 0.0006469500000000 ] - [ 0.0001767600000000, -0.0001514200000000, -0.0000095800000000 ] - [ 0.0044646100000000, 0.0017465700000000, 0.0002337200000000 ] - [ 0.0000059900000000, -0.0001363900000000, 0.0000040600000000 ] - [ -0.0001250800000000, 0.0028286400000000, 0.0003747500000000 ] - [ 0.0001918600000000, -0.0007303000000000, -0.0001779300000000 ] - [ 0.0190676200000000, 0.0029338400000000, -0.0026426000000000 ] - [ -0.0000369200000000, -0.0002438700000000, 0.0000736000000000 ] - [ 0.0000380000000000, -0.0002847600000000, 0.0001662700000000 ] - [ 0.0001453600000000, 0.0008982500000000, -0.0013518400000000 ] - [ 0.0021047800000000, 0.0002111700000000, -0.0037862700000000 ] - [ -0.0000389900000000, -0.0001757000000000, 0.0000529000000000 ] - [ 0.0019259500000000, -0.0072280400000000, 0.0043150900000000 ] - [ -0.0000636500000000, -0.0000636100000000, -0.0000657500000000 ] - [ -0.0003429300000000, 0.0001880500000000, -0.0000338400000000 ] - [ -0.0002958900000000, -0.0017249000000000, -0.0002286700000000 ] - [ 0.0004033000000000, -0.0001014700000000, -0.0001106300000000 ] - [ 0.0001906500000000, -0.0000358900000000, -0.0000351000000000 ] - [ 0.0007831100000000, 0.0002556800000000, 0.0003028800000000 ] - [ 0.0001810100000000, -0.0002649800000000, -0.0000211300000000 ] - [ 0.0007601300000000, 0.0006676600000000, 0.0005056400000000 ] - [ -0.0001220300000000, -0.0002657300000000, 0.0001337800000000 ] - [ 0.0010883900000000, 0.0002918600000000, 0.0019826300000000 ] - [ 0.0000626700000000, -0.0001993600000000, 0.0000992800000000 ] - [ -0.0043282200000000, 0.0077293900000000, 0.0094520100000000 ] - [ -0.0001765900000000, -0.0002074500000000, 0.0000838200000000 ] - [ -0.0005055400000000, -0.0004155000000000, 0.0012666200000000 ] - [ 0.0000628300000000, 0.0000233100000000, 0.0000707700000000 ]- atom: 69 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0003917400000000, -0.0011919400000000, 0.0008651000000000 ] - [ -0.0006483400000000, -0.0000938500000000, 0.0002756500000000 ] - [ -0.0104829900000000, 0.0025159800000000, -0.0001427200000000 ] - [ -0.0000646800000000, -0.0002915000000000, 0.0000520100000000 ] - [ 0.0014807000000000, 0.0002724300000000, 0.0003158500000000 ] - [ 0.0004967600000000, -0.0003864700000000, 0.0000077700000000 ] - [ 0.0048133300000000, -0.0007052800000000, 0.0029213600000000 ] - [ 0.0000660800000000, -0.0002671600000000, 0.0000028300000000 ] - [ -0.0025103100000000, 0.0000772300000000, -0.0036516900000000 ] - [ -0.0002046000000000, -0.0003575000000000, -0.0001276200000000 ] - [ 0.0007380900000000, 0.0005000800000000, 0.0016275500000000 ] - [ 0.0000120100000000, -0.0001725100000000, -0.0000034900000000 ] - [ 0.0006094300000000, 0.0006071100000000, 0.0009267300000000 ] - [ -0.0000513000000000, -0.0002542000000000, 0.0001071300000000 ] - [ 0.0012951800000000, -0.0022654400000000, 0.0011840900000000 ] - [ 0.0006609100000000, 0.0000133500000000, 0.0000749900000000 ] - [ 0.0080050900000000, 0.0027565100000000, -0.0002467100000000 ] - [ 0.0000774500000000, -0.0005679000000000, 0.0000215400000000 ] - [ -0.0027263500000000, 0.0011801500000000, 0.0000449600000000 ] - [ -0.0002101200000000, -0.0010048300000000, 0.0000417400000000 ] - [ -0.1044864600000000, 0.0610556500000000, 0.0040302000000000 ] - [ -0.0000549800000000, -0.0004984100000000, -0.0000091700000000 ] - [ 0.0004015700000000, 0.0001767000000000, -0.0011372900000000 ] - [ 0.0002096300000000, -0.0003789300000000, -0.0001556100000000 ] - [ 0.0023731400000000, 0.0007638300000000, 0.0034801500000000 ] - [ 0.0001763100000000, -0.0003609200000000, 0.0001191900000000 ] - [ -0.0000540600000000, -0.0000452400000000, -0.0000536300000000 ] - [ -0.0000871100000000, 0.0000181200000000, -0.0002541200000000 ] - [ 0.0021708700000000, -0.0038151500000000, -0.0018472500000000 ] - [ -0.0000740300000000, -0.0002215800000000, 0.0000931900000000 ] - [ 0.0055671300000000, -0.0037095400000000, 0.0034693500000000 ] - [ 0.0001555200000000, -0.0002570800000000, 0.0004256700000000 ] - [ -0.0417973700000000, 0.0200902900000000, 0.0084965800000000 ] - [ -0.0003905100000000, -0.0003546800000000, 0.0001326100000000 ] - [ 0.0022495800000000, -0.0000295700000000, 0.0001448700000000 ] - [ 0.0001532300000000, -0.0003514100000000, 0.0000229200000000 ] - [ -0.0030599400000000, 0.0054229100000000, -0.0033201300000000 ] - [ -0.0001110400000000, -0.0009526600000000, -0.0001183600000000 ] - [ 0.0056057000000000, 0.0115696500000000, -0.0063912700000000 ] - [ 0.0003602700000000, -0.0004590300000000, -0.0001898400000000 ] - [ 0.0135647400000000, 0.0017640900000000, -0.0041586800000000 ] - [ -0.0000558900000000, -0.0002783900000000, -0.0004274500000000 ] - [ -0.0042667200000000, -0.0047697700000000, 0.0019120600000000 ] - [ -0.0003772700000000, -0.0000626200000000, -0.0002386400000000 ] - [ 0.0007140500000000, 0.0002285200000000, 0.0005043500000000 ] - [ -0.0000711400000000, -0.0001360500000000, 0.0000844500000000 ] - [ -0.0006850600000000, 0.0005315900000000, 0.0016260100000000 ] - [ -0.0001278100000000, 0.0001305600000000, 0.0000679600000000 ] - [ 0.0005162100000000, -0.0025534800000000, 0.0037668400000000 ] - [ 0.0001426000000000, 0.0002136200000000, 0.0000165700000000 ] - [ 0.0015807400000000, -0.0006864900000000, -0.0015991600000000 ] - [ 0.0000863700000000, 0.0002884300000000, -0.0000655900000000 ] - [ 0.0003147900000000, 0.0000828300000000, -0.0000669800000000 ] - [ 0.0001659700000000, 0.0001977500000000, 0.0000399900000000 ] - [ -0.0001785400000000, 0.0001201400000000, -0.0002941800000000 ] - [ -0.0000960300000000, -0.0000885700000000, -0.0001409100000000 ] - [ -0.0001058200000000, -0.0008460400000000, -0.0013455500000000 ] - [ -0.0000176200000000, 0.0002017400000000, -0.0000293900000000 ] - [ 0.0004833900000000, 0.0002587500000000, -0.0002065600000000 ] - [ 0.0001893400000000, 0.0015684900000000, -0.0001005900000000 ] - [ 0.0002631800000000, 0.0093783100000000, 0.0064158900000000 ] - [ -0.0000302500000000, 0.0003408400000000, 0.0001892600000000 ] - [ -0.0005356700000000, 0.0003846000000000, -0.0025205900000000 ] - [ 0.0000518000000000, 0.0000756900000000, -0.0001786500000000 ] - [ -0.0000719300000000, 0.0001533700000000, -0.0003915800000000 ] - [ -0.0007616400000000, -0.0001782600000000, -0.0004651600000000 ] - [ 0.0079319500000000, 0.0039093200000000, 0.0006930600000000 ] - [ 0.0003615000000000, 0.0002477300000000, -0.0001097300000000 ] - [ 0.1819215600000000, -0.1033902200000000, -0.0197919600000000 ] - [ 0.0000235600000000, 0.0003605500000000, 0.0000662100000000 ] - [ -0.0013423500000000, 0.0008280100000000, -0.0010062300000000 ] - [ -0.0000670800000000, -0.0000449500000000, -0.0000747200000000 ] - [ -0.0075946600000000, 0.0014254500000000, -0.0039748400000000 ] - [ -0.0000863800000000, 0.0003313000000000, -0.0001573100000000 ] - [ 0.0002264800000000, 0.0008887100000000, -0.0000192900000000 ] - [ 0.0002939500000000, -0.0016097400000000, -0.0000609300000000 ] - [ -0.0051870600000000, -0.0102817700000000, 0.0013897800000000 ] - [ -0.0000788200000000, 0.0004026000000000, -0.0001372600000000 ] - [ -0.0060152300000000, -0.0010072300000000, 0.0016436700000000 ] - [ -0.0004591800000000, 0.0001270100000000, -0.0000295900000000 ] - [ 0.0003592100000000, 0.0001916800000000, 0.0000215400000000 ] - [ 0.0032736300000000, 0.0000114600000000, 0.0005359000000000 ] - [ -0.0000789700000000, 0.0000258700000000, 0.0001131400000000 ] - [ -0.0016021800000000, 0.0007536900000000, 0.0001993700000000 ] - [ -0.0195875800000000, 0.0154254800000000, 0.0168392600000000 ] - [ 0.0004032600000000, 0.0000977000000000, 0.0000508700000000 ] - [ -0.0006438300000000, 0.0005215000000000, -0.0002554600000000 ] - [ -0.0006372000000000, 0.0002700500000000, -0.0001194400000000 ] - [ -0.0031192500000000, -0.0001838900000000, 0.0000893700000000 ] - [ 0.0000215300000000, 0.0002377000000000, 0.0000849600000000 ] - [ -0.0036982700000000, 0.0017187700000000, -0.0006850100000000 ] - [ -0.0001507800000000, 0.0000829000000000, -0.0000328400000000 ] - [ -0.0044272200000000, -0.0015676100000000, -0.0001007700000000 ] - [ 0.0000472200000000, 0.0003332900000000, 0.0001421800000000 ] - [ 0.0001036400000000, -0.0032351200000000, -0.0004484700000000 ] - [ -0.0002361600000000, 0.0003612900000000, 0.0001170600000000 ] - [ -0.0194580400000000, -0.0028239600000000, 0.0026854000000000 ] - [ 0.0000025800000000, 0.0003767200000000, -0.0000658200000000 ] - [ -0.0000084100000000, 0.0003174200000000, 0.0004652100000000 ] - [ -0.0001119200000000, -0.0008671700000000, 0.0019828200000000 ] - [ -0.0022056800000000, -0.0003080500000000, 0.0040074200000000 ] - [ -0.0000650100000000, 0.0000827200000000, 0.0001724900000000 ] - [ -0.0018882500000000, 0.0074875500000000, -0.0045953400000000 ] - [ 0.0001096200000000, 0.0002688100000000, -0.0001718700000000 ] - [ 0.0004274400000000, -0.0003527900000000, -0.0001528700000000 ] - [ 0.0003724400000000, 0.0015614000000000, 0.0000404500000000 ] - [ -0.0001890400000000, 0.0001168500000000, 0.0001308100000000 ] - [ 0.0000205700000000, 0.0000502100000000, 0.0000553800000000 ] - [ -0.0006332000000000, -0.0002987000000000, -0.0003066700000000 ] - [ -0.0000310900000000, 0.0002302900000000, 0.0000215900000000 ] - [ -0.0010035400000000, -0.0007300300000000, -0.0004531200000000 ] - [ -0.0001354300000000, 0.0002034100000000, -0.0000874800000000 ] - [ -0.0011004900000000, -0.0002240800000000, -0.0018322600000000 ] - [ -0.0000892300000000, 0.0002887800000000, 0.0000597300000000 ] - [ 0.0041663900000000, -0.0077001900000000, -0.0092952400000000 ] - [ -0.0001023100000000, 0.0001983500000000, 0.0000136100000000 ] - [ 0.0007874600000000, 0.0004910400000000, -0.0012451500000000 ] - [ 0.0002160000000000, 0.0000530400000000, -0.0000404500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031470000000000, -0.0028102700000000, 0.0049686900000000 ] - [ -0.0006820400000000, -0.0020341500000000, -0.0004077200000000 ] - [ -0.0043900000000000, 0.0123437100000000, -0.0010675100000000 ] - [ 0.0000714300000000, -0.0019075300000000, 0.0001165200000000 ] - [ -0.0005867100000000, -0.0003275500000000, -0.0002104300000000 ] - [ 0.0005586000000000, -0.0016097800000000, 0.0001105000000000 ] - [ 0.0025075400000000, 0.0043923200000000, 0.0008050000000000 ] - [ -0.0001097200000000, -0.0018135000000000, -0.0000170500000000 ] - [ 0.0008959300000000, 0.0049559100000000, 0.0001891300000000 ] - [ -0.0002250300000000, -0.0024077200000000, -0.0001246200000000 ] - [ -0.0003268400000000, 0.0044056500000000, -0.0014406900000000 ] - [ -0.0000120400000000, -0.0021418700000000, 0.0000006300000000 ] - [ 0.0006062400000000, 0.0000050300000000, 0.0004162500000000 ] - [ -0.0003288100000000, -0.0016829700000000, -0.0002108100000000 ] - [ 0.0020675400000000, -0.0010502800000000, 0.0008494500000000 ] - [ -0.0006065100000000, -0.0028693800000000, -0.0000770800000000 ] - [ -0.0031074100000000, 0.0085282400000000, 0.0005413600000000 ] - [ 0.0001821400000000, -0.0029794000000000, 0.0000333100000000 ] - [ -0.0105578800000000, -0.0061293100000000, 0.0014047100000000 ] - [ 0.0004601100000000, -0.0037257400000000, 0.0003843100000000 ] - [ -0.0581048700000000, 0.0647922100000000, 0.0059159700000000 ] - [ -0.0000832500000000, -0.0032281000000000, 0.0000152200000000 ] - [ -0.0019411700000000, 0.0004916700000000, -0.0008881900000000 ] - [ 0.0006111700000000, -0.0016412500000000, 0.0000431500000000 ] - [ -0.0075828100000000, 0.0048922600000000, -0.0053392400000000 ] - [ 0.0002460700000000, -0.0023319400000000, 0.0001091500000000 ] - [ -0.0000413400000000, -0.0002066300000000, -0.0001273200000000 ] - [ 0.0003583200000000, 0.0001032100000000, 0.0001681400000000 ] - [ 0.0049741800000000, -0.0089820200000000, -0.0030852400000000 ] - [ -0.0008670100000000, -0.0037139000000000, 0.0007993900000000 ] - [ 0.0008358300000000, 0.0049187600000000, -0.0003398600000000 ] - [ 0.0000689300000000, -0.0028044100000000, 0.0003257900000000 ] - [ -0.0191108900000000, 0.1562044900000000, 0.0776531500000000 ] - [ -0.0003217400000000, -0.0032091600000000, 0.0002463400000000 ] - [ 0.0023339500000000, 0.0003782200000000, 0.0007501500000000 ] - [ -0.0004507400000000, -0.0021041000000000, -0.0002301300000000 ] - [ -0.0028677000000000, -0.0049102100000000, 0.0020534400000000 ] - [ 0.0008779100000000, -0.0036852000000000, -0.0003380400000000 ] - [ -0.0018373000000000, 0.0080593300000000, -0.0009883100000000 ] - [ 0.0003700800000000, -0.0030007100000000, -0.0001431500000000 ] - [ 0.0118723300000000, 0.0053889400000000, -0.0027608300000000 ] - [ -0.0001417000000000, -0.0027913500000000, -0.0003484300000000 ] - [ 0.0001925800000000, -0.0055720900000000, 0.0040046000000000 ] - [ -0.0003468500000000, -0.0036201900000000, -0.0010347400000000 ] - [ -0.0000362000000000, -0.0007041000000000, -0.0001276700000000 ] - [ -0.0000366400000000, -0.0021249400000000, -0.0001404400000000 ] - [ -0.0011202500000000, 0.0013536300000000, 0.0031346500000000 ] - [ -0.0000372100000000, 0.0008539600000000, -0.0004646400000000 ] - [ 0.0015154400000000, -0.0026139800000000, -0.0007077500000000 ] - [ 0.0001162900000000, 0.0011915200000000, 0.0000283100000000 ] - [ -0.0005681900000000, -0.0052672900000000, 0.0018907700000000 ] - [ 0.0004360700000000, 0.0017691100000000, -0.0000752000000000 ] - [ 0.0002134700000000, -0.0009083900000000, -0.0011520100000000 ] - [ -0.0001868300000000, 0.0015815300000000, 0.0001093200000000 ] - [ -0.0004130200000000, 0.0008036100000000, -0.0002193200000000 ] - [ -0.0004079300000000, 0.0009304300000000, 0.0002384700000000 ] - [ 0.0003887300000000, -0.0015786100000000, 0.0014895000000000 ] - [ 0.0003572000000000, 0.0015083400000000, -0.0000627800000000 ] - [ 0.0017491300000000, 0.0040217600000000, -0.0027397900000000 ] - [ 0.0000176100000000, 0.0040320300000000, -0.0004482000000000 ] - [ -0.0115648200000000, 0.0213167800000000, 0.0172577600000000 ] - [ -0.0002662100000000, 0.0023269600000000, 0.0005803500000000 ] - [ 0.0006980700000000, -0.0017691800000000, 0.0021237800000000 ] - [ 0.0000531700000000, 0.0009700600000000, -0.0000995900000000 ] - [ 0.0000720300000000, 0.0006773900000000, -0.0002834400000000 ] - [ -0.0005919500000000, -0.0000840200000000, -0.0004001900000000 ] - [ 0.0034864700000000, 0.0302519600000000, 0.0005971000000000 ] - [ 0.0004428000000000, 0.0022481900000000, -0.0006559400000000 ] - [ 0.1015223200000000, -0.2872217100000000, -0.1258777400000000 ] - [ -0.0002758200000000, 0.0022340600000000, 0.0005309200000000 ] - [ -0.0019747100000000, -0.0014757000000000, -0.0011378100000000 ] - [ 0.0004233100000000, 0.0018303000000000, 0.0006033400000000 ] - [ 0.0007320600000000, -0.0052901200000000, 0.0009228300000000 ] - [ -0.0003776200000000, 0.0019874400000000, -0.0005790500000000 ] - [ -0.0014982500000000, 0.0023854700000000, 0.0003007500000000 ] - [ 0.0009045500000000, 0.0025400100000000, 0.0006059200000000 ] - [ 0.0102431400000000, 0.0045727800000000, -0.0009249700000000 ] - [ -0.0004857000000000, 0.0021720300000000, -0.0006020400000000 ] - [ -0.0006712400000000, -0.0020574300000000, 0.0004157700000000 ] - [ -0.0003972400000000, 0.0010074200000000, -0.0000272600000000 ] - [ -0.0000397500000000, 0.0015648400000000, 0.0001981600000000 ] - [ 0.0006948700000000, 0.0027969100000000, -0.0014735500000000 ] - [ 0.0006646800000000, 0.0009955700000000, 0.0001678000000000 ] - [ -0.0039684800000000, 0.0014670600000000, -0.0004505500000000 ] - [ -0.0190650500000000, 0.0030447800000000, 0.0114162800000000 ] - [ 0.0004379000000000, 0.0010625600000000, 0.0000055500000000 ] - [ -0.0003150900000000, 0.0010318300000000, -0.0003445600000000 ] - [ -0.0004898800000000, 0.0010486700000000, -0.0004280600000000 ] - [ 0.0000551200000000, -0.0024433400000000, -0.0004878700000000 ] - [ 0.0003175400000000, 0.0017051900000000, 0.0005051000000000 ] - [ -0.0023641300000000, -0.0000415500000000, -0.0000496700000000 ] - [ -0.0002115300000000, 0.0017130700000000, -0.0005057500000000 ] - [ -0.0025296200000000, -0.0049450300000000, -0.0014881000000000 ] - [ 0.0003356700000000, 0.0019539800000000, 0.0005569800000000 ] - [ 0.0029777400000000, -0.0024645900000000, -0.0011142400000000 ] - [ -0.0005457400000000, 0.0019884700000000, 0.0004851000000000 ] - [ -0.0028263300000000, -0.0087626000000000, 0.0008884900000000 ] - [ 0.0002930200000000, 0.0021341000000000, -0.0005314600000000 ] - [ -0.0003851600000000, 0.0009155200000000, 0.0006549400000000 ] - [ 0.0013609500000000, 0.0004363900000000, -0.0007610900000000 ] - [ -0.0024001300000000, -0.0018076700000000, 0.0027527800000000 ] - [ -0.0000437200000000, 0.0009780300000000, 0.0001237700000000 ] - [ -0.0069958200000000, 0.0048493000000000, -0.0051599500000000 ] - [ 0.0004908300000000, 0.0022277700000000, -0.0005971800000000 ] - [ 0.0013236900000000, 0.0023875900000000, 0.0010185900000000 ] - [ -0.0007170800000000, 0.0025283600000000, 0.0000632800000000 ] - [ 0.0004080900000000, 0.0009120400000000, 0.0000500800000000 ] - [ 0.0006609700000000, 0.0008505300000000, -0.0000262600000000 ] - [ 0.0004861300000000, -0.0021552800000000, 0.0000366200000000 ] - [ -0.0004105900000000, 0.0015089900000000, 0.0000458300000000 ] - [ 0.0011274400000000, -0.0001382800000000, 0.0008413800000000 ] - [ 0.0002381200000000, 0.0015355500000000, 0.0000233000000000 ] - [ 0.0019790200000000, -0.0044034500000000, 0.0004083300000000 ] - [ -0.0004306500000000, 0.0017505700000000, 0.0000682800000000 ] - [ 0.0086511300000000, 0.0033105800000000, 0.0177598200000000 ] - [ -0.0001746200000000, 0.0011888900000000, -0.0000779500000000 ] - [ 0.0000812200000000, 0.0004270600000000, -0.0018816500000000 ] - [ 0.0002597100000000, 0.0008070400000000, 0.0004788300000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031962200000000, 0.0028743900000000, -0.0048954500000000 ] - [ 0.0006532300000000, 0.0020936700000000, 0.0005237900000000 ] - [ 0.0045369500000000, -0.0122397100000000, 0.0014027900000000 ] - [ -0.0000975200000000, 0.0018496800000000, -0.0000820100000000 ] - [ 0.0006206400000000, 0.0003659800000000, 0.0000838100000000 ] - [ -0.0005236700000000, 0.0016668600000000, -0.0002413100000000 ] - [ -0.0025021500000000, -0.0044294800000000, -0.0008405200000000 ] - [ 0.0001268100000000, 0.0017572200000000, -0.0000046300000000 ] - [ -0.0012597400000000, -0.0049550900000000, -0.0002419000000000 ] - [ -0.0001408000000000, 0.0024470100000000, 0.0000494500000000 ] - [ 0.0003340200000000, -0.0040606600000000, 0.0014516100000000 ] - [ 0.0000116000000000, 0.0024688100000000, -0.0000004100000000 ] - [ -0.0007828100000000, 0.0000178500000000, -0.0004312500000000 ] - [ 0.0001512300000000, 0.0016946400000000, 0.0001921400000000 ] - [ -0.0020838300000000, 0.0007731500000000, -0.0008511900000000 ] - [ 0.0006047200000000, 0.0026067200000000, 0.0000775800000000 ] - [ 0.0031212500000000, -0.0088255100000000, -0.0005533900000000 ] - [ -0.0001841600000000, 0.0026652300000000, -0.0000338900000000 ] - [ 0.0106458900000000, 0.0063507100000000, -0.0014099600000000 ] - [ -0.0004566400000000, 0.0039292100000000, -0.0003815100000000 ] - [ 0.0552620100000000, -0.0637998300000000, -0.0057274100000000 ] - [ 0.0000835100000000, 0.0029968600000000, -0.0000150600000000 ] - [ 0.0021141600000000, -0.0004697300000000, 0.0009010100000000 ] - [ -0.0004360400000000, 0.0016512000000000, -0.0000233700000000 ] - [ 0.0079451300000000, -0.0048661400000000, 0.0054089600000000 ] - [ 0.0001205500000000, 0.0023719900000000, -0.0000335000000000 ] - [ 0.0000412200000000, 0.0001555200000000, 0.0001288400000000 ] - [ -0.0003561900000000, -0.0001547000000000, -0.0001668400000000 ] - [ -0.0049190400000000, 0.0089921100000000, 0.0035027800000000 ] - [ 0.0009282100000000, 0.0037335500000000, -0.0003968500000000 ] - [ -0.0008051100000000, -0.0049675000000000, 0.0010591700000000 ] - [ -0.0000237800000000, 0.0028013500000000, 0.0003885400000000 ] - [ 0.0203910200000000, -0.1637681500000000, -0.0837137100000000 ] - [ -0.0001337500000000, 0.0034695900000000, -0.0000910000000000 ] - [ -0.0025149700000000, -0.0003247900000000, -0.0009317800000000 ] - [ 0.0002652200000000, 0.0021392800000000, 0.0000452200000000 ] - [ 0.0030384600000000, 0.0049571500000000, -0.0018717800000000 ] - [ -0.0006955500000000, 0.0037336100000000, 0.0005288400000000 ] - [ 0.0022778000000000, -0.0079070100000000, 0.0008540200000000 ] - [ 0.0000854000000000, 0.0032624000000000, -0.0000118000000000 ] - [ -0.0119375000000000, -0.0054107500000000, 0.0020501000000000 ] - [ 0.0000954500000000, 0.0027889200000000, -0.0003667100000000 ] - [ -0.0002233900000000, 0.0055877400000000, -0.0044069600000000 ] - [ 0.0002974100000000, 0.0036374000000000, 0.0006340000000000 ] - [ 0.0000349000000000, 0.0007597800000000, 0.0001244000000000 ] - [ 0.0000354700000000, 0.0021986000000000, 0.0001397800000000 ] - [ 0.0008294500000000, -0.0012771700000000, -0.0031420100000000 ] - [ -0.0002429900000000, -0.0007858500000000, 0.0004448400000000 ] - [ -0.0012390300000000, 0.0026355700000000, 0.0006276400000000 ] - [ 0.0001575600000000, -0.0012019300000000, -0.0000933800000000 ] - [ 0.0005861900000000, 0.0053410000000000, -0.0021101700000000 ] - [ -0.0004151100000000, -0.0016915900000000, -0.0000870400000000 ] - [ 0.0000288500000000, 0.0008690300000000, 0.0011125600000000 ] - [ 0.0004351800000000, -0.0016378300000000, -0.0001534500000000 ] - [ 0.0002096700000000, -0.0007836600000000, 0.0002035700000000 ] - [ 0.0002060100000000, -0.0009190700000000, -0.0002554400000000 ] - [ -0.0005358700000000, 0.0015200900000000, -0.0014979400000000 ] - [ -0.0005004400000000, -0.0015550100000000, 0.0000563700000000 ] - [ -0.0018443100000000, -0.0042185500000000, 0.0029658100000000 ] - [ -0.0001003100000000, -0.0041975900000000, 0.0006469000000000 ] - [ 0.0113673300000000, -0.0209196700000000, -0.0167778600000000 ] - [ 0.0002180000000000, -0.0021391600000000, -0.0003360400000000 ] - [ -0.0005684600000000, 0.0016853100000000, -0.0023366200000000 ] - [ 0.0000766300000000, -0.0010642100000000, -0.0001053400000000 ] - [ -0.0001000800000000, -0.0006477800000000, -0.0003437400000000 ] - [ 0.0005661400000000, 0.0001080500000000, -0.0002290600000000 ] - [ -0.0034552600000000, -0.0312502100000000, -0.0005538200000000 ] - [ -0.0003951500000000, -0.0026187200000000, 0.0007171200000000 ] - [ -0.1006260800000000, 0.2941264900000000, 0.1317445300000000 ] - [ 0.0003209300000000, -0.0021095900000000, -0.0005389600000000 ] - [ 0.0019683300000000, 0.0014252400000000, 0.0011947800000000 ] - [ -0.0004471000000000, -0.0019017600000000, -0.0005565700000000 ] - [ -0.0008261600000000, 0.0054986300000000, -0.0010721200000000 ] - [ 0.0003221200000000, -0.0017972100000000, 0.0004456000000000 ] - [ 0.0015912400000000, -0.0023688600000000, -0.0003499800000000 ] - [ -0.0008250700000000, -0.0025215700000000, -0.0006550900000000 ] - [ -0.0102404500000000, -0.0046220700000000, 0.0008429100000000 ] - [ 0.0004028000000000, -0.0022438900000000, 0.0005170000000000 ] - [ 0.0000793000000000, 0.0020551400000000, -0.0005359100000000 ] - [ -0.0002117700000000, -0.0010330800000000, -0.0000828300000000 ] - [ 0.0000845400000000, -0.0016048700000000, -0.0004057300000000 ] - [ -0.0006480200000000, -0.0028157000000000, 0.0012590900000000 ] - [ -0.0007170200000000, -0.0010298900000000, 0.0000358900000000 ] - [ 0.0039063700000000, -0.0014990400000000, 0.0006510500000000 ] - [ 0.0198041100000000, -0.0030572200000000, -0.0114306600000000 ] - [ 0.0001710100000000, -0.0010874400000000, 0.0001042100000000 ] - [ 0.0002389400000000, -0.0010031200000000, 0.0003926000000000 ] - [ 0.0004111500000000, -0.0010321300000000, 0.0004796400000000 ] - [ 0.0000354600000000, 0.0023615600000000, 0.0005724300000000 ] - [ -0.0002321700000000, -0.0017724900000000, -0.0004200600000000 ] - [ 0.0023941400000000, -0.0000192800000000, -0.0000008200000000 ] - [ 0.0002370500000000, -0.0017841500000000, 0.0004571500000000 ] - [ 0.0025988500000000, 0.0051485200000000, 0.0016327100000000 ] - [ -0.0002809500000000, -0.0017627300000000, -0.0004220200000000 ] - [ -0.0030504700000000, 0.0021284900000000, 0.0010635700000000 ] - [ 0.0004972600000000, -0.0023600900000000, -0.0005467400000000 ] - [ 0.0029272000000000, 0.0089026700000000, -0.0008978800000000 ] - [ -0.0003377800000000, -0.0020085800000000, 0.0005390000000000 ] - [ 0.0004161400000000, -0.0008883200000000, -0.0000309000000000 ] - [ -0.0013341300000000, -0.0004122100000000, 0.0013904300000000 ] - [ 0.0022808300000000, 0.0017235900000000, -0.0025647300000000 ] - [ -0.0000861200000000, -0.0010718400000000, 0.0000810800000000 ] - [ 0.0069971000000000, -0.0046726400000000, 0.0049016200000000 ] - [ -0.0004445000000000, -0.0020380500000000, 0.0003517100000000 ] - [ -0.0012596900000000, -0.0025665800000000, -0.0012263100000000 ] - [ 0.0007946200000000, -0.0027085700000000, -0.0002650200000000 ] - [ -0.0002040700000000, -0.0008915900000000, -0.0000316400000000 ] - [ -0.0004583900000000, -0.0008382600000000, 0.0000432500000000 ] - [ -0.0003388900000000, 0.0020995100000000, -0.0000315600000000 ] - [ 0.0005551300000000, -0.0015554500000000, -0.0000392100000000 ] - [ -0.0013693900000000, 0.0000950800000000, -0.0007932300000000 ] - [ -0.0004869900000000, -0.0015939300000000, 0.0000211100000000 ] - [ -0.0020055800000000, 0.0044865100000000, -0.0002451500000000 ] - [ 0.0004092400000000, -0.0016726800000000, 0.0000939300000000 ] - [ -0.0089632300000000, -0.0032777000000000, -0.0178386700000000 ] - [ -0.0000995000000000, -0.0012002300000000, 0.0001434700000000 ] - [ 0.0001984000000000, -0.0003608600000000, 0.0019042000000000 ] - [ 0.0000178700000000, -0.0007379600000000, -0.0004566800000000 ]- atom: 69 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0003042300000000, 0.0000557700000000, 0.0011686200000000 ] - [ -0.0007407600000000, -0.0006961200000000, 0.0002048900000000 ] - [ -0.0072596700000000, 0.0016558400000000, 0.0068959300000000 ] - [ -0.0000580500000000, -0.0005607600000000, 0.0000563600000000 ] - [ 0.0005867400000000, -0.0003992700000000, 0.0005996100000000 ] - [ 0.0001133200000000, -0.0003882900000000, 0.0000058600000000 ] - [ 0.0016149100000000, 0.0002232600000000, 0.0020358700000000 ] - [ 0.0000044300000000, -0.0005615900000000, 0.0000117500000000 ] - [ 0.0006381200000000, 0.0047197200000000, -0.0067112700000000 ] - [ -0.0001792700000000, -0.0008045600000000, -0.0001421200000000 ] - [ -0.0022738200000000, -0.0002252300000000, -0.0035402900000000 ] - [ -0.0000139100000000, -0.0005422800000000, -0.0000423900000000 ] - [ -0.0005238000000000, -0.0003548900000000, -0.0003081300000000 ] - [ -0.0002188200000000, -0.0005450000000000, -0.0001473900000000 ] - [ 0.0010955200000000, -0.0019292100000000, 0.0020183500000000 ] - [ 0.0003000300000000, -0.0006382900000000, 0.0000621500000000 ] - [ 0.0032257400000000, 0.0026119700000000, 0.0025109200000000 ] - [ 0.0000727500000000, -0.0009942000000000, 0.0000265400000000 ] - [ -0.0020091800000000, -0.0002583300000000, 0.0019846400000000 ] - [ 0.0001556800000000, -0.0012725900000000, 0.0012016700000000 ] - [ -0.0530722600000000, 0.0347274000000000, 0.0196670500000000 ] - [ -0.0000243800000000, -0.0009729000000000, 0.0001004500000000 ] - [ -0.0000351200000000, -0.0000438400000000, -0.0015715900000000 ] - [ 0.0002258700000000, -0.0006539200000000, -0.0001993100000000 ] - [ -0.0077686600000000, 0.0026929000000000, -0.0059789600000000 ] - [ 0.0001629100000000, -0.0006704700000000, 0.0000584300000000 ] - [ 0.0000223400000000, -0.0001218400000000, -0.0001121800000000 ] - [ 0.0004090900000000, 0.0001160000000000, -0.0004760600000000 ] - [ 0.0043850100000000, -0.0070753000000000, -0.0027360400000000 ] - [ 0.0000687300000000, -0.0004009700000000, 0.0000936300000000 ] - [ 0.0019580500000000, 0.0013655800000000, -0.0008010400000000 ] - [ 0.0000942800000000, -0.0007798600000000, 0.0003594800000000 ] - [ -0.0276651600000000, 0.0775318600000000, 0.0818159300000000 ] - [ -0.0003035600000000, -0.0008297000000000, 0.0002135100000000 ] - [ 0.0022319100000000, 0.0000385300000000, 0.0006580800000000 ] - [ 0.0000889300000000, -0.0006595000000000, -0.0000234200000000 ] - [ -0.0004788800000000, 0.0023046200000000, -0.0003552600000000 ] - [ 0.0000992600000000, -0.0012352100000000, 0.0001228800000000 ] - [ 0.0058247600000000, 0.0080230200000000, -0.0002910400000000 ] - [ 0.0003654200000000, -0.0008685100000000, -0.0000942400000000 ] - [ 0.0154115100000000, 0.0030512200000000, -0.0055744700000000 ] - [ -0.0000471600000000, -0.0007620100000000, -0.0004181200000000 ] - [ -0.0010161700000000, 0.0003530800000000, 0.0003990800000000 ] - [ -0.0001810700000000, -0.0011011300000000, -0.0001889800000000 ] - [ -0.0009690700000000, -0.0000512200000000, -0.0017930900000000 ] - [ -0.0001337700000000, -0.0006804500000000, -0.0002596300000000 ] - [ -0.0012215200000000, 0.0010868500000000, 0.0026057600000000 ] - [ -0.0001866400000000, 0.0001902000000000, 0.0001317300000000 ] - [ -0.0026608100000000, -0.0035829900000000, 0.0024549900000000 ] - [ 0.0001008700000000, 0.0004092800000000, -0.0000288600000000 ] - [ 0.0016770200000000, -0.0006262100000000, 0.0089138700000000 ] - [ 0.0001612900000000, 0.0005754700000000, -0.0000517200000000 ] - [ 0.0009829800000000, -0.0015885200000000, 0.0010335200000000 ] - [ 0.0001019300000000, 0.0005481300000000, 0.0001237200000000 ] - [ 0.0001406100000000, 0.0001153500000000, 0.0001957900000000 ] - [ -0.0000491000000000, 0.0004292000000000, 0.0001628400000000 ] - [ 0.0014678800000000, 0.0005167200000000, 0.0008633900000000 ] - [ 0.0000822500000000, 0.0004391500000000, 0.0000066600000000 ] - [ 0.0003429600000000, 0.0003080900000000, -0.0003733200000000 ] - [ 0.0000542200000000, 0.0032007700000000, -0.0006352600000000 ] - [ -0.0069462800000000, 0.0198597300000000, 0.0097785800000000 ] - [ -0.0000893900000000, 0.0005583500000000, 0.0002219100000000 ] - [ 0.0005385300000000, -0.0006761800000000, 0.0023821500000000 ] - [ 0.0000592900000000, 0.0002444300000000, -0.0001189200000000 ] - [ -0.0000349700000000, 0.0002341600000000, -0.0002953400000000 ] - [ -0.0004989400000000, 0.0000301000000000, -0.0002439000000000 ] - [ 0.0032632700000000, -0.0000234500000000, -0.0058600000000000 ] - [ 0.0003119400000000, 0.0006295100000000, -0.0004019400000000 ] - [ 0.1059794400000000, -0.1605303200000000, -0.1307994500000000 ] - [ -0.0000404000000000, 0.0006744600000000, 0.0001166800000000 ] - [ -0.0006967600000000, -0.0004466700000000, -0.0009012600000000 ] - [ 0.0000646200000000, 0.0003726900000000, 0.0000697500000000 ] - [ 0.0002550000000000, -0.0009033200000000, -0.0014138100000000 ] - [ -0.0001312500000000, 0.0006398900000000, -0.0002260100000000 ] - [ 0.0001055800000000, 0.0008621500000000, -0.0002065600000000 ] - [ 0.0001727300000000, -0.0004280000000000, -0.0001726300000000 ] - [ -0.0012222700000000, -0.0042273100000000, -0.0020211200000000 ] - [ -0.0001490600000000, 0.0006635000000000, -0.0002426300000000 ] - [ -0.0035054700000000, -0.0012551200000000, 0.0007990400000000 ] - [ -0.0004082200000000, 0.0002869500000000, -0.0000442500000000 ] - [ 0.0001177100000000, 0.0003951100000000, -0.0001261800000000 ] - [ 0.0008928500000000, -0.0005802200000000, -0.0005214200000000 ] - [ -0.0000974700000000, 0.0001527200000000, 0.0000721200000000 ] - [ -0.0031424600000000, 0.0012478800000000, -0.0004756900000000 ] - [ -0.0243940200000000, 0.0153896600000000, 0.0119905700000000 ] - [ 0.0003779500000000, 0.0002768800000000, 0.0000353600000000 ] - [ -0.0004370900000000, 0.0006318800000000, -0.0004085900000000 ] - [ -0.0005597800000000, 0.0004891300000000, -0.0003299000000000 ] - [ -0.0014492800000000, -0.0005201000000000, -0.0004709800000000 ] - [ 0.0000723900000000, 0.0004986100000000, 0.0001522000000000 ] - [ -0.0039953400000000, 0.0016563400000000, -0.0006418600000000 ] - [ -0.0001339800000000, 0.0004185500000000, -0.0001367200000000 ] - [ -0.0038655300000000, -0.0025906800000000, -0.0009063500000000 ] - [ 0.0001059100000000, 0.0006353200000000, 0.0002157400000000 ] - [ 0.0004299000000000, -0.0025996500000000, -0.0020189300000000 ] - [ -0.0002347900000000, 0.0005028800000000, -0.0000204800000000 ] - [ -0.0118679700000000, -0.0021299900000000, -0.0029228500000000 ] - [ 0.0000538800000000, 0.0006828000000000, -0.0001784700000000 ] - [ -0.0000651100000000, 0.0004398900000000, 0.0004047600000000 ] - [ -0.0002410100000000, -0.0004213100000000, 0.0011404600000000 ] - [ -0.0030406500000000, -0.0011131200000000, 0.0053979600000000 ] - [ -0.0000700200000000, 0.0002620100000000, 0.0001836000000000 ] - [ 0.0011778200000000, 0.0001417500000000, -0.0030965200000000 ] - [ 0.0001660000000000, 0.0007335900000000, -0.0003116400000000 ] - [ 0.0003224600000000, 0.0004597000000000, -0.0003810800000000 ] - [ 0.0001087400000000, 0.0000484300000000, -0.0004288500000000 ] - [ 0.0003139400000000, 0.0005137400000000, 0.0004659500000000 ] - [ 0.0002735500000000, 0.0003085300000000, 0.0002063500000000 ] - [ 0.0002038800000000, -0.0003331200000000, 0.0011029200000000 ] - [ -0.0000842600000000, 0.0004891500000000, 0.0000386900000000 ] - [ 0.0017601400000000, 0.0007412500000000, 0.0012170800000000 ] - [ 0.0000370600000000, 0.0004370100000000, 0.0000993100000000 ] - [ 0.0025202700000000, -0.0020321300000000, 0.0013030900000000 ] - [ -0.0001350700000000, 0.0005536600000000, 0.0000749300000000 ] - [ 0.0123285500000000, 0.0126204100000000, 0.0127996500000000 ] - [ -0.0001443300000000, 0.0003258300000000, -0.0000228000000000 ] - [ 0.0005531000000000, -0.0000494200000000, 0.0000750000000000 ] - [ 0.0002421300000000, 0.0003366500000000, 0.0000934700000000 ]- atom: 69 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0002928800000000, -0.0000066700000000, -0.0010374600000000 ] - [ 0.0007116100000000, 0.0007528000000000, -0.0000870000000000 ] - [ 0.0073900500000000, -0.0015634200000000, -0.0067039600000000 ] - [ 0.0000341500000000, 0.0005058100000000, -0.0000261200000000 ] - [ -0.0005624300000000, 0.0004525900000000, -0.0007277600000000 ] - [ -0.0000803300000000, 0.0004422900000000, -0.0001356600000000 ] - [ -0.0016127300000000, -0.0002863800000000, -0.0020506600000000 ] - [ 0.0000103500000000, 0.0005093500000000, -0.0000281500000000 ] - [ -0.0010074900000000, -0.0046682800000000, 0.0066261100000000 ] - [ -0.0001822800000000, 0.0008384800000000, 0.0000664700000000 ] - [ 0.0022641700000000, 0.0005444200000000, 0.0035340200000000 ] - [ 0.0000133800000000, 0.0008726300000000, 0.0000428200000000 ] - [ 0.0003473100000000, 0.0003678100000000, 0.0002881600000000 ] - [ 0.0000401200000000, 0.0005609100000000, 0.0001339100000000 ] - [ -0.0010941500000000, 0.0016732200000000, -0.0020315900000000 ] - [ -0.0002991900000000, 0.0003701000000000, -0.0000612200000000 ] - [ -0.0032166000000000, -0.0029428700000000, -0.0025280100000000 ] - [ -0.0000725900000000, 0.0006821200000000, -0.0000268600000000 ] - [ 0.0019692800000000, 0.0004433700000000, -0.0019821700000000 ] - [ -0.0001540000000000, 0.0014731600000000, -0.0011945700000000 ] - [ 0.0520667600000000, -0.0339655000000000, -0.0201669200000000 ] - [ 0.0000230500000000, 0.0007390000000000, -0.0001005500000000 ] - [ 0.0002089800000000, 0.0000541400000000, 0.0015851500000000 ] - [ -0.0000462600000000, 0.0006709500000000, 0.0002140200000000 ] - [ 0.0081163900000000, -0.0026591500000000, 0.0060495200000000 ] - [ 0.0001989200000000, 0.0007057900000000, 0.0000174300000000 ] - [ -0.0000230000000000, 0.0000710300000000, 0.0001128900000000 ] - [ -0.0004073000000000, -0.0001685600000000, 0.0004756100000000 ] - [ -0.0043279200000000, 0.0070851000000000, 0.0031518800000000 ] - [ -0.0000221900000000, 0.0004064400000000, 0.0003238100000000 ] - [ -0.0019107700000000, -0.0013867800000000, 0.0015126900000000 ] - [ -0.0000514600000000, 0.0007714900000000, 0.0003495900000000 ] - [ 0.0272723500000000, -0.0808400700000000, -0.0829034200000000 ] - [ -0.0001513000000000, 0.0010858500000000, -0.0000523700000000 ] - [ -0.0024178900000000, 0.0000014400000000, -0.0008381700000000 ] - [ -0.0002776400000000, 0.0007004500000000, -0.0001686900000000 ] - [ 0.0006755000000000, -0.0022524900000000, 0.0005293100000000 ] - [ 0.0000924100000000, 0.0012721500000000, 0.0000660200000000 ] - [ -0.0053494100000000, -0.0077714600000000, 0.0001575300000000 ] - [ 0.0000892600000000, 0.0011256600000000, -0.0000666100000000 ] - [ -0.0155121900000000, -0.0030750200000000, 0.0048772600000000 ] - [ 0.0000039900000000, 0.0007545100000000, -0.0002920500000000 ] - [ 0.0009778300000000, -0.0003180600000000, -0.0008289400000000 ] - [ 0.0001298700000000, 0.0011086900000000, -0.0002292900000000 ] - [ 0.0009660700000000, 0.0001186100000000, 0.0017949900000000 ] - [ 0.0001322900000000, 0.0007441400000000, 0.0002579600000000 ] - [ 0.0009371000000000, -0.0010120500000000, -0.0026274200000000 ] - [ -0.0000888400000000, -0.0001195000000000, -0.0001657900000000 ] - [ 0.0029037400000000, 0.0035447900000000, -0.0025274800000000 ] - [ 0.0001749000000000, -0.0004201300000000, -0.0000549200000000 ] - [ -0.0016278500000000, 0.0007160500000000, -0.0090047500000000 ] - [ -0.0001362800000000, -0.0004927100000000, -0.0001055700000000 ] - [ -0.0007254800000000, 0.0015242600000000, -0.0010803700000000 ] - [ 0.0001498100000000, -0.0006036400000000, -0.0001645500000000 ] - [ -0.0003486400000000, -0.0000992000000000, -0.0002120500000000 ] - [ -0.0001584200000000, -0.0004099600000000, -0.0001771800000000 ] - [ -0.0016104300000000, -0.0005584600000000, -0.0008653800000000 ] - [ -0.0002305500000000, -0.0004855100000000, -0.0000073800000000 ] - [ -0.0004172200000000, -0.0004714200000000, 0.0005602600000000 ] - [ -0.0001354600000000, -0.0033591900000000, 0.0008279500000000 ] - [ 0.0068582600000000, -0.0194584500000000, -0.0094687800000000 ] - [ 0.0000417900000000, -0.0003630300000000, 0.0000180200000000 ] - [ -0.0004221000000000, 0.0005830800000000, -0.0025993100000000 ] - [ 0.0000578400000000, -0.0003387400000000, -0.0000967300000000 ] - [ 0.0000084100000000, -0.0002055400000000, -0.0003305100000000 ] - [ 0.0004699400000000, -0.0000018100000000, -0.0003875100000000 ] - [ -0.0032231000000000, -0.0002473300000000, 0.0059427000000000 ] - [ -0.0002663200000000, -0.0009983100000000, 0.0004613700000000 ] - [ -0.1051563000000000, 0.1632328500000000, 0.1324285800000000 ] - [ 0.0000813000000000, -0.0005482000000000, -0.0001254700000000 ] - [ 0.0006707900000000, 0.0003796300000000, 0.0009493400000000 ] - [ -0.0000869000000000, -0.0004405900000000, -0.0000253900000000 ] - [ -0.0003291300000000, 0.0011017200000000, 0.0012717000000000 ] - [ 0.0000776100000000, -0.0004495400000000, 0.0000883900000000 ] - [ -0.0000333300000000, -0.0008358700000000, 0.0001613600000000 ] - [ -0.0000937500000000, 0.0004482200000000, 0.0001214100000000 ] - [ 0.0011196300000000, 0.0041539800000000, 0.0019533100000000 ] - [ 0.0000676600000000, -0.0007296000000000, 0.0001566700000000 ] - [ 0.0028884700000000, 0.0012344400000000, -0.0009201400000000 ] - [ -0.0002034100000000, -0.0003122200000000, -0.0000737900000000 ] - [ -0.0000761600000000, -0.0004256000000000, -0.0000740500000000 ] - [ -0.0008535900000000, 0.0005400100000000, 0.0003211100000000 ] - [ 0.0000566200000000, -0.0001844900000000, 0.0001299100000000 ] - [ 0.0030876700000000, -0.0012774400000000, 0.0006745100000000 ] - [ 0.0253092400000000, -0.0157092300000000, -0.0120135400000000 ] - [ 0.0002329800000000, -0.0003015400000000, 0.0000824900000000 ] - [ 0.0003574300000000, -0.0006112500000000, 0.0004595700000000 ] - [ 0.0004781700000000, -0.0004650800000000, 0.0003795300000000 ] - [ 0.0015293700000000, 0.0004562600000000, 0.0005577900000000 ] - [ 0.0000095300000000, -0.0005656100000000, -0.0000670000000000 ] - [ 0.0040460700000000, -0.0017393200000000, 0.0006044900000000 ] - [ 0.0001569900000000, -0.0004855400000000, 0.0000901200000000 ] - [ 0.0039289100000000, 0.0027958000000000, 0.0010539700000000 ] - [ -0.0000541100000000, -0.0004443400000000, -0.0000768600000000 ] - [ -0.0004688300000000, 0.0022265900000000, 0.0019545600000000 ] - [ 0.0001887500000000, -0.0008723600000000, -0.0000409100000000 ] - [ 0.0117752300000000, 0.0022672600000000, 0.0028667900000000 ] - [ -0.0000938800000000, -0.0005561900000000, 0.0001870500000000 ] - [ 0.0000904100000000, -0.0004124500000000, 0.0002230100000000 ] - [ 0.0002656300000000, 0.0004486300000000, -0.0005009100000000 ] - [ 0.0029351200000000, 0.0010196000000000, -0.0051923400000000 ] - [ -0.0000473600000000, -0.0003559200000000, 0.0000321800000000 ] - [ -0.0011036500000000, 0.0000206200000000, 0.0028653400000000 ] - [ -0.0001176900000000, -0.0005389900000000, 0.0000707300000000 ] - [ -0.0002382000000000, -0.0006293000000000, 0.0001902100000000 ] - [ -0.0000286900000000, -0.0002313700000000, 0.0002301000000000 ] - [ -0.0001050700000000, -0.0004985700000000, -0.0004525100000000 ] - [ -0.0000658800000000, -0.0002893100000000, -0.0001913700000000 ] - [ -0.0000527000000000, 0.0002925200000000, -0.0010970500000000 ] - [ 0.0002333200000000, -0.0005359900000000, -0.0000378300000000 ] - [ -0.0020132000000000, -0.0008014100000000, -0.0011770100000000 ] - [ -0.0002889000000000, -0.0004948600000000, -0.0000572900000000 ] - [ -0.0025385000000000, 0.0021192300000000, -0.0011403200000000 ] - [ 0.0001098500000000, -0.0004707300000000, 0.0000822000000000 ] - [ -0.0127321000000000, -0.0127613000000000, -0.0127666800000000 ] - [ -0.0001316000000000, -0.0003379900000000, 0.0001071600000000 ] - [ -0.0002762500000000, 0.0001183400000000, -0.0000373200000000 ] - [ 0.0000334500000000, -0.0002664500000000, -0.0000594400000000 ]- atom: 71 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0149597400000000, 0.0039151600000000, 0.0001292800000000 ] - [ -0.0000197100000000, -0.0002598100000000, 0.0000674700000000 ] - [ 0.0005186600000000, 0.0011521900000000, 0.0001930300000000 ] - [ -0.0001531700000000, -0.0006614200000000, 0.0001357400000000 ] - [ -0.0018459900000000, 0.0010117000000000, 0.0026417000000000 ] - [ 0.0000179500000000, -0.0002817600000000, -0.0000188300000000 ] - [ 0.0001353600000000, -0.0008409500000000, 0.0009581900000000 ] - [ -0.0001319800000000, -0.0000688100000000, 0.0003262100000000 ] - [ -0.0049318300000000, 0.0033484100000000, -0.0001861000000000 ] - [ -0.0002433500000000, -0.0004286800000000, -0.0000302900000000 ] - [ 0.0007972600000000, 0.0003659100000000, 0.0006482600000000 ] - [ -0.0001761500000000, -0.0004251600000000, 0.0002241200000000 ] - [ 0.0001039300000000, -0.0003551800000000, -0.0000447500000000 ] - [ 0.0027992700000000, -0.0017259500000000, -0.0004988400000000 ] - [ 0.0364895900000000, -0.0234320000000000, -0.0356378600000000 ] - [ 0.0000945300000000, -0.0006168200000000, 0.0000180500000000 ] - [ 0.0017050700000000, -0.0015315500000000, 0.0003809000000000 ] - [ 0.0012223700000000, -0.0005561300000000, 0.0001747400000000 ] - [ -0.0059974800000000, -0.0000570400000000, -0.0000792000000000 ] - [ -0.0000667700000000, -0.0003737300000000, 0.0000049500000000 ] - [ -0.0026152800000000, -0.0006499700000000, 0.0002734500000000 ] - [ -0.0003712900000000, -0.0006122700000000, -0.0000152300000000 ] - [ 0.0000382000000000, -0.0002748800000000, 0.0000052200000000 ] - [ 0.0003377300000000, -0.0002307000000000, 0.0000793100000000 ] - [ 0.0009442600000000, 0.0016975700000000, -0.0027847400000000 ] - [ 0.0001889200000000, -0.0004016900000000, 0.0000293000000000 ] - [ -0.0002131800000000, 0.0000894600000000, -0.0004768300000000 ] - [ -0.0000390000000000, -0.0000865600000000, -0.0000581600000000 ] - [ -0.0002798400000000, -0.0003904100000000, 0.0001670400000000 ] - [ -0.0020802400000000, -0.0012815600000000, 0.0002542800000000 ] - [ 0.0738918000000000, 0.0650081600000000, 0.0299658000000000 ] - [ 0.0001311300000000, -0.0005070700000000, 0.0003534600000000 ] - [ -0.0023516200000000, 0.0059540600000000, -0.0048302000000000 ] - [ -0.0002425200000000, -0.0004598900000000, 0.0000149500000000 ] - [ -0.0000779200000000, -0.0009261800000000, -0.0001831100000000 ] - [ -0.0009298100000000, 0.0045938400000000, -0.0027546900000000 ] - [ 0.0001593400000000, -0.0002048700000000, 0.0000084900000000 ] - [ -0.0004930700000000, -0.0037178700000000, -0.0027637700000000 ] - [ -0.0174283600000000, 0.0026429200000000, 0.0060338700000000 ] - [ 0.0001926800000000, -0.0002586900000000, -0.0001112800000000 ] - [ 0.0059184400000000, -0.0024874600000000, 0.0010097600000000 ] - [ 0.0000426600000000, -0.0004683700000000, -0.0003609600000000 ] - [ -0.0001813600000000, -0.0004580400000000, -0.0002737200000000 ] - [ -0.0012581900000000, -0.0000980800000000, -0.0004662700000000 ] - [ 0.0004264700000000, -0.0001957100000000, 0.0067856000000000 ] - [ 0.0000089700000000, -0.0004348200000000, 0.0000025300000000 ] - [ -0.0000324500000000, 0.0001351600000000, 0.0000003200000000 ] - [ 0.0003560600000000, 0.0002237300000000, 0.0000832400000000 ] - [ 0.0060231000000000, -0.0010524000000000, 0.0018366600000000 ] - [ 0.0001822500000000, 0.0001711100000000, -0.0000126600000000 ] - [ 0.0004110100000000, -0.0012307300000000, -0.0006544200000000 ] - [ 0.0001704900000000, 0.0004232100000000, -0.0001068700000000 ] - [ 0.0049099800000000, -0.0005265000000000, -0.0058794100000000 ] - [ 0.0000359600000000, 0.0002794600000000, -0.0000515800000000 ] - [ -0.0009238400000000, 0.0042885100000000, -0.0055485100000000 ] - [ -0.0002237800000000, 0.0002921400000000, 0.0000202100000000 ] - [ -0.0003573700000000, 0.0000807200000000, -0.0000061200000000 ] - [ -0.0002005800000000, 0.0008672000000000, -0.0000335200000000 ] - [ 0.0024663600000000, 0.0012508600000000, -0.0000855400000000 ] - [ 0.0000672100000000, 0.0002002600000000, 0.0000214300000000 ] - [ 0.0004113100000000, 0.0001395800000000, 0.0001500900000000 ] - [ 0.0004123800000000, 0.0005510700000000, 0.0001931500000000 ] - [ -0.0067665700000000, 0.0027251600000000, 0.0058327000000000 ] - [ 0.0000321000000000, 0.0001436800000000, -0.0001075000000000 ] - [ -0.0010177000000000, -0.0010596800000000, 0.0009229000000000 ] - [ -0.0001253400000000, 0.0002566600000000, -0.0002249500000000 ] - [ 0.0084037600000000, -0.0008672300000000, 0.0050990000000000 ] - [ 0.0000801500000000, 0.0001629900000000, -0.0000582500000000 ] - [ 0.0013509600000000, -0.0019009800000000, -0.0000382300000000 ] - [ 0.0000772200000000, 0.0005009700000000, 0.0001165400000000 ] - [ -0.1455330900000000, -0.0793679100000000, 0.0018655800000000 ] - [ 0.0000161300000000, 0.0002919000000000, 0.0001013400000000 ] - [ -0.0081157200000000, -0.0027121800000000, 0.0007138600000000 ] - [ -0.0003138600000000, 0.0005206300000000, -0.0002031300000000 ] - [ -0.0005545700000000, 0.0135573600000000, 0.0090114100000000 ] - [ 0.0000480900000000, 0.0002636600000000, 0.0000412000000000 ] - [ -0.0003166200000000, 0.0000988800000000, -0.0000874300000000 ] - [ -0.0005330200000000, 0.0019494300000000, -0.0001546700000000 ] - [ 0.0316487500000000, 0.0200425000000000, -0.0001958300000000 ] - [ -0.0003566000000000, 0.0001304200000000, -0.0000369700000000 ] - [ 0.0015086400000000, 0.0006380700000000, 0.0007307900000000 ] - [ 0.0001235300000000, 0.0000747100000000, -0.0000451000000000 ] - [ 0.0018974900000000, -0.0003887600000000, 0.0008436400000000 ] - [ 0.0001684900000000, 0.0002559200000000, 0.0001591000000000 ] - [ -0.0020356500000000, -0.0016563200000000, 0.0031435600000000 ] - [ 0.0002581500000000, 0.0001847300000000, 0.0000742300000000 ] - [ 0.0015795300000000, -0.0064904700000000, -0.0023595600000000 ] - [ -0.0001162000000000, 0.0004649200000000, -0.0000914800000000 ] - [ -0.0002447700000000, 0.0006689400000000, 0.0001157600000000 ] - [ -0.0003586400000000, -0.0013582100000000, -0.0000047900000000 ] - [ -0.0020417700000000, 0.0004150800000000, -0.0077381400000000 ] - [ -0.0000704500000000, 0.0002884600000000, -0.0001204800000000 ] - [ -0.0013082500000000, 0.0005191700000000, -0.0007978800000000 ] - [ -0.0000955800000000, 0.0003084200000000, 0.0000466300000000 ] - [ 0.0044307200000000, -0.0027211900000000, -0.0020169200000000 ] - [ -0.0000438600000000, 0.0001219300000000, 0.0000512300000000 ] - [ 0.0037024100000000, 0.0024558100000000, -0.0025246600000000 ] - [ 0.0001419800000000, 0.0002912700000000, -0.0000738800000000 ] - [ -0.0007614300000000, 0.0006133500000000, 0.0018769300000000 ] - [ -0.0000052100000000, 0.0001240600000000, 0.0003504800000000 ] - [ 0.0000319000000000, -0.0001174100000000, -0.0011930900000000 ] - [ -0.0000550700000000, 0.0001309700000000, 0.0000897200000000 ] - [ 0.0004589200000000, 0.0006427500000000, -0.0004341600000000 ] - [ 0.0004602900000000, 0.0003539900000000, -0.0002356300000000 ] - [ 0.0013801700000000, -0.0004202900000000, -0.0002753000000000 ] - [ 0.0000254300000000, 0.0002422800000000, -0.0000213100000000 ] - [ 0.0006838900000000, 0.0001908500000000, -0.0022087000000000 ] - [ 0.0001927600000000, 0.0002778200000000, -0.0000215300000000 ] - [ -0.0000183300000000, 0.0001033000000000, -0.0002809100000000 ] - [ -0.0000269500000000, 0.0002591300000000, -0.0001887300000000 ] - [ -0.0009949400000000, -0.0014038800000000, -0.0014617000000000 ] - [ -0.0000367900000000, 0.0002699300000000, 0.0000423100000000 ] - [ -0.0004503300000000, 0.0000389500000000, 0.0002329200000000 ] - [ -0.0000816100000000, 0.0003689900000000, -0.0000087000000000 ] - [ 0.0012456000000000, -0.0011478600000000, 0.0021949100000000 ] - [ -0.0001148200000000, 0.0001943800000000, 0.0000674200000000 ] - [ 0.0001175700000000, 0.0001765000000000, 0.0000478700000000 ] - [ -0.0002751700000000, 0.0001807800000000, 0.0002003000000000 ]- atom: 71 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0164475900000000, -0.0047923000000000, 0.0001530300000000 ] - [ -0.0000059500000000, 0.0003168000000000, 0.0000471500000000 ] - [ -0.0005755900000000, -0.0012096300000000, -0.0001610900000000 ] - [ 0.0001259500000000, 0.0006084000000000, -0.0001109900000000 ] - [ 0.0018902400000000, -0.0009685200000000, -0.0027585300000000 ] - [ 0.0000131100000000, 0.0003335700000000, -0.0001095600000000 ] - [ -0.0001130200000000, 0.0007852000000000, -0.0009682400000000 ] - [ 0.0001480600000000, 0.0000185800000000, -0.0003362500000000 ] - [ 0.0045773300000000, -0.0033377100000000, 0.0000882300000000 ] - [ -0.0001184300000000, 0.0004652600000000, -0.0000460400000000 ] - [ -0.0008089800000000, -0.0000411700000000, -0.0006487300000000 ] - [ 0.0001751700000000, 0.0007581700000000, -0.0002237300000000 ] - [ -0.0002755600000000, 0.0003773100000000, 0.0000287600000000 ] - [ -0.0029778400000000, 0.0017382600000000, 0.0004893300000000 ] - [ -0.0369311500000000, 0.0228093200000000, 0.0352607700000000 ] - [ -0.0000947900000000, 0.0003497400000000, -0.0000172400000000 ] - [ -0.0016777100000000, 0.0012406200000000, -0.0004248400000000 ] - [ -0.0012207600000000, 0.0002469100000000, -0.0001750500000000 ] - [ 0.0060115900000000, 0.0002721600000000, 0.0000849300000000 ] - [ 0.0000669100000000, 0.0005747900000000, -0.0000049800000000 ] - [ 0.0026097000000000, 0.0004043100000000, -0.0002712200000000 ] - [ 0.0003698100000000, 0.0003844500000000, 0.0000162800000000 ] - [ 0.0001351900000000, 0.0002906500000000, 0.0000127600000000 ] - [ -0.0001591400000000, 0.0002460600000000, -0.0000684600000000 ] - [ -0.0006051900000000, -0.0016765900000000, 0.0029104900000000 ] - [ 0.0001727800000000, 0.0004386900000000, 0.0000475200000000 ] - [ 0.0002123100000000, -0.0001413500000000, 0.0004765200000000 ] - [ 0.0000386000000000, 0.0000347900000000, 0.0000590700000000 ] - [ 0.0003321500000000, 0.0003970800000000, 0.0002433200000000 ] - [ 0.0021348800000000, 0.0013063900000000, 0.0001540500000000 ] - [ -0.0739250000000000, -0.0631914100000000, -0.0282785800000000 ] - [ -0.0000891600000000, 0.0005008800000000, 0.0003546600000000 ] - [ 0.0018800200000000, -0.0057411900000000, 0.0050428100000000 ] - [ -0.0002137000000000, 0.0007185600000000, 0.0001473700000000 ] - [ -0.0001080300000000, 0.0009689200000000, -0.0000010800000000 ] - [ 0.0007504900000000, -0.0045490900000000, 0.0025591000000000 ] - [ 0.0000293800000000, 0.0002531200000000, 0.0001708100000000 ] - [ 0.0006752200000000, 0.0037290000000000, 0.0029340800000000 ] - [ 0.0178415800000000, -0.0023825800000000, -0.0061707000000000 ] - [ 0.0002626100000000, 0.0005187300000000, -0.0000516000000000 ] - [ -0.0059740700000000, 0.0024942000000000, -0.0017519600000000 ] - [ -0.0000855000000000, 0.0004630600000000, -0.0003480200000000 ] - [ 0.0001255800000000, 0.0004657700000000, -0.0001364900000000 ] - [ 0.0012013800000000, 0.0001157500000000, 0.0000544100000000 ] - [ -0.0004497600000000, 0.0002780200000000, -0.0068158000000000 ] - [ -0.0000103300000000, 0.0005016300000000, -0.0000024200000000 ] - [ -0.0002474500000000, -0.0000643300000000, -0.0000285100000000 ] - [ -0.0006334900000000, -0.0001558600000000, -0.0001105800000000 ] - [ -0.0057319200000000, 0.0010420500000000, -0.0019122000000000 ] - [ 0.0000925600000000, -0.0001832700000000, -0.0000694500000000 ] - [ -0.0003781400000000, 0.0013285300000000, 0.0005040400000000 ] - [ -0.0001466500000000, -0.0003428600000000, -0.0000494600000000 ] - [ -0.0046985500000000, 0.0004627600000000, 0.0058990500000000 ] - [ 0.0002136400000000, -0.0003357200000000, 0.0000091000000000 ] - [ 0.0007448100000000, -0.0042833000000000, 0.0055417500000000 ] - [ 0.0000178700000000, -0.0002775000000000, -0.0000362100000000 ] - [ 0.0002168700000000, -0.0001322100000000, -0.0000016800000000 ] - [ 0.0000528500000000, -0.0009150700000000, 0.0000329300000000 ] - [ -0.0025565200000000, -0.0014391500000000, 0.0002851500000000 ] - [ -0.0001489100000000, -0.0003734000000000, 0.0001769300000000 ] - [ -0.0004578800000000, 0.0000587000000000, 0.0000933600000000 ] - [ -0.0004600700000000, -0.0003631300000000, 0.0000464200000000 ] - [ 0.0068516600000000, -0.0028492800000000, -0.0061072200000000 ] - [ 0.0000861000000000, -0.0002390800000000, -0.0001073500000000 ] - [ 0.0009865700000000, 0.0010905100000000, -0.0015481000000000 ] - [ 0.0000954200000000, -0.0002316000000000, -0.0004062100000000 ] - [ -0.0084462000000000, 0.0004969700000000, -0.0051061600000000 ] - [ -0.0000346400000000, -0.0005338900000000, 0.0001193100000000 ] - [ -0.0013044300000000, 0.0020402900000000, 0.0000259500000000 ] - [ -0.0000352900000000, -0.0003773500000000, -0.0001265500000000 ] - [ 0.1472675600000000, 0.0786225700000000, -0.0025224800000000 ] - [ -0.0000389100000000, -0.0003613500000000, -0.0000561100000000 ] - [ 0.0080508100000000, 0.0027574800000000, -0.0008541500000000 ] - [ 0.0002592500000000, -0.0003310300000000, 0.0000670800000000 ] - [ 0.0006773500000000, -0.0135542300000000, -0.0090663900000000 ] - [ 0.0000314200000000, -0.0002433900000000, -0.0000917900000000 ] - [ 0.0002429400000000, -0.0001811100000000, 0.0000121900000000 ] - [ 0.0004514700000000, -0.0020155100000000, 0.0000689700000000 ] - [ -0.0318217000000000, -0.0196744600000000, 0.0001155300000000 ] - [ -0.0002550700000000, -0.0001567100000000, -0.0000787800000000 ] - [ -0.0014587100000000, -0.0006704300000000, -0.0009309700000000 ] - [ -0.0000756100000000, -0.0001086100000000, -0.0001574000000000 ] - [ -0.0019467300000000, 0.0003525000000000, -0.0006410700000000 ] - [ -0.0002162200000000, -0.0002882500000000, 0.0000443500000000 ] - [ 0.0026731500000000, 0.0016358400000000, -0.0030318200000000 ] - [ 0.0003523000000000, -0.0002102700000000, 0.0000416200000000 ] - [ -0.0016638200000000, 0.0064854100000000, 0.0023850300000000 ] - [ 0.0000350300000000, -0.0004434800000000, 0.0001433200000000 ] - [ 0.0003179400000000, -0.0007396100000000, -0.0000270000000000 ] - [ 0.0004385200000000, 0.0012868600000000, 0.0000900900000000 ] - [ 0.0020199900000000, -0.0004773800000000, 0.0076952500000000 ] - [ 0.0000933800000000, -0.0003569200000000, 0.0000731500000000 ] - [ 0.0013555000000000, -0.0003284800000000, 0.0009443300000000 ] - [ 0.0001475200000000, -0.0001184700000000, 0.0000902400000000 ] - [ -0.0044820900000000, 0.0023477800000000, 0.0019476800000000 ] - [ -0.0000027400000000, -0.0004923900000000, -0.0001114600000000 ] - [ -0.0037279000000000, -0.0023082200000000, 0.0025098100000000 ] - [ -0.0001833000000000, -0.0001673700000000, 0.0000831500000000 ] - [ 0.0007862700000000, -0.0005840700000000, -0.0012484000000000 ] - [ 0.0000318300000000, -0.0000989900000000, 0.0002837400000000 ] - [ -0.0001507600000000, 0.0000260300000000, 0.0014266700000000 ] - [ -0.0000639800000000, -0.0002259100000000, 0.0001251500000000 ] - [ -0.0004092500000000, -0.0004435700000000, 0.0001873400000000 ] - [ -0.0004116000000000, -0.0001634700000000, -0.0000063800000000 ] - [ -0.0013025200000000, 0.0002392800000000, 0.0000734200000000 ] - [ 0.0000556100000000, -0.0004165900000000, -0.0001763000000000 ] - [ -0.0004765200000000, -0.0001751100000000, 0.0022307500000000 ] - [ 0.0000115300000000, -0.0002621000000000, 0.0000361200000000 ] - [ 0.0001668200000000, -0.0001494600000000, 0.0002821800000000 ] - [ 0.0001750400000000, -0.0003070900000000, 0.0001889400000000 ] - [ 0.0007531200000000, 0.0013553800000000, 0.0015068500000000 ] - [ -0.0002142100000000, -0.0003279700000000, -0.0000002300000000 ] - [ 0.0004316100000000, 0.0000437300000000, -0.0000852000000000 ] - [ 0.0000571500000000, -0.0002880800000000, 0.0001648200000000 ] - [ -0.0015253000000000, 0.0011471900000000, -0.0021366700000000 ] - [ -0.0001603400000000, -0.0002072300000000, 0.0000155800000000 ] - [ 0.0001607800000000, -0.0001073600000000, -0.0000196200000000 ] - [ 0.0005523700000000, -0.0001118200000000, -0.0001692600000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017985700000000, 0.0152487900000000, 0.0032532600000000 ] - [ 0.0000488100000000, -0.0017574500000000, 0.0000538000000000 ] - [ 0.0059336800000000, -0.0029753200000000, -0.0003631300000000 ] - [ -0.0006342800000000, -0.0020630900000000, 0.0004667400000000 ] - [ 0.0019217500000000, 0.0041572700000000, -0.0013484300000000 ] - [ 0.0000104700000000, -0.0016716400000000, -0.0000046600000000 ] - [ -0.0004495200000000, -0.0002673000000000, 0.0005059000000000 ] - [ 0.0003332300000000, -0.0016384900000000, -0.0003286900000000 ] - [ -0.0006375000000000, 0.0042284500000000, -0.0012627400000000 ] - [ -0.0001507100000000, -0.0022327300000000, -0.0000497100000000 ] - [ 0.0014170600000000, -0.0002900200000000, -0.0014080500000000 ] - [ -0.0002976400000000, -0.0020493000000000, 0.0003309400000000 ] - [ -0.0001880800000000, -0.0029720300000000, -0.0006839400000000 ] - [ 0.0000378900000000, -0.0030801100000000, 0.0026237300000000 ] - [ -0.0209244900000000, 0.0649479400000000, 0.0564417100000000 ] - [ -0.0000288700000000, -0.0030874700000000, 0.0000534300000000 ] - [ -0.0035114600000000, -0.0063067600000000, 0.0108245300000000 ] - [ 0.0006980800000000, -0.0038137100000000, -0.0000801600000000 ] - [ -0.0016193900000000, 0.0050945200000000, -0.0003201500000000 ] - [ -0.0000083100000000, -0.0025636900000000, 0.0000056500000000 ] - [ -0.0002437900000000, -0.0006771700000000, 0.0000668100000000 ] - [ -0.0001921100000000, -0.0023848200000000, 0.0000375100000000 ] - [ -0.0001177400000000, -0.0016778100000000, 0.0001791300000000 ] - [ 0.0015476500000000, 0.0001305400000000, -0.0012985800000000 ] - [ 0.0042951600000000, 0.0042638600000000, -0.0078311900000000 ] - [ 0.0001130900000000, -0.0022331800000000, 0.0000717500000000 ] - [ 0.0001972100000000, 0.0000761600000000, 0.0000226200000000 ] - [ -0.0001255500000000, -0.0002115600000000, -0.0000761300000000 ] - [ -0.0003115400000000, -0.0020051900000000, 0.0001986200000000 ] - [ 0.0009617900000000, 0.0000168300000000, 0.0003908700000000 ] - [ 0.0651170600000000, 0.1579377200000000, 0.0626960800000000 ] - [ 0.0001449500000000, -0.0031426800000000, 0.0004964400000000 ] - [ 0.0007566800000000, 0.0062558400000000, -0.0009540000000000 ] - [ -0.0003457600000000, -0.0027450400000000, 0.0000413200000000 ] - [ -0.0009797400000000, -0.0035693200000000, -0.0002081900000000 ] - [ 0.0036484700000000, -0.0051732000000000, 0.0012256800000000 ] - [ 0.0005965100000000, -0.0037689800000000, 0.0011233700000000 ] - [ -0.0024024100000000, -0.0098270900000000, -0.0065737000000000 ] - [ -0.0101740800000000, 0.0054916600000000, 0.0050614100000000 ] - [ 0.0003406800000000, -0.0026188400000000, -0.0000948300000000 ] - [ -0.0016332700000000, 0.0078058900000000, 0.0010604200000000 ] - [ -0.0000445200000000, -0.0029951300000000, -0.0005058500000000 ] - [ 0.0004645100000000, -0.0018624100000000, -0.0005230000000000 ] - [ -0.0028928600000000, 0.0007421600000000, -0.0000740400000000 ] - [ -0.0022461600000000, 0.0094901800000000, 0.0034811900000000 ] - [ 0.0001583900000000, -0.0028137500000000, -0.0001591900000000 ] - [ -0.0000013800000000, 0.0005877900000000, -0.0000456000000000 ] - [ -0.0007020000000000, -0.0000840700000000, 0.0003347200000000 ] - [ 0.0031320800000000, -0.0018742300000000, 0.0006014100000000 ] - [ 0.0001142800000000, 0.0010177400000000, -0.0000373300000000 ] - [ -0.0019220700000000, -0.0009509300000000, 0.0011093800000000 ] - [ 0.0005572600000000, 0.0016666600000000, -0.0001094100000000 ] - [ 0.0017288800000000, -0.0052097000000000, -0.0000059000000000 ] - [ -0.0004319100000000, 0.0016687600000000, -0.0001668500000000 ] - [ 0.0044653000000000, 0.0019299100000000, -0.0097089400000000 ] - [ -0.0007731000000000, 0.0019542200000000, 0.0002190800000000 ] - [ -0.0008127400000000, 0.0021501600000000, 0.0016866600000000 ] - [ 0.0006524000000000, 0.0018623300000000, -0.0004912300000000 ] - [ 0.0012422800000000, -0.0015558900000000, 0.0003756400000000 ] - [ 0.0002491800000000, 0.0014988100000000, -0.0003202200000000 ] - [ -0.0004552900000000, 0.0009731500000000, 0.0002552600000000 ] - [ -0.0000658900000000, 0.0010247300000000, 0.0002591500000000 ] - [ 0.0028514700000000, 0.0022621100000000, 0.0177119500000000 ] - [ 0.0000688900000000, 0.0010262500000000, -0.0002101500000000 ] - [ -0.0014429200000000, 0.0023494800000000, -0.0015628200000000 ] - [ 0.0002853200000000, 0.0013440000000000, -0.0001792400000000 ] - [ 0.0014196900000000, -0.0056563900000000, 0.0019318900000000 ] - [ 0.0002425100000000, 0.0016716200000000, -0.0004658000000000 ] - [ -0.0008462500000000, -0.0014005800000000, -0.0009804400000000 ] - [ 0.0000341200000000, 0.0019275600000000, 0.0004691700000000 ] - [ -0.0814797100000000, -0.2969278800000000, -0.1569016400000000 ] - [ 0.0003149600000000, 0.0019675400000000, 0.0005192400000000 ] - [ 0.0031010800000000, 0.0343773800000000, -0.0029900300000000 ] - [ -0.0004420000000000, 0.0023809000000000, -0.0008142400000000 ] - [ 0.0107059700000000, 0.0260417200000000, 0.0203702500000000 ] - [ 0.0002643100000000, 0.0022316700000000, 0.0003893400000000 ] - [ -0.0017305400000000, 0.0042315100000000, -0.0029548700000000 ] - [ -0.0003871800000000, 0.0045215800000000, -0.0003207100000000 ] - [ 0.0221495100000000, 0.0019330400000000, -0.0019404700000000 ] - [ -0.0004252700000000, 0.0010311700000000, -0.0000536100000000 ] - [ 0.0043746000000000, 0.0014029700000000, 0.0018140500000000 ] - [ -0.0006538400000000, 0.0009368200000000, -0.0003146200000000 ] - [ -0.0020299700000000, 0.0003981000000000, -0.0003828800000000 ] - [ 0.0005442400000000, 0.0008677300000000, 0.0001986600000000 ] - [ 0.0000514500000000, -0.0025114500000000, -0.0014344100000000 ] - [ 0.0003606100000000, 0.0010453700000000, 0.0000816800000000 ] - [ -0.0068513400000000, 0.0039061800000000, 0.0040305200000000 ] - [ -0.0002241300000000, 0.0021001700000000, -0.0005509700000000 ] - [ 0.0016852900000000, 0.0025502500000000, -0.0007508900000000 ] - [ -0.0001949500000000, 0.0024217400000000, 0.0006300700000000 ] - [ -0.0004636500000000, -0.0083275900000000, 0.0027343800000000 ] - [ -0.0003088900000000, 0.0018935800000000, -0.0005293600000000 ] - [ 0.0004310700000000, -0.0023721800000000, -0.0033064000000000 ] - [ 0.0002036400000000, 0.0021701200000000, 0.0007750100000000 ] - [ 0.0015266800000000, -0.0050424700000000, -0.0021866100000000 ] - [ -0.0002434400000000, 0.0016342200000000, 0.0004566000000000 ] - [ 0.0017355100000000, 0.0000437200000000, -0.0009459700000000 ] - [ 0.0000944300000000, 0.0018106600000000, -0.0004486500000000 ] - [ -0.0012097500000000, 0.0015519700000000, 0.0041300100000000 ] - [ 0.0002112100000000, 0.0009801300000000, -0.0002449100000000 ] - [ 0.0002998700000000, -0.0021466200000000, 0.0005133700000000 ] - [ -0.0000752600000000, 0.0009774000000000, 0.0001903500000000 ] - [ 0.0002725200000000, 0.0009813900000000, -0.0003393600000000 ] - [ 0.0006866900000000, 0.0010255500000000, -0.0003906800000000 ] - [ 0.0004965000000000, -0.0022674600000000, -0.0005473200000000 ] - [ -0.0003113300000000, 0.0014966000000000, 0.0003583600000000 ] - [ 0.0000846900000000, -0.0022986400000000, -0.0003105700000000 ] - [ 0.0006151400000000, 0.0015583400000000, -0.0001040600000000 ] - [ -0.0003605600000000, 0.0007864700000000, 0.0001217000000000 ] - [ -0.0003972300000000, 0.0009384400000000, 0.0002070800000000 ] - [ -0.0023998800000000, -0.0047100000000000, 0.0000330500000000 ] - [ 0.0003690000000000, 0.0016410800000000, 0.0002092700000000 ] - [ -0.0009508400000000, -0.0003238500000000, 0.0015241900000000 ] - [ -0.0003989100000000, 0.0015943400000000, -0.0000085700000000 ] - [ 0.0004414900000000, -0.0019121600000000, 0.0025236800000000 ] - [ -0.0000863900000000, 0.0010339900000000, 0.0000579000000000 ] - [ 0.0001360100000000, 0.0007227000000000, 0.0003624900000000 ] - [ 0.0004965200000000, 0.0000577000000000, -0.0006943400000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023143600000000, -0.0153839700000000, -0.0031121200000000 ] - [ -0.0000737300000000, 0.0018067300000000, 0.0000590800000000 ] - [ -0.0059136700000000, 0.0029052500000000, 0.0003910600000000 ] - [ 0.0006095900000000, 0.0019975700000000, -0.0004288800000000 ] - [ -0.0018641000000000, -0.0041317700000000, 0.0012235400000000 ] - [ 0.0000230200000000, 0.0017159200000000, -0.0001211400000000 ] - [ 0.0004673700000000, 0.0002203100000000, -0.0005199500000000 ] - [ -0.0003163100000000, 0.0015734100000000, 0.0003026100000000 ] - [ 0.0002741600000000, -0.0041626300000000, 0.0011760600000000 ] - [ -0.0002154300000000, 0.0022651000000000, -0.0000261000000000 ] - [ -0.0014095700000000, 0.0006269500000000, 0.0013954000000000 ] - [ 0.0002977900000000, 0.0023707900000000, -0.0003308600000000 ] - [ 0.0000098900000000, 0.0029773300000000, 0.0006585500000000 ] - [ -0.0002061000000000, 0.0030872900000000, -0.0026561300000000 ] - [ 0.0220404300000000, -0.0662778700000000, -0.0590267900000000 ] - [ 0.0000276900000000, 0.0028123900000000, -0.0000521000000000 ] - [ 0.0034800000000000, 0.0059753200000000, -0.0107364200000000 ] - [ -0.0007027700000000, 0.0034966800000000, 0.0000801000000000 ] - [ 0.0016068800000000, -0.0049150300000000, 0.0003192200000000 ] - [ 0.0000090800000000, 0.0027600400000000, -0.0000058200000000 ] - [ 0.0002450000000000, 0.0004578200000000, -0.0000657500000000 ] - [ 0.0001925200000000, 0.0021457900000000, -0.0000386000000000 ] - [ 0.0002940400000000, 0.0016932300000000, -0.0001578300000000 ] - [ -0.0013767400000000, -0.0001306100000000, 0.0013244900000000 ] - [ -0.0039286700000000, -0.0042178300000000, 0.0078971100000000 ] - [ 0.0002537600000000, 0.0022657700000000, 0.0000043600000000 ] - [ -0.0001995600000000, -0.0001283600000000, -0.0000225900000000 ] - [ 0.0001237800000000, 0.0001597200000000, 0.0000764700000000 ] - [ 0.0003612500000000, 0.0020154700000000, 0.0002087000000000 ] - [ -0.0009112000000000, -0.0000195300000000, 0.0000135000000000 ] - [ -0.0603506300000000, -0.1509298100000000, -0.0575494000000000 ] - [ -0.0001016500000000, 0.0031298900000000, 0.0002162800000000 ] - [ -0.0012440300000000, -0.0059553300000000, 0.0011017200000000 ] - [ -0.0001102100000000, 0.0029969100000000, 0.0001141200000000 ] - [ 0.0007833800000000, 0.0035962500000000, 0.0000206800000000 ] - [ -0.0038487800000000, 0.0052053000000000, -0.0013979900000000 ] - [ -0.0004030400000000, 0.0037939800000000, -0.0009274200000000 ] - [ 0.0025879800000000, 0.0098645900000000, 0.0067597700000000 ] - [ 0.0106394100000000, -0.0052248900000000, -0.0052166600000000 ] - [ 0.0001148000000000, 0.0028708500000000, -0.0000606800000000 ] - [ 0.0015791000000000, -0.0077147100000000, -0.0018002100000000 ] - [ -0.0000001400000000, 0.0029828600000000, -0.0002073100000000 ] - [ -0.0005126000000000, 0.0018743800000000, 0.0001122100000000 ] - [ 0.0028489400000000, -0.0007434800000000, -0.0003302500000000 ] - [ 0.0022571700000000, -0.0094454000000000, -0.0034615200000000 ] - [ -0.0001571800000000, 0.0028743600000000, 0.0001576800000000 ] - [ -0.0002825500000000, -0.0005178800000000, 0.0000219200000000 ] - [ 0.0004247700000000, 0.0001575600000000, -0.0003584600000000 ] - [ -0.0028494300000000, 0.0018576600000000, -0.0006650800000000 ] - [ 0.0001599400000000, -0.0010248900000000, -0.0000282900000000 ] - [ 0.0019261100000000, 0.0010177900000000, -0.0012621200000000 ] - [ -0.0005367700000000, -0.0015839900000000, -0.0000538200000000 ] - [ -0.0014596800000000, 0.0051544200000000, -0.0000711200000000 ] - [ 0.0006763700000000, -0.0017197200000000, 0.0001197000000000 ] - [ -0.0047033000000000, -0.0019203000000000, 0.0097496700000000 ] - [ 0.0005684900000000, -0.0019348600000000, -0.0002370100000000 ] - [ 0.0006623600000000, -0.0021877400000000, -0.0016778300000000 ] - [ -0.0007951900000000, -0.0019022400000000, 0.0004852000000000 ] - [ -0.0013170500000000, 0.0013968400000000, -0.0001756000000000 ] - [ -0.0003290400000000, -0.0016701700000000, 0.0005212400000000 ] - [ 0.0004052600000000, -0.0007829800000000, -0.0000125900000000 ] - [ 0.0000180800000000, -0.0008261200000000, -0.0000111000000000 ] - [ -0.0026556900000000, -0.0023819500000000, -0.0177824600000000 ] - [ 0.0000598800000000, -0.0011172400000000, 0.0000057000000000 ] - [ 0.0014215900000000, -0.0023287200000000, 0.0009426800000000 ] - [ -0.0003071200000000, -0.0013101300000000, -0.0004444100000000 ] - [ -0.0013223700000000, 0.0052898400000000, -0.0018442400000000 ] - [ -0.0001942000000000, -0.0020391000000000, 0.0005270100000000 ] - [ 0.0008895500000000, 0.0015102100000000, 0.0009618300000000 ] - [ 0.0000100700000000, -0.0017959700000000, -0.0004752100000000 ] - [ 0.0760311100000000, 0.2907728900000000, 0.1550574500000000 ] - [ -0.0003393800000000, -0.0020332700000000, -0.0004701300000000 ] - [ -0.0031161800000000, -0.0334629900000000, 0.0028505300000000 ] - [ 0.0003851200000000, -0.0021846600000000, 0.0006807000000000 ] - [ -0.0108027200000000, -0.0263135100000000, -0.0207208900000000 ] - [ -0.0001879100000000, -0.0022016100000000, -0.0004379400000000 ] - [ 0.0016300200000000, -0.0042711100000000, 0.0028424400000000 ] - [ 0.0003015700000000, -0.0045998200000000, 0.0002363400000000 ] - [ -0.0226240700000000, -0.0020069600000000, 0.0018412000000000 ] - [ -0.0001823000000000, -0.0010538400000000, -0.0000571600000000 ] - [ -0.0043501700000000, -0.0014413300000000, -0.0020260100000000 ] - [ 0.0006926500000000, -0.0009677400000000, 0.0001074300000000 ] - [ 0.0019866900000000, -0.0004267200000000, 0.0005857200000000 ] - [ -0.0005858200000000, -0.0008995900000000, 0.0000075900000000 ] - [ 0.0005721200000000, 0.0024561900000000, 0.0015578400000000 ] - [ 0.0002470800000000, -0.0010675100000000, 0.0000285900000000 ] - [ 0.0068021500000000, -0.0038636000000000, -0.0040189900000000 ] - [ 0.0001477200000000, -0.0020722700000000, 0.0005989100000000 ] - [ -0.0015839500000000, -0.0026063100000000, 0.0008245400000000 ] - [ 0.0002856500000000, -0.0024826700000000, -0.0005470600000000 ] - [ 0.0004409500000000, 0.0082516900000000, -0.0026604000000000 ] - [ 0.0003347700000000, -0.0019589900000000, 0.0004778800000000 ] - [ -0.0003756300000000, 0.0025306800000000, 0.0034146500000000 ] - [ -0.0001466500000000, -0.0019729200000000, -0.0006398000000000 ] - [ -0.0015741200000000, 0.0046679800000000, 0.0021187200000000 ] - [ 0.0001940300000000, -0.0020014500000000, -0.0005172600000000 ] - [ -0.0017815200000000, 0.0000751500000000, 0.0009559800000000 ] - [ -0.0001384900000000, -0.0016781300000000, 0.0004547200000000 ] - [ 0.0012495200000000, -0.0015262500000000, -0.0035245800000000 ] - [ -0.0001842700000000, -0.0009498700000000, 0.0008652400000000 ] - [ -0.0004272200000000, 0.0020341800000000, -0.0002893200000000 ] - [ -0.0000538100000000, -0.0010679600000000, 0.0000142800000000 ] - [ -0.0002245400000000, -0.0007922200000000, 0.0000950400000000 ] - [ -0.0006419500000000, -0.0008291800000000, 0.0001430500000000 ] - [ -0.0004209000000000, 0.0021057700000000, 0.0003502100000000 ] - [ 0.0003894600000000, -0.0016689400000000, -0.0005579800000000 ] - [ 0.0001123400000000, 0.0023274000000000, 0.0003357300000000 ] - [ -0.0004133200000000, -0.0015426500000000, 0.0001220000000000 ] - [ 0.0005031900000000, -0.0008354100000000, -0.0001129100000000 ] - [ 0.0005399000000000, -0.0009776800000000, -0.0002001600000000 ] - [ 0.0021437400000000, 0.0046534200000000, 0.0000199000000000 ] - [ -0.0006150100000000, -0.0016938100000000, -0.0001617800000000 ] - [ 0.0009316300000000, 0.0003952300000000, -0.0013573400000000 ] - [ 0.0003774400000000, -0.0015111700000000, 0.0001717300000000 ] - [ -0.0007062500000000, 0.0018942600000000, -0.0024442800000000 ] - [ -0.0001877500000000, -0.0010419500000000, 0.0000082900000000 ] - [ 0.0001480800000000, -0.0006528000000000, -0.0003352600000000 ] - [ -0.0002196300000000, 0.0000147100000000, 0.0007168200000000 ]- atom: 71 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0106140600000000, -0.0004218900000000, 0.0097756300000000 ] - [ -0.0000087200000000, -0.0002193500000000, 0.0001215100000000 ] - [ 0.0004961900000000, -0.0012541100000000, 0.0007726600000000 ] - [ -0.0001126600000000, -0.0001669900000000, 0.0006484600000000 ] - [ 0.0047623800000000, -0.0008948300000000, -0.0033146700000000 ] - [ 0.0000512100000000, -0.0001964000000000, -0.0001152900000000 ] - [ 0.0008847400000000, 0.0004699600000000, -0.0010736400000000 ] - [ 0.0002368300000000, -0.0004091800000000, -0.0004448700000000 ] - [ 0.0045318200000000, -0.0023437000000000, -0.0016776900000000 ] - [ -0.0000707900000000, -0.0001871900000000, -0.0000645300000000 ] - [ 0.0011537800000000, -0.0014471500000000, -0.0006501400000000 ] - [ 0.0003320000000000, 0.0003942100000000, -0.0003809800000000 ] - [ -0.0002680500000000, -0.0007947000000000, 0.0000062700000000 ] - [ -0.0034044000000000, 0.0039063500000000, 0.0007196300000000 ] - [ -0.0463373300000000, 0.0614555600000000, 0.0987996300000000 ] - [ -0.0000318800000000, -0.0005005400000000, 0.0000339100000000 ] - [ -0.0011857800000000, 0.0011366600000000, 0.0025118600000000 ] - [ -0.0000669600000000, -0.0012368400000000, 0.0001140800000000 ] - [ 0.0018511300000000, 0.0003972500000000, 0.0001942300000000 ] - [ 0.0000086800000000, -0.0002736900000000, -0.0000158700000000 ] - [ 0.0008196800000000, 0.0002984100000000, -0.0002723700000000 ] - [ 0.0000353800000000, -0.0004026300000000, 0.0000672700000000 ] - [ 0.0001993300000000, -0.0002186900000000, -0.0000944400000000 ] - [ 0.0013453000000000, 0.0003224200000000, -0.0012872500000000 ] - [ 0.0038702100000000, 0.0005521300000000, -0.0098598000000000 ] - [ 0.0001024200000000, -0.0001933900000000, 0.0000139500000000 ] - [ -0.0002322200000000, 0.0000078600000000, -0.0000804100000000 ] - [ -0.0000740400000000, -0.0000733600000000, -0.0000088000000000 ] - [ 0.0001384000000000, -0.0002644300000000, 0.0002916700000000 ] - [ 0.0015620600000000, 0.0008802200000000, 0.0005685700000000 ] - [ -0.0126162800000000, 0.0177837700000000, 0.0424612700000000 ] - [ 0.0000026500000000, -0.0004562200000000, 0.0005029100000000 ] - [ -0.0055028000000000, -0.0000575600000000, 0.0009766300000000 ] - [ -0.0003074600000000, -0.0003051600000000, 0.0000491800000000 ] - [ -0.0002018900000000, -0.0000072500000000, 0.0002373800000000 ] - [ 0.0010631000000000, -0.0048353400000000, 0.0045840600000000 ] - [ -0.0000190100000000, -0.0002033700000000, 0.0001227800000000 ] - [ -0.0013101600000000, -0.0036233700000000, -0.0028293700000000 ] - [ 0.0066268500000000, 0.0006317900000000, -0.0013604000000000 ] - [ 0.0002850900000000, -0.0003140700000000, -0.0000252000000000 ] - [ -0.0040336500000000, 0.0104440200000000, -0.0072844500000000 ] - [ -0.0000548900000000, -0.0005291000000000, -0.0004888500000000 ] - [ 0.0000086400000000, -0.0003375200000000, -0.0004709100000000 ] - [ -0.0008045100000000, 0.0002687800000000, -0.0015107500000000 ] - [ 0.0036642000000000, 0.0023168400000000, -0.0084571500000000 ] - [ 0.0000720900000000, -0.0003885400000000, -0.0000676800000000 ] - [ -0.0001775800000000, 0.0001267000000000, -0.0000345600000000 ] - [ -0.0006721000000000, -0.0001807000000000, 0.0001014200000000 ] - [ -0.0027056300000000, 0.0002621200000000, -0.0012853900000000 ] - [ 0.0000822300000000, 0.0001236400000000, -0.0000901800000000 ] - [ -0.0014486500000000, 0.0011102100000000, 0.0004481200000000 ] - [ -0.0001009100000000, 0.0000290500000000, -0.0001104800000000 ] - [ -0.0059510800000000, -0.0003478200000000, 0.0049633200000000 ] - [ 0.0000302400000000, 0.0001846100000000, -0.0000427200000000 ] - [ -0.0022151500000000, -0.0085289100000000, 0.0067328000000000 ] - [ -0.0002129800000000, 0.0003799500000000, 0.0000177600000000 ] - [ -0.0000981600000000, 0.0007577100000000, -0.0001608100000000 ] - [ -0.0000386600000000, -0.0012598600000000, -0.0003060300000000 ] - [ -0.0011936000000000, -0.0009739200000000, -0.0005434700000000 ] - [ -0.0000318800000000, 0.0001204600000000, 0.0000289600000000 ] - [ -0.0003092400000000, 0.0001996200000000, -0.0000432800000000 ] - [ -0.0002603700000000, 0.0000398400000000, -0.0000357400000000 ] - [ 0.0085409900000000, 0.0146777800000000, 0.0194634300000000 ] - [ 0.0000880400000000, 0.0000639500000000, -0.0001887300000000 ] - [ 0.0012092100000000, 0.0001827700000000, -0.0026340000000000 ] - [ 0.0001683800000000, 0.0001838700000000, -0.0005537700000000 ] - [ -0.0006120900000000, -0.0006825400000000, -0.0019241000000000 ] - [ 0.0000657900000000, 0.0000738600000000, -0.0000394000000000 ] - [ 0.0002602000000000, 0.0000238700000000, -0.0004053200000000 ] - [ 0.0000795700000000, 0.0003477000000000, 0.0000290700000000 ] - [ 0.0738706700000000, -0.0939647200000000, -0.1728080200000000 ] - [ 0.0000443600000000, 0.0002335700000000, 0.0000517300000000 ] - [ 0.0046451700000000, 0.0035839800000000, -0.0075597300000000 ] - [ 0.0000050600000000, 0.0005059500000000, -0.0004153700000000 ] - [ 0.0059596400000000, 0.0096206600000000, 0.0019423200000000 ] - [ 0.0000895800000000, 0.0002441900000000, 0.0000093000000000 ] - [ -0.0000396700000000, 0.0002948700000000, -0.0006199400000000 ] - [ -0.0000226000000000, 0.0015704200000000, -0.0002382200000000 ] - [ -0.0124075500000000, -0.0097388800000000, -0.0068683600000000 ] - [ -0.0003166700000000, 0.0001563800000000, -0.0000951500000000 ] - [ 0.0017103600000000, 0.0004667200000000, 0.0008113000000000 ] - [ 0.0000482300000000, 0.0000925300000000, -0.0000601500000000 ] - [ -0.0017648000000000, 0.0004509700000000, -0.0008834900000000 ] - [ -0.0000832800000000, 0.0000095000000000, 0.0000314100000000 ] - [ 0.0049543300000000, -0.0024490700000000, 0.0013823600000000 ] - [ 0.0003558900000000, 0.0001637600000000, 0.0000758100000000 ] - [ -0.0045142600000000, 0.0072795100000000, 0.0003943900000000 ] - [ -0.0000546800000000, 0.0001647800000000, -0.0000666300000000 ] - [ 0.0002227800000000, -0.0003143600000000, -0.0003992200000000 ] - [ 0.0001379000000000, 0.0016252600000000, -0.0001592100000000 ] - [ -0.0056698400000000, -0.0025920700000000, 0.0170351400000000 ] - [ -0.0000328600000000, 0.0002434300000000, -0.0000705100000000 ] - [ -0.0000916500000000, -0.0029700500000000, -0.0003243800000000 ] - [ 0.0000492500000000, 0.0005824900000000, 0.0003387000000000 ] - [ -0.0021815300000000, -0.0002126400000000, 0.0000995900000000 ] - [ -0.0000719000000000, 0.0000728300000000, 0.0000391400000000 ] - [ -0.0012871300000000, -0.0010952800000000, 0.0009592400000000 ] - [ -0.0000944000000000, 0.0003653100000000, -0.0000627300000000 ] - [ -0.0001522000000000, 0.0006863000000000, 0.0017341000000000 ] - [ 0.0000430300000000, 0.0000610400000000, 0.0003427100000000 ] - [ -0.0006126200000000, -0.0012404900000000, 0.0045480100000000 ] - [ -0.0000899400000000, 0.0000886100000000, 0.0002154200000000 ] - [ -0.0000212600000000, 0.0001224800000000, 0.0002071100000000 ] - [ 0.0000960400000000, 0.0001942100000000, 0.0000823600000000 ] - [ -0.0003870600000000, -0.0002934000000000, 0.0004590200000000 ] - [ -0.0000190900000000, 0.0001455100000000, 0.0000146500000000 ] - [ -0.0020528500000000, -0.0007455700000000, 0.0036388900000000 ] - [ 0.0001406300000000, 0.0002264000000000, 0.0000278000000000 ] - [ -0.0004186700000000, 0.0003184300000000, 0.0004643600000000 ] - [ -0.0002527300000000, -0.0000297700000000, 0.0004379800000000 ] - [ -0.0019708600000000, -0.0008822900000000, 0.0036125900000000 ] - [ -0.0000677500000000, 0.0001824700000000, 0.0000693200000000 ] - [ -0.0019038000000000, 0.0012284800000000, 0.0022002000000000 ] - [ -0.0000712700000000, 0.0001178400000000, 0.0002296700000000 ] - [ 0.0017071100000000, -0.0000791300000000, 0.0030015800000000 ] - [ -0.0000884300000000, 0.0001276700000000, 0.0000907900000000 ] - [ 0.0002003700000000, 0.0002487000000000, 0.0001579000000000 ] - [ 0.0011178200000000, -0.0004911400000000, 0.0008012900000000 ]- atom: 71 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0101733300000000, 0.0001852200000000, -0.0097591000000000 ] - [ -0.0000158300000000, 0.0002779600000000, -0.0000084400000000 ] - [ -0.0005536900000000, 0.0012068800000000, -0.0007402000000000 ] - [ 0.0000883300000000, 0.0001177200000000, -0.0006169800000000 ] - [ -0.0047701300000000, 0.0009487000000000, 0.0031933900000000 ] - [ -0.0000201800000000, 0.0002459100000000, -0.0000097700000000 ] - [ -0.0008718700000000, -0.0005256300000000, 0.0010556200000000 ] - [ -0.0002231300000000, 0.0003630000000000, 0.0004281900000000 ] - [ -0.0048819000000000, 0.0023548400000000, 0.0016218900000000 ] - [ -0.0002915600000000, 0.0002297000000000, -0.0000114800000000 ] - [ -0.0011635500000000, 0.0017693500000000, 0.0006560500000000 ] - [ -0.0003328900000000, -0.0000563300000000, 0.0003818300000000 ] - [ 0.0000933800000000, 0.0008191400000000, -0.0000207800000000 ] - [ 0.0032162400000000, -0.0038903300000000, -0.0007291000000000 ] - [ 0.0482199900000000, -0.0661467400000000, -0.1035334000000000 ] - [ 0.0000313300000000, 0.0002382600000000, -0.0000334100000000 ] - [ 0.0012067400000000, -0.0014262600000000, -0.0025827600000000 ] - [ 0.0000679600000000, 0.0009347600000000, -0.0001144300000000 ] - [ -0.0018553700000000, -0.0002150900000000, -0.0001931100000000 ] - [ -0.0000085400000000, 0.0004786100000000, 0.0000160100000000 ] - [ -0.0008154200000000, -0.0005280200000000, 0.0002722700000000 ] - [ -0.0000364900000000, 0.0001779700000000, -0.0000668100000000 ] - [ -0.0000229800000000, 0.0002350700000000, 0.0001134800000000 ] - [ -0.0011627700000000, -0.0002967700000000, 0.0013062900000000 ] - [ -0.0035273500000000, -0.0005335500000000, 0.0099687200000000 ] - [ 0.0002596500000000, 0.0002359800000000, 0.0000633100000000 ] - [ 0.0002324800000000, -0.0000589200000000, 0.0000826700000000 ] - [ 0.0000735000000000, 0.0000233500000000, 0.0000108500000000 ] - [ -0.0000852200000000, 0.0002796600000000, 0.0001213200000000 ] - [ -0.0015148300000000, -0.0008681700000000, -0.0001533700000000 ] - [ 0.0123705500000000, -0.0184650400000000, -0.0423729800000000 ] - [ 0.0000391100000000, 0.0004546000000000, 0.0002065300000000 ] - [ 0.0050660200000000, 0.0003045300000000, -0.0008327700000000 ] - [ -0.0001488400000000, 0.0005679200000000, 0.0001120200000000 ] - [ 0.0000153100000000, 0.0000581800000000, -0.0004224400000000 ] - [ -0.0012520200000000, 0.0048969300000000, -0.0047998700000000 ] - [ 0.0002079400000000, 0.0002549500000000, 0.0000575200000000 ] - [ 0.0015019500000000, 0.0036564700000000, 0.0030147700000000 ] - [ -0.0060896700000000, -0.0004069400000000, 0.0011657300000000 ] - [ 0.0001703600000000, 0.0005777700000000, -0.0001359500000000 ] - [ 0.0040381100000000, -0.0105648200000000, 0.0066051700000000 ] - [ 0.0000122800000000, 0.0005280700000000, -0.0002207000000000 ] - [ -0.0000629900000000, 0.0003518800000000, 0.0000595400000000 ] - [ 0.0007529100000000, -0.0002555300000000, 0.0010965600000000 ] - [ -0.0036774900000000, -0.0022507200000000, 0.0084439000000000 ] - [ -0.0000734200000000, 0.0004575300000000, 0.0000686300000000 ] - [ -0.0001003000000000, -0.0000558400000000, -0.0000005500000000 ] - [ 0.0003947800000000, 0.0002511600000000, -0.0001376700000000 ] - [ 0.0029610900000000, -0.0002668200000000, 0.0011828700000000 ] - [ 0.0001960900000000, -0.0001383300000000, 0.0000004600000000 ] - [ 0.0014828700000000, -0.0010130400000000, -0.0006086200000000 ] - [ 0.0001264300000000, 0.0000505000000000, -0.0000445500000000 ] - [ 0.0061443000000000, 0.0002852800000000, -0.0049699100000000 ] - [ 0.0002273800000000, -0.0002507000000000, 0.0000038300000000 ] - [ 0.0019906700000000, 0.0084494400000000, -0.0066984300000000 ] - [ 0.0000043100000000, -0.0003684400000000, -0.0000333800000000 ] - [ -0.0000461800000000, -0.0008075300000000, 0.0001522000000000 ] - [ -0.0001126800000000, 0.0012095800000000, 0.0003061500000000 ] - [ 0.0011137000000000, 0.0008053700000000, 0.0007346100000000 ] - [ -0.0000485600000000, -0.0002963000000000, 0.0001675800000000 ] - [ 0.0002615900000000, -0.0000052100000000, 0.0002814400000000 ] - [ 0.0002137200000000, 0.0001525300000000, 0.0002730700000000 ] - [ -0.0082768500000000, -0.0146435900000000, -0.0195715300000000 ] - [ 0.0000203700000000, -0.0001625800000000, -0.0000324200000000 ] - [ -0.0012410300000000, -0.0001492600000000, 0.0020161000000000 ] - [ -0.0001994500000000, -0.0001593700000000, -0.0000761200000000 ] - [ 0.0006698100000000, 0.0003211400000000, 0.0019920600000000 ] - [ -0.0000224100000000, -0.0004493200000000, 0.0001012100000000 ] - [ -0.0002224100000000, 0.0001093000000000, 0.0004016800000000 ] - [ -0.0000403500000000, -0.0002265100000000, -0.0000406700000000 ] - [ -0.0751815900000000, 0.0995102600000000, 0.1782436800000000 ] - [ -0.0000675500000000, -0.0003083400000000, -0.0000108200000000 ] - [ -0.0046993100000000, -0.0035522700000000, 0.0074218200000000 ] - [ -0.0000565200000000, -0.0003215000000000, 0.0002763300000000 ] - [ -0.0059197200000000, -0.0096279800000000, -0.0019470500000000 ] - [ -0.0000099200000000, -0.0002253700000000, -0.0000588300000000 ] - [ -0.0000334100000000, -0.0003759300000000, 0.0005482600000000 ] - [ -0.0000569700000000, -0.0016412700000000, 0.0001526800000000 ] - [ 0.0117224600000000, 0.0097264400000000, 0.0068540400000000 ] - [ -0.0002965900000000, -0.0001860800000000, -0.0000289700000000 ] - [ -0.0016710800000000, -0.0004986000000000, -0.0010113800000000 ] - [ -0.0000024700000000, -0.0001264000000000, -0.0001386800000000 ] - [ 0.0017284400000000, -0.0004849000000000, 0.0010886600000000 ] - [ 0.0000369400000000, -0.0000429600000000, 0.0001690300000000 ] - [ -0.0043794400000000, 0.0024489200000000, -0.0012563100000000 ] - [ 0.0002559100000000, -0.0001928600000000, 0.0000491100000000 ] - [ 0.0044724500000000, -0.0073201400000000, -0.0003400100000000 ] - [ -0.0000262700000000, -0.0001459000000000, 0.0001186700000000 ] - [ -0.0001481600000000, 0.0002436400000000, 0.0004936100000000 ] - [ -0.0000591500000000, -0.0017005400000000, 0.0002463000000000 ] - [ 0.0058050600000000, 0.0025399900000000, -0.0173825700000000 ] - [ 0.0000569300000000, -0.0003177300000000, 0.0000283800000000 ] - [ 0.0001421800000000, 0.0031929700000000, 0.0004897500000000 ] - [ -0.0000003300000000, -0.0003980100000000, -0.0001978300000000 ] - [ 0.0021342000000000, -0.0001388600000000, -0.0001427500000000 ] - [ 0.0000269800000000, -0.0004483500000000, -0.0000996800000000 ] - [ 0.0012321300000000, 0.0012170100000000, -0.0009388500000000 ] - [ 0.0000560800000000, -0.0002442600000000, 0.0000748900000000 ] - [ 0.0001757000000000, -0.0006602800000000, -0.0011070900000000 ] - [ -0.0000152100000000, -0.0000348700000000, 0.0002905700000000 ] - [ 0.0004963000000000, 0.0011680100000000, -0.0043485200000000 ] - [ -0.0000187900000000, -0.0001871200000000, 0.0000068100000000 ] - [ 0.0000694300000000, 0.0000713700000000, -0.0004447900000000 ] - [ -0.0000482100000000, -0.0000014200000000, -0.0003207100000000 ] - [ 0.0004694800000000, 0.0001244000000000, -0.0006492300000000 ] - [ 0.0000984600000000, -0.0003221500000000, -0.0002096300000000 ] - [ 0.0022666800000000, 0.0007540500000000, -0.0036292400000000 ] - [ 0.0000668500000000, -0.0002131300000000, -0.0000129100000000 ] - [ 0.0005712700000000, -0.0003601300000000, -0.0004659600000000 ] - [ 0.0004054100000000, -0.0000196100000000, -0.0004391900000000 ] - [ 0.0017330500000000, 0.0008319500000000, -0.0035789300000000 ] - [ -0.0001900300000000, -0.0002492400000000, -0.0000293400000000 ] - [ 0.0018821300000000, -0.0011391000000000, -0.0020507500000000 ] - [ 0.0000451000000000, -0.0000379500000000, -0.0000744200000000 ] - [ -0.0019904400000000, 0.0000703800000000, -0.0029127900000000 ] - [ -0.0001902600000000, -0.0001427700000000, -0.0000003500000000 ] - [ 0.0000755900000000, -0.0001791000000000, -0.0001234800000000 ] - [ -0.0008399800000000, 0.0005621800000000, -0.0007654100000000 ]- atom: 73 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0004148900000000, -0.0011962400000000, 0.0002943400000000 ] - [ -0.0001383100000000, 0.0006455800000000, 0.0001497700000000 ] - [ 0.0121981900000000, -0.0024302100000000, -0.0001367400000000 ] - [ -0.0000146500000000, 0.0002727800000000, 0.0000248800000000 ] - [ 0.0001413400000000, 0.0008183800000000, 0.0009023100000000 ] - [ -0.0001406100000000, 0.0000479700000000, 0.0002787400000000 ] - [ -0.0017450300000000, -0.0010023900000000, 0.0025893400000000 ] - [ 0.0000042800000000, 0.0002963000000000, 0.0000390300000000 ] - [ -0.0048966800000000, -0.0040899000000000, -0.0001674600000000 ] - [ -0.0002518900000000, 0.0004753200000000, -0.0000482900000000 ] - [ 0.0004737400000000, 0.0004788700000000, 0.0052681100000000 ] - [ 0.0000052600000000, 0.0005802700000000, 0.0000017100000000 ] - [ 0.0027609700000000, 0.0016948200000000, -0.0003716400000000 ] - [ 0.0001225400000000, 0.0003513600000000, -0.0000456800000000 ] - [ 0.0018278800000000, 0.0011905000000000, 0.0003521100000000 ] - [ 0.0011843500000000, 0.0002189200000000, 0.0001313600000000 ] - [ 0.0362409100000000, 0.0242174900000000, -0.0361826000000000 ] - [ 0.0000988500000000, 0.0003501900000000, 0.0000180500000000 ] - [ -0.0025517600000000, 0.0005820100000000, 0.0002472800000000 ] - [ -0.0003758800000000, 0.0005644900000000, -0.0000107800000000 ] - [ -0.0058117800000000, -0.0000071000000000, -0.0000255500000000 ] - [ -0.0000670100000000, 0.0003809800000000, 0.0000064000000000 ] - [ 0.0004174800000000, 0.0001007600000000, 0.0000790100000000 ] - [ 0.0000308900000000, 0.0002758700000000, -0.0000063700000000 ] - [ 0.0009399400000000, -0.0013379500000000, -0.0027960000000000 ] - [ 0.0001989500000000, 0.0004516000000000, 0.0000465700000000 ] - [ -0.0000403700000000, 0.0000399500000000, -0.0000664800000000 ] - [ -0.0001871600000000, -0.0001165600000000, -0.0004404400000000 ] - [ -0.0020549000000000, 0.0012639200000000, 0.0001873500000000 ] - [ -0.0003027400000000, 0.0004124000000000, 0.0001610200000000 ] - [ 0.0740792100000000, -0.0670405800000000, 0.0319336400000000 ] - [ 0.0001165100000000, 0.0004959200000000, 0.0003132400000000 ] - [ -0.0024698000000000, -0.0055691000000000, -0.0044996500000000 ] - [ -0.0002411200000000, 0.0007082700000000, 0.0000462800000000 ] - [ -0.0008453400000000, -0.0048757700000000, -0.0029624200000000 ] - [ -0.0000525400000000, 0.0009545800000000, -0.0001852300000000 ] - [ -0.0004964100000000, 0.0037815400000000, -0.0022727500000000 ] - [ 0.0001585700000000, 0.0002286900000000, 0.0000009900000000 ] - [ -0.0172788000000000, -0.0023114900000000, 0.0057892400000000 ] - [ 0.0001883500000000, 0.0005158700000000, -0.0001496500000000 ] - [ 0.0058379800000000, 0.0025567500000000, 0.0010951100000000 ] - [ 0.0000642900000000, 0.0004491600000000, -0.0003177900000000 ] - [ -0.0012345500000000, 0.0000464200000000, -0.0003928700000000 ] - [ -0.0001851100000000, 0.0004715900000000, -0.0002689500000000 ] - [ 0.0009676800000000, -0.0002384800000000, 0.0008276200000000 ] - [ -0.0002833200000000, 0.0007570800000000, 0.0003364100000000 ] - [ 0.0003232700000000, -0.0001442100000000, 0.0000917000000000 ] - [ -0.0000322000000000, -0.0000697800000000, 0.0000167800000000 ] - [ 0.0060665300000000, 0.0009197100000000, 0.0019898100000000 ] - [ 0.0001954900000000, -0.0001835100000000, -0.0000017100000000 ] - [ 0.0064326800000000, 0.0011403000000000, -0.0062179200000000 ] - [ -0.0000561600000000, -0.0002700800000000, -0.0000832300000000 ] - [ 0.0002029400000000, 0.0011682500000000, -0.0005134400000000 ] - [ 0.0003285900000000, -0.0004271800000000, -0.0000226400000000 ] - [ -0.0004021900000000, -0.0000627300000000, -0.0000339500000000 ] - [ -0.0000895700000000, -0.0010055500000000, -0.0001054800000000 ] - [ -0.0012969600000000, -0.0050240700000000, -0.0051708300000000 ] - [ -0.0001872700000000, -0.0002944100000000, 0.0000089400000000 ] - [ 0.0003883200000000, -0.0001223800000000, 0.0000847100000000 ] - [ 0.0004046400000000, -0.0005239700000000, 0.0001769500000000 ] - [ 0.0023449500000000, -0.0011437900000000, 0.0000235000000000 ] - [ 0.0000911600000000, -0.0001953600000000, 0.0000360900000000 ] - [ -0.0066547700000000, -0.0028014100000000, 0.0055875300000000 ] - [ 0.0000297800000000, -0.0002405700000000, -0.0000945200000000 ] - [ -0.0001433100000000, -0.0002372800000000, -0.0002306700000000 ] - [ -0.0010856900000000, 0.0008258500000000, 0.0009552200000000 ] - [ 0.0013511300000000, 0.0017142200000000, 0.0000088700000000 ] - [ 0.0000763600000000, -0.0006085700000000, 0.0001491200000000 ] - [ 0.0075820500000000, 0.0008386800000000, 0.0046096800000000 ] - [ 0.0000818600000000, -0.0002920200000000, -0.0000945900000000 ] - [ -0.0080949900000000, 0.0031385100000000, 0.0007876800000000 ] - [ -0.0002957700000000, -0.0004504200000000, -0.0001040200000000 ] - [ -0.1421384600000000, 0.0776417500000000, 0.0027047100000000 ] - [ 0.0000012000000000, -0.0002360800000000, 0.0000137600000000 ] - [ -0.0002050600000000, -0.0000839500000000, -0.0000463200000000 ] - [ -0.0004243400000000, -0.0018354200000000, -0.0001948500000000 ] - [ -0.0006239300000000, -0.0125119100000000, 0.0084560900000000 ] - [ -0.0000300100000000, -0.0002857900000000, 0.0000256200000000 ] - [ 0.0304110900000000, -0.0198715300000000, -0.0002419500000000 ] - [ -0.0003564700000000, -0.0001524500000000, -0.0000399800000000 ] - [ 0.0001290800000000, -0.0000969000000000, -0.0000345300000000 ] - [ 0.0014608700000000, -0.0006594100000000, 0.0006387300000000 ] - [ 0.0001738100000000, -0.0002997600000000, 0.0001579000000000 ] - [ 0.0018659200000000, 0.0003917000000000, 0.0008640900000000 ] - [ -0.0019100900000000, 0.0015622100000000, 0.0030374900000000 ] - [ 0.0002554000000000, -0.0002072800000000, 0.0000794300000000 ] - [ -0.0003248400000000, -0.0006727500000000, 0.0000834800000000 ] - [ -0.0004507100000000, 0.0014161400000000, -0.0000254500000000 ] - [ 0.0019212600000000, 0.0070909900000000, -0.0024379500000000 ] - [ -0.0000432200000000, -0.0004939800000000, -0.0000755100000000 ] - [ -0.0013252600000000, -0.0004328200000000, -0.0009120800000000 ] - [ -0.0001116600000000, -0.0002118900000000, -0.0000657500000000 ] - [ -0.0023031000000000, -0.0004328000000000, -0.0078077600000000 ] - [ -0.0000567000000000, -0.0002269200000000, -0.0000301600000000 ] - [ 0.0035251500000000, -0.0023805000000000, -0.0024738200000000 ] - [ 0.0001345000000000, -0.0003988600000000, -0.0001066000000000 ] - [ 0.0044258800000000, 0.0026277300000000, -0.0019536100000000 ] - [ -0.0000426300000000, -0.0002509500000000, 0.0000882800000000 ] - [ -0.0000129700000000, -0.0000919200000000, 0.0003545700000000 ] - [ -0.0006937900000000, -0.0006959800000000, 0.0017786500000000 ] - [ 0.0001186900000000, 0.0001562200000000, -0.0013846100000000 ] - [ -0.0000534300000000, -0.0002261200000000, 0.0000747800000000 ] - [ 0.0013407000000000, 0.0004251000000000, -0.0002878700000000 ] - [ 0.0000094300000000, -0.0002361100000000, -0.0000380800000000 ] - [ 0.0004735800000000, -0.0006468800000000, -0.0004046700000000 ] - [ 0.0004726600000000, -0.0003362300000000, -0.0002182200000000 ] - [ -0.0000004300000000, -0.0000789000000000, -0.0002946600000000 ] - [ 0.0000230700000000, -0.0002381600000000, -0.0001301600000000 ] - [ 0.0004079200000000, 0.0001274700000000, -0.0019657000000000 ] - [ 0.0001499300000000, -0.0002783300000000, -0.0000161600000000 ] - [ -0.0006697200000000, -0.0001716100000000, 0.0001622300000000 ] - [ -0.0002117700000000, -0.0003847800000000, -0.0001252600000000 ] - [ -0.0006526300000000, 0.0011532800000000, -0.0010923000000000 ] - [ 0.0000612000000000, -0.0002642600000000, 0.0000737100000000 ] - [ 0.0012071800000000, 0.0011193400000000, 0.0020089600000000 ] - [ -0.0001241500000000, -0.0002041300000000, 0.0000548100000000 ] - [ -0.0002912500000000, -0.0001178500000000, 0.0000807800000000 ] - [ 0.0001199700000000, -0.0001077500000000, 0.0000398100000000 ]- atom: 73 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0004724800000000, 0.0012511000000000, -0.0001807600000000 ] - [ 0.0001135700000000, -0.0005973100000000, -0.0000390400000000 ] - [ -0.0135351500000000, 0.0032258800000000, 0.0003412500000000 ] - [ -0.0000114500000000, -0.0003308300000000, 0.0000071500000000 ] - [ -0.0001005700000000, -0.0007673400000000, -0.0010220300000000 ] - [ 0.0001722000000000, -0.0000053500000000, -0.0004026500000000 ] - [ 0.0017758500000000, 0.0009555000000000, -0.0025931300000000 ] - [ 0.0000134200000000, -0.0003500800000000, -0.0000543900000000 ] - [ 0.0045385200000000, 0.0041496200000000, 0.0000706200000000 ] - [ -0.0001111800000000, -0.0004408600000000, -0.0000286500000000 ] - [ -0.0004896400000000, -0.0001629200000000, -0.0052895700000000 ] - [ -0.0000059500000000, -0.0002514900000000, -0.0000015500000000 ] - [ -0.0029312200000000, -0.0016751000000000, 0.0003578700000000 ] - [ -0.0002970300000000, -0.0003428700000000, 0.0000342000000000 ] - [ -0.0017999700000000, -0.0014834900000000, -0.0003946900000000 ] - [ -0.0011826600000000, -0.0004924700000000, -0.0001313200000000 ] - [ -0.0367048900000000, -0.0241852400000000, 0.0358242700000000 ] - [ -0.0000982300000000, -0.0006630700000000, -0.0000189200000000 ] - [ 0.0025458500000000, -0.0003731500000000, -0.0002456000000000 ] - [ 0.0003759400000000, -0.0003717800000000, 0.0000113300000000 ] - [ 0.0058259700000000, -0.0002412800000000, 0.0000304100000000 ] - [ 0.0000664300000000, -0.0006129500000000, -0.0000066200000000 ] - [ -0.0002442800000000, -0.0000865400000000, -0.0000652600000000 ] - [ 0.0001458900000000, -0.0002624300000000, 0.0000184900000000 ] - [ -0.0005974000000000, 0.0013844700000000, 0.0029203800000000 ] - [ 0.0001644900000000, -0.0004169600000000, 0.0000299200000000 ] - [ 0.0000402400000000, -0.0000906600000000, 0.0000667800000000 ] - [ 0.0001866800000000, 0.0000648200000000, 0.0004404800000000 ] - [ 0.0021097900000000, -0.0012660300000000, 0.0002215400000000 ] - [ 0.0003541200000000, -0.0003976300000000, 0.0002525600000000 ] - [ -0.0741542000000000, 0.0652108700000000, -0.0302333000000000 ] - [ -0.0000741000000000, -0.0005088100000000, 0.0003959400000000 ] - [ 0.0020002000000000, 0.0058658300000000, 0.0047078900000000 ] - [ -0.0002161400000000, -0.0004558600000000, 0.0001146000000000 ] - [ 0.0006616100000000, 0.0049096000000000, 0.0027718900000000 ] - [ -0.0001294500000000, -0.0009180800000000, -0.0000051700000000 ] - [ 0.0006823800000000, -0.0037171600000000, 0.0024415700000000 ] - [ 0.0000266500000000, -0.0001983000000000, 0.0001828700000000 ] - [ 0.0176920600000000, 0.0025604200000000, -0.0059262800000000 ] - [ 0.0002686100000000, -0.0002630300000000, -0.0000126400000000 ] - [ -0.0058952500000000, -0.0025864900000000, -0.0018394900000000 ] - [ -0.0001066800000000, -0.0004614600000000, -0.0003929800000000 ] - [ 0.0011784900000000, -0.0000414500000000, -0.0000200900000000 ] - [ 0.0001313400000000, -0.0004574600000000, -0.0001453900000000 ] - [ -0.0009810800000000, 0.0003032500000000, -0.0008288800000000 ] - [ 0.0002827200000000, -0.0006990000000000, -0.0003369600000000 ] - [ -0.0005997000000000, 0.0002193800000000, -0.0001239700000000 ] - [ -0.0002443000000000, 0.0001424000000000, -0.0000503700000000 ] - [ -0.0057713400000000, -0.0009336000000000, -0.0020774700000000 ] - [ 0.0000830700000000, 0.0001724500000000, -0.0000928000000000 ] - [ -0.0064569000000000, -0.0010515100000000, 0.0061283300000000 ] - [ 0.0000848100000000, 0.0003565200000000, -0.0000723600000000 ] - [ 0.0000667700000000, -0.0012464800000000, 0.0004752000000000 ] - [ -0.0000690800000000, 0.0003636100000000, -0.0000183800000000 ] - [ 0.0001950500000000, 0.0000822900000000, 0.0000103000000000 ] - [ -0.0001235000000000, 0.0010223300000000, 0.0000885500000000 ] - [ 0.0011731700000000, 0.0049901800000000, 0.0051779000000000 ] - [ 0.0000357500000000, 0.0002551700000000, -0.0000081400000000 ] - [ -0.0004628500000000, -0.0000534600000000, 0.0001088100000000 ] - [ -0.0004808100000000, 0.0003578200000000, 0.0000148100000000 ] - [ -0.0023988400000000, 0.0013545500000000, 0.0002157900000000 ] - [ -0.0001371600000000, 0.0003920500000000, 0.0001996000000000 ] - [ 0.0067279000000000, 0.0027345400000000, -0.0058695400000000 ] - [ 0.0000758100000000, 0.0001457800000000, -0.0001325000000000 ] - [ 0.0001117300000000, 0.0002709700000000, -0.0003969700000000 ] - [ 0.0010520800000000, -0.0007963200000000, -0.0015843200000000 ] - [ -0.0013012900000000, -0.0020988800000000, 0.0000497600000000 ] - [ -0.0000315100000000, 0.0002385200000000, -0.0000888400000000 ] - [ -0.0076215800000000, -0.0007118700000000, -0.0046824800000000 ] - [ -0.0000432100000000, 0.0004202300000000, 0.0000846500000000 ] - [ 0.0080655000000000, -0.0030674100000000, -0.0007554500000000 ] - [ 0.0002724700000000, 0.0003808800000000, 0.0001439100000000 ] - [ 0.1437302500000000, -0.0766839000000000, -0.0035482100000000 ] - [ -0.0000543400000000, 0.0004288000000000, -0.0001581000000000 ] - [ 0.0002943700000000, 0.0001261400000000, 0.0000116000000000 ] - [ 0.0005050900000000, 0.0018604100000000, 0.0001467700000000 ] - [ 0.0005796700000000, 0.0124733700000000, -0.0085577000000000 ] - [ -0.0000485600000000, 0.0002278300000000, -0.0001131100000000 ] - [ -0.0306117600000000, 0.0194579100000000, 0.0001453300000000 ] - [ -0.0002582200000000, 0.0001257600000000, -0.0000899300000000 ] - [ -0.0000820800000000, 0.0000678400000000, -0.0001617600000000 ] - [ -0.0014111800000000, 0.0006292800000000, -0.0008346300000000 ] - [ -0.0002198700000000, 0.0002694800000000, 0.0000387400000000 ] - [ -0.0019138800000000, -0.0004179500000000, -0.0006664500000000 ] - [ 0.0025498900000000, -0.0015936600000000, -0.0029138900000000 ] - [ 0.0003587700000000, 0.0001811400000000, 0.0000495600000000 ] - [ 0.0002347700000000, 0.0007015500000000, -0.0000342800000000 ] - [ 0.0003671700000000, -0.0013863800000000, 0.0000741100000000 ] - [ -0.0018423700000000, -0.0071172900000000, 0.0024998500000000 ] - [ 0.0001224900000000, 0.0004340000000000, 0.0001613900000000 ] - [ 0.0013438700000000, 0.0003634100000000, 0.0008788700000000 ] - [ 0.0001359200000000, 0.0001431800000000, 0.0000226600000000 ] - [ 0.0023109200000000, 0.0006194900000000, 0.0079554400000000 ] - [ 0.0001078300000000, 0.0004197800000000, 0.0001750100000000 ] - [ -0.0035555200000000, 0.0019899800000000, 0.0023903400000000 ] - [ -0.0001800700000000, 0.0000288300000000, 0.0000456500000000 ] - [ -0.0044665900000000, -0.0024957700000000, 0.0019539800000000 ] - [ 0.0000055300000000, 0.0003791400000000, -0.0000793400000000 ] - [ 0.0000410900000000, 0.0001242600000000, 0.0002757500000000 ] - [ 0.0007234900000000, 0.0007249400000000, -0.0011475100000000 ] - [ -0.0002242300000000, -0.0002553200000000, 0.0016294100000000 ] - [ -0.0000517100000000, 0.0001313200000000, 0.0001514500000000 ] - [ -0.0012952400000000, -0.0002199300000000, 0.0000432400000000 ] - [ 0.0000378700000000, 0.0004331400000000, -0.0001999600000000 ] - [ -0.0003962400000000, 0.0004697000000000, 0.0002096500000000 ] - [ -0.0003954600000000, 0.0001668200000000, 0.0000258500000000 ] - [ 0.0002151200000000, 0.0000950600000000, 0.0003105700000000 ] - [ 0.0001886900000000, 0.0002547400000000, 0.0001450300000000 ] - [ -0.0002547200000000, -0.0001701900000000, 0.0019690200000000 ] - [ 0.0000031000000000, 0.0002377600000000, 0.0000144300000000 ] - [ 0.0004155900000000, 0.0001065000000000, -0.0001277100000000 ] - [ -0.0000475600000000, 0.0003202400000000, 0.0001666200000000 ] - [ 0.0006307600000000, -0.0010737800000000, 0.0012449500000000 ] - [ -0.0000897400000000, 0.0003510300000000, 0.0000806900000000 ] - [ -0.0014898000000000, -0.0011400900000000, -0.0019386100000000 ] - [ -0.0001540000000000, 0.0001927000000000, 0.0000390700000000 ] - [ 0.0005681100000000, 0.0001910400000000, -0.0000464700000000 ] - [ 0.0001567200000000, 0.0001810800000000, -0.0000080600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0060076000000000, -0.0029124100000000, 0.0004318600000000 ] - [ 0.0005722000000000, -0.0019763800000000, -0.0003228800000000 ] - [ -0.0005836100000000, 0.0143605700000000, -0.0029231100000000 ] - [ -0.0001160100000000, -0.0018477500000000, 0.0000282000000000 ] - [ 0.0004747000000000, -0.0001997800000000, -0.0005238700000000 ] - [ -0.0002895200000000, -0.0015673000000000, 0.0002279400000000 ] - [ -0.0019791700000000, 0.0042598000000000, 0.0014616000000000 ] - [ 0.0000523800000000, -0.0017625700000000, -0.0000748800000000 ] - [ 0.0002154900000000, 0.0038472600000000, 0.0011078200000000 ] - [ -0.0001628900000000, -0.0022492900000000, -0.0000004800000000 ] - [ 0.0014779100000000, 0.0079352500000000, -0.0026143000000000 ] - [ -0.0001017200000000, -0.0022050500000000, 0.0001086100000000 ] - [ -0.0009452900000000, -0.0035351000000000, -0.0024394400000000 ] - [ -0.0001017200000000, -0.0029032500000000, 0.0006522100000000 ] - [ 0.0034944900000000, -0.0062608600000000, -0.0107160600000000 ] - [ -0.0006036200000000, -0.0037539200000000, 0.0001079600000000 ] - [ 0.0234051300000000, 0.0677893900000000, -0.0617381300000000 ] - [ 0.0000362900000000, -0.0031156000000000, -0.0000491400000000 ] - [ 0.0001982800000000, -0.0005207800000000, -0.0000450200000000 ] - [ 0.0001812200000000, -0.0022065800000000, -0.0000341200000000 ] - [ 0.0015750000000000, 0.0048342000000000, 0.0002652700000000 ] - [ 0.0000070100000000, -0.0027698900000000, -0.0000014000000000 ] - [ -0.0011965400000000, 0.0000304000000000, 0.0012080000000000 ] - [ 0.0002758500000000, -0.0016755100000000, -0.0001631900000000 ] - [ -0.0038123700000000, 0.0039780000000000, 0.0079587500000000 ] - [ 0.0001981600000000, -0.0022511500000000, -0.0000190700000000 ] - [ 0.0001376400000000, -0.0002177800000000, 0.0000958700000000 ] - [ -0.0001817300000000, 0.0000878300000000, 0.0000234200000000 ] - [ -0.0009202900000000, 0.0001155000000000, 0.0000639700000000 ] - [ 0.0004075900000000, -0.0020387300000000, 0.0002004100000000 ] - [ -0.0628407000000000, 0.1559943100000000, -0.0611648900000000 ] - [ -0.0000841600000000, -0.0031567800000000, 0.0002339600000000 ] - [ -0.0012144800000000, 0.0064490500000000, 0.0010613800000000 ] - [ -0.0001341500000000, -0.0027459400000000, 0.0001110600000000 ] - [ -0.0035838800000000, -0.0056700900000000, -0.0018601000000000 ] - [ 0.0008542000000000, -0.0035076400000000, -0.0000992200000000 ] - [ 0.0025552800000000, -0.0098076400000000, 0.0056811600000000 ] - [ -0.0004178300000000, -0.0037928300000000, -0.0010862000000000 ] - [ 0.0108724300000000, 0.0056957900000000, -0.0053361700000000 ] - [ 0.0001365500000000, -0.0026328100000000, -0.0000606500000000 ] - [ 0.0016589600000000, 0.0078202200000000, -0.0016852700000000 ] - [ -0.0000126300000000, -0.0030088700000000, -0.0002270900000000 ] - [ 0.0027666200000000, 0.0008166700000000, -0.0004196400000000 ] - [ -0.0005352000000000, -0.0019115600000000, 0.0001277200000000 ] - [ -0.0017714300000000, -0.0004187600000000, 0.0015748000000000 ] - [ 0.0004764400000000, -0.0027415800000000, -0.0004974800000000 ] - [ 0.0003278500000000, -0.0000992800000000, -0.0003130900000000 ] - [ -0.0003201100000000, 0.0005925500000000, 0.0000553300000000 ] - [ -0.0029227500000000, -0.0016349400000000, -0.0007219100000000 ] - [ 0.0001450800000000, 0.0010172400000000, -0.0000161200000000 ] - [ -0.0010900700000000, -0.0053443300000000, -0.0000339600000000 ] - [ 0.0004754300000000, 0.0017318900000000, -0.0000556800000000 ] - [ 0.0017231000000000, -0.0009778400000000, -0.0010324900000000 ] - [ -0.0005327400000000, 0.0016410600000000, -0.0001058000000000 ] - [ 0.0006420100000000, 0.0017575400000000, -0.0016844200000000 ] - [ -0.0008973700000000, 0.0022091500000000, 0.0004826000000000 ] - [ -0.0045531200000000, 0.0039543800000000, 0.0098407100000000 ] - [ 0.0004992000000000, 0.0018347700000000, -0.0001116800000000 ] - [ 0.0004115200000000, 0.0008077700000000, -0.0000612800000000 ] - [ 0.0000133000000000, 0.0008231300000000, -0.0000661300000000 ] - [ -0.0012142900000000, -0.0014474800000000, -0.0001873500000000 ] - [ -0.0003162600000000, 0.0017036700000000, 0.0005352900000000 ] - [ -0.0025125500000000, 0.0022302700000000, -0.0175891600000000 ] - [ 0.0000709700000000, 0.0010355700000000, -0.0000042700000000 ] - [ -0.0003902800000000, 0.0014661300000000, -0.0004818800000000 ] - [ 0.0010930400000000, 0.0019415400000000, 0.0007592100000000 ] - [ 0.0010033200000000, -0.0015756300000000, 0.0010316400000000 ] - [ 0.0000023200000000, 0.0016462800000000, -0.0004440100000000 ] - [ -0.0012964800000000, -0.0053309800000000, -0.0019033200000000 ] - [ -0.0002165700000000, 0.0019563900000000, 0.0004901600000000 ] - [ -0.0027374200000000, 0.0335331300000000, 0.0025730200000000 ] - [ 0.0004081600000000, 0.0022537800000000, 0.0007425100000000 ] - [ 0.0740879000000000, -0.2949024800000000, 0.1600815700000000 ] - [ -0.0003531300000000, 0.0021172100000000, -0.0005795600000000 ] - [ 0.0017881000000000, 0.0044683300000000, 0.0030039200000000 ] - [ 0.0003023300000000, 0.0042985600000000, 0.0003670100000000 ] - [ -0.0098254700000000, 0.0237088300000000, -0.0190418900000000 ] - [ -0.0002921800000000, 0.0022467800000000, -0.0004404100000000 ] - [ -0.0227126200000000, 0.0023058300000000, 0.0017721100000000 ] - [ -0.0002011700000000, 0.0010367700000000, -0.0000607100000000 ] - [ 0.0007284000000000, 0.0009354800000000, 0.0001585000000000 ] - [ -0.0041124100000000, 0.0014410400000000, -0.0017715400000000 ] - [ -0.0005998200000000, 0.0008581500000000, 0.0000091200000000 ] - [ 0.0020305800000000, 0.0004984100000000, 0.0006645700000000 ] - [ 0.0005205500000000, -0.0025042900000000, 0.0015962300000000 ] - [ 0.0002625300000000, 0.0010489600000000, 0.0000333300000000 ] - [ -0.0015426100000000, 0.0024155100000000, 0.0007979500000000 ] - [ 0.0001544900000000, 0.0025483800000000, -0.0005509500000000 ] - [ 0.0075124700000000, 0.0047295600000000, -0.0041844300000000 ] - [ 0.0002358900000000, 0.0020745200000000, 0.0006237100000000 ] - [ -0.0004121200000000, -0.0024615000000000, 0.0032603000000000 ] - [ -0.0001936200000000, 0.0020420600000000, -0.0007106600000000 ] - [ 0.0005281800000000, -0.0084406800000000, -0.0027900900000000 ] - [ 0.0003434200000000, 0.0020424100000000, 0.0005878100000000 ] - [ -0.0017551100000000, -0.0002173100000000, 0.0009713200000000 ] - [ -0.0001158300000000, 0.0015399100000000, 0.0004244400000000 ] - [ -0.0016763400000000, -0.0049790700000000, 0.0021539500000000 ] - [ 0.0002193000000000, 0.0019221400000000, -0.0004833600000000 ] - [ -0.0001753300000000, 0.0009489300000000, 0.0009428000000000 ] - [ 0.0011716900000000, 0.0017195600000000, -0.0031513500000000 ] - [ -0.0004314200000000, -0.0020731500000000, -0.0003161800000000 ] - [ -0.0000624100000000, 0.0009864200000000, 0.0000248200000000 ] - [ -0.0004241200000000, -0.0020793600000000, 0.0003171200000000 ] - [ 0.0003770400000000, 0.0017117300000000, -0.0005810500000000 ] - [ -0.0002182600000000, 0.0008157500000000, 0.0001087400000000 ] - [ -0.0006083700000000, 0.0008146500000000, 0.0001798800000000 ] - [ 0.0007016300000000, 0.0008751400000000, -0.0002382600000000 ] - [ 0.0005699000000000, 0.0010254200000000, -0.0001511200000000 ] - [ 0.0001713000000000, -0.0021718600000000, 0.0001936100000000 ] - [ -0.0003533400000000, 0.0015020600000000, 0.0000356600000000 ] - [ 0.0008096800000000, -0.0002095500000000, -0.0012918000000000 ] - [ 0.0003222900000000, 0.0015721800000000, 0.0002704300000000 ] - [ 0.0021364600000000, -0.0043386700000000, -0.0005996900000000 ] - [ -0.0004313300000000, 0.0017057800000000, 0.0000301400000000 ] - [ -0.0007342500000000, -0.0018086500000000, -0.0024243200000000 ] - [ -0.0001705000000000, 0.0010322900000000, -0.0000016700000000 ] - [ -0.0000190400000000, 0.0000963700000000, 0.0007836700000000 ] - [ 0.0001980800000000, 0.0007256700000000, -0.0003517500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060352300000000, 0.0029770400000000, -0.0003193500000000 ] - [ -0.0005963300000000, 0.0020365000000000, 0.0004375500000000 ] - [ 0.0000929700000000, -0.0142289500000000, 0.0029807200000000 ] - [ 0.0000917500000000, 0.0017873200000000, 0.0000101000000000 ] - [ -0.0004460600000000, 0.0002383100000000, 0.0003989000000000 ] - [ 0.0003238100000000, 0.0016245400000000, -0.0003584400000000 ] - [ 0.0020240600000000, -0.0042970400000000, -0.0014767000000000 ] - [ -0.0000363200000000, 0.0017039600000000, 0.0000503600000000 ] - [ -0.0005792200000000, -0.0038411300000000, -0.0011930800000000 ] - [ -0.0002032100000000, 0.0022896400000000, -0.0000739700000000 ] - [ -0.0014720300000000, -0.0075946700000000, 0.0026306900000000 ] - [ 0.0001022800000000, 0.0025326700000000, -0.0001092200000000 ] - [ 0.0007758400000000, 0.0035560200000000, 0.0024151800000000 ] - [ -0.0000775900000000, 0.0029253400000000, -0.0006788300000000 ] - [ -0.0035264500000000, 0.0060136800000000, 0.0108047800000000 ] - [ 0.0005990100000000, 0.0034883400000000, -0.0001069400000000 ] - [ -0.0222612000000000, -0.0669688800000000, 0.0590391800000000 ] - [ -0.0000371400000000, 0.0028025700000000, 0.0000493200000000 ] - [ -0.0001971200000000, 0.0007096100000000, 0.0000453100000000 ] - [ -0.0001793900000000, 0.0024130200000000, 0.0000326400000000 ] - [ -0.0015850000000000, -0.0050503200000000, -0.0002660900000000 ] - [ -0.0000074900000000, 0.0025358000000000, 0.0000011900000000 ] - [ 0.0013675400000000, -0.0000038700000000, -0.0011875000000000 ] - [ -0.0000975300000000, 0.0016862800000000, 0.0001850800000000 ] - [ 0.0041788700000000, -0.0039508400000000, -0.0078928700000000 ] - [ 0.0001690400000000, 0.0022916900000000, 0.0000937000000000 ] - [ -0.0001395600000000, 0.0001666500000000, -0.0000959800000000 ] - [ 0.0001804300000000, -0.0001392600000000, -0.0000220500000000 ] - [ 0.0009698600000000, -0.0000966000000000, 0.0003459700000000 ] - [ -0.0003570400000000, 0.0020449700000000, 0.0002068800000000 ] - [ 0.0676981900000000, -0.1631941600000000, 0.0665048400000000 ] - [ 0.0001288100000000, 0.0031536500000000, 0.0004803100000000 ] - [ 0.0007293200000000, -0.0062328200000000, -0.0009120200000000 ] - [ -0.0003203600000000, 0.0030064200000000, 0.0000429300000000 ] - [ 0.0033839500000000, 0.0057116100000000, 0.0016833100000000 ] - [ -0.0010514200000000, 0.0035549700000000, -0.0000870100000000 ] - [ -0.0023671100000000, 0.0098415800000000, -0.0054944500000000 ] - [ 0.0006118700000000, 0.0038425400000000, 0.0012833500000000 ] - [ -0.0104088200000000, -0.0054486200000000, 0.0051818900000000 ] - [ 0.0003178200000000, 0.0028949200000000, -0.0000935500000000 ] - [ -0.0017171800000000, -0.0079292400000000, 0.0009441700000000 ] - [ -0.0000331700000000, 0.0030064800000000, -0.0004878100000000 ] - [ -0.0028094400000000, -0.0007987100000000, 0.0000100300000000 ] - [ 0.0004863200000000, 0.0019166100000000, -0.0005379900000000 ] - [ 0.0017815900000000, 0.0004725800000000, -0.0015904800000000 ] - [ -0.0004758400000000, 0.0028159700000000, 0.0004968000000000 ] - [ -0.0006077800000000, 0.0001661700000000, 0.0002866400000000 ] - [ 0.0000432800000000, -0.0005219900000000, -0.0000801700000000 ] - [ 0.0032055300000000, 0.0016331700000000, 0.0006624900000000 ] - [ 0.0001287100000000, -0.0010272000000000, -0.0000467400000000 ] - [ 0.0011430100000000, 0.0054318000000000, -0.0001558500000000 ] - [ -0.0004557500000000, -0.0016553700000000, -0.0001077400000000 ] - [ -0.0014907800000000, 0.0009382700000000, 0.0009938900000000 ] - [ 0.0007803100000000, -0.0016976700000000, 0.0000612200000000 ] - [ -0.0008524500000000, -0.0017453400000000, 0.0016814300000000 ] - [ 0.0006941200000000, -0.0021977700000000, -0.0004998400000000 ] - [ 0.0043680500000000, -0.0039847900000000, -0.0097783500000000 ] - [ -0.0006432700000000, -0.0018846200000000, 0.0001048800000000 ] - [ -0.0004938300000000, -0.0009760400000000, 0.0002602100000000 ] - [ -0.0000958400000000, -0.0010012300000000, 0.0002689600000000 ] - [ 0.0011683700000000, 0.0016313100000000, 0.0004301400000000 ] - [ 0.0002684600000000, -0.0015103000000000, -0.0002906400000000 ] - [ 0.0027111000000000, -0.0022916100000000, 0.0175163100000000 ] - [ 0.0000610800000000, -0.0011289800000000, -0.0001979200000000 ] - [ 0.0003663700000000, -0.0014438400000000, -0.0001431600000000 ] - [ -0.0011118800000000, -0.0019091100000000, -0.0013838600000000 ] - [ -0.0009575700000000, 0.0012243800000000, -0.0009803100000000 ] - [ 0.0000443400000000, -0.0020181100000000, 0.0005063900000000 ] - [ 0.0013813000000000, 0.0054557700000000, 0.0019170400000000 ] - [ 0.0002610600000000, -0.0018306600000000, -0.0004981300000000 ] - [ 0.0027499200000000, -0.0343205400000000, -0.0025254000000000 ] - [ -0.0004321500000000, -0.0023239800000000, -0.0006943000000000 ] - [ -0.0797538500000000, 0.3013328300000000, -0.1622148500000000 ] - [ 0.0002975600000000, -0.0019271000000000, 0.0004461600000000 ] - [ -0.0017279500000000, -0.0044716400000000, -0.0030784500000000 ] - [ -0.0002245600000000, -0.0042662400000000, -0.0004153700000000 ] - [ 0.0095931700000000, -0.0235239700000000, 0.0186785800000000 ] - [ 0.0002073000000000, -0.0023198800000000, 0.0003541200000000 ] - [ 0.0222422500000000, -0.0022827700000000, -0.0018679300000000 ] - [ -0.0004064700000000, -0.0010620300000000, -0.0000487800000000 ] - [ -0.0006903100000000, -0.0009699900000000, -0.0003653300000000 ] - [ 0.0041377300000000, -0.0014679400000000, 0.0015578800000000 ] - [ 0.0005585500000000, -0.0008911400000000, 0.0001960600000000 ] - [ -0.0020731100000000, -0.0005344500000000, -0.0004584900000000 ] - [ 0.0001046800000000, 0.0025119500000000, -0.0014759800000000 ] - [ 0.0003455200000000, -0.0010732800000000, 0.0000757000000000 ] - [ 0.0014801100000000, -0.0023988600000000, -0.0007620600000000 ] - [ -0.0002291200000000, -0.0025316600000000, 0.0006006800000000 ] - [ -0.0073912400000000, -0.0048108000000000, 0.0042294400000000 ] - [ -0.0001488000000000, -0.0021452900000000, -0.0005402500000000 ] - [ 0.0004384700000000, 0.0024286100000000, -0.0033365200000000 ] - [ 0.0002203500000000, -0.0021123700000000, 0.0006609000000000 ] - [ -0.0005216000000000, 0.0086417500000000, 0.0030574900000000 ] - [ -0.0002887000000000, -0.0018515400000000, -0.0004535500000000 ] - [ 0.0017046300000000, -0.0001423500000000, -0.0010296600000000 ] - [ 0.0000678800000000, -0.0019120000000000, -0.0004861000000000 ] - [ 0.0016350400000000, 0.0051121600000000, -0.0021533700000000 ] - [ -0.0002628300000000, -0.0017961500000000, 0.0004909100000000 ] - [ 0.0002053800000000, -0.0009226100000000, -0.0003215400000000 ] - [ -0.0011381500000000, -0.0016873600000000, 0.0037615000000000 ] - [ 0.0003019600000000, 0.0020017300000000, 0.0005367400000000 ] - [ -0.0000696000000000, -0.0010795700000000, 0.0001771000000000 ] - [ 0.0004721700000000, 0.0022653800000000, -0.0005594500000000 ] - [ -0.0003294600000000, -0.0015182500000000, 0.0003355500000000 ] - [ 0.0002971200000000, -0.0009828800000000, -0.0003062800000000 ] - [ 0.0006865600000000, -0.0009915100000000, -0.0003804200000000 ] - [ -0.0005010900000000, -0.0008552000000000, 0.0002597900000000 ] - [ -0.0003682800000000, -0.0010148300000000, 0.0001672500000000 ] - [ -0.0000301600000000, 0.0021100100000000, -0.0001820300000000 ] - [ 0.0004970800000000, -0.0015490500000000, -0.0000285500000000 ] - [ -0.0010531500000000, 0.0001661300000000, 0.0013439500000000 ] - [ -0.0005711500000000, -0.0016301800000000, -0.0002259500000000 ] - [ -0.0021696800000000, 0.0044231600000000, 0.0007663000000000 ] - [ 0.0004108500000000, -0.0016286700000000, 0.0001331700000000 ] - [ 0.0004692400000000, 0.0018085300000000, 0.0024977300000000 ] - [ -0.0001030800000000, -0.0010428500000000, 0.0000647500000000 ] - [ 0.0002986000000000, -0.0000294000000000, -0.0007586500000000 ] - [ 0.0000799300000000, -0.0006562900000000, 0.0003797500000000 ]- atom: 73 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0006380000000000, 0.0012692900000000, 0.0007904000000000 ] - [ -0.0001304900000000, 0.0001466300000000, 0.0006973800000000 ] - [ -0.0093859300000000, -0.0000503100000000, 0.0098392000000000 ] - [ 0.0000016300000000, 0.0002181300000000, 0.0000887100000000 ] - [ 0.0008734300000000, -0.0005520700000000, -0.0011216600000000 ] - [ 0.0002654700000000, 0.0004415300000000, -0.0005167000000000 ] - [ 0.0047641600000000, 0.0008698400000000, -0.0030656200000000 ] - [ 0.0000371800000000, 0.0001954500000000, -0.0000646200000000 ] - [ 0.0043946600000000, 0.0029767700000000, -0.0018192400000000 ] - [ -0.0000635300000000, 0.0002053500000000, -0.0000544400000000 ] - [ 0.0028563300000000, -0.0021630900000000, -0.0066860500000000 ] - [ 0.0000524500000000, 0.0005043100000000, -0.0000489600000000 ] - [ -0.0034610200000000, -0.0035985500000000, 0.0004325800000000 ] - [ -0.0003002200000000, 0.0008522500000000, 0.0000314400000000 ] - [ -0.0012589900000000, -0.0013910100000000, 0.0026614300000000 ] - [ -0.0001063900000000, 0.0009722700000000, 0.0001218500000000 ] - [ -0.0469330700000000, -0.0642761400000000, 0.1009502300000000 ] - [ -0.0000338700000000, 0.0001959800000000, 0.0000328700000000 ] - [ 0.0007980500000000, -0.0002593500000000, -0.0002840100000000 ] - [ 0.0000473700000000, 0.0004321000000000, 0.0000855900000000 ] - [ 0.0017167100000000, -0.0003863300000000, 0.0003195800000000 ] - [ 0.0000083600000000, 0.0002406200000000, -0.0000192500000000 ] - [ 0.0011346400000000, -0.0000093800000000, -0.0013175800000000 ] - [ 0.0002663700000000, 0.0002765300000000, -0.0001061600000000 ] - [ 0.0039437800000000, -0.0006225500000000, -0.0098721400000000 ] - [ 0.0000961900000000, 0.0002161400000000, 0.0000019600000000 ] - [ -0.0000827600000000, 0.0000203600000000, -0.0000155500000000 ] - [ -0.0002222400000000, -0.0000815900000000, -0.0000800000000000 ] - [ 0.0016830300000000, -0.0009026600000000, 0.0005966200000000 ] - [ 0.0001261000000000, 0.0002591500000000, 0.0003119300000000 ] - [ -0.0107111900000000, -0.0200741600000000, 0.0430219500000000 ] - [ 0.0000098800000000, 0.0004656500000000, 0.0005395200000000 ] - [ -0.0053608200000000, -0.0000303100000000, 0.0008327300000000 ] - [ -0.0003071000000000, 0.0005659800000000, 0.0000217400000000 ] - [ 0.0010202900000000, 0.0052152100000000, 0.0044962000000000 ] - [ -0.0002400400000000, 0.0000638400000000, 0.0002886400000000 ] - [ -0.0012918100000000, 0.0039291600000000, -0.0025301500000000 ] - [ -0.0000164100000000, 0.0002825100000000, 0.0001681600000000 ] - [ 0.0063992900000000, -0.0004967900000000, -0.0010822600000000 ] - [ 0.0002855000000000, 0.0005801500000000, 0.0000077900000000 ] - [ -0.0042229200000000, -0.0108512000000000, -0.0075186300000000 ] - [ -0.0000670000000000, 0.0005435600000000, -0.0005225800000000 ] - [ -0.0007894300000000, -0.0002109700000000, -0.0015212900000000 ] - [ 0.0000128700000000, 0.0003448500000000, -0.0005025700000000 ] - [ 0.0013705100000000, 0.0019249100000000, -0.0006567000000000 ] - [ 0.0005552200000000, -0.0002656700000000, -0.0005978400000000 ] - [ -0.0006403300000000, 0.0002466200000000, 0.0001207800000000 ] - [ -0.0001668200000000, -0.0000517300000000, -0.0000754300000000 ] - [ -0.0027263200000000, -0.0003269900000000, -0.0013380500000000 ] - [ 0.0000769700000000, -0.0001358000000000, -0.0001067700000000 ] - [ -0.0076239600000000, -0.0000471600000000, 0.0048360300000000 ] - [ -0.0000726500000000, -0.0001632200000000, -0.0000909700000000 ] - [ -0.0009596100000000, -0.0009699000000000, 0.0004656700000000 ] - [ -0.0000405600000000, 0.0000162500000000, -0.0000374400000000 ] - [ -0.0001487300000000, -0.0007780700000000, -0.0001318500000000 ] - [ -0.0001711500000000, 0.0014054700000000, -0.0000494800000000 ] - [ -0.0017484600000000, 0.0093335700000000, 0.0054365700000000 ] - [ -0.0001629900000000, -0.0003989400000000, -0.0000130800000000 ] - [ -0.0003119300000000, -0.0001655100000000, -0.0000431400000000 ] - [ -0.0003131700000000, -0.0000181800000000, -0.0000745700000000 ] - [ -0.0011627100000000, 0.0009573400000000, -0.0005885600000000 ] - [ -0.0000160200000000, -0.0001054900000000, 0.0000522400000000 ] - [ 0.0080353500000000, -0.0144631600000000, 0.0192185500000000 ] - [ 0.0000849300000000, -0.0001585700000000, -0.0002069200000000 ] - [ 0.0001938900000000, -0.0001857300000000, -0.0005658900000000 ] - [ 0.0012527300000000, -0.0002035900000000, -0.0025202800000000 ] - [ 0.0002239300000000, -0.0001351400000000, -0.0003734300000000 ] - [ 0.0000802400000000, -0.0004717700000000, 0.0000601700000000 ] - [ -0.0003123300000000, 0.0005458300000000, -0.0016989100000000 ] - [ 0.0000636000000000, -0.0002024500000000, -0.0000742200000000 ] - [ 0.0046750200000000, -0.0040325500000000, -0.0074695400000000 ] - [ 0.0000120400000000, -0.0004769500000000, -0.0003335200000000 ] - [ 0.0729118600000000, 0.0993875500000000, -0.1764704100000000 ] - [ 0.0000313800000000, -0.0001813500000000, -0.0000450900000000 ] - [ -0.0000100700000000, -0.0004128700000000, -0.0006526500000000 ] - [ 0.0000927000000000, -0.0015676300000000, -0.0003193100000000 ] - [ 0.0056363900000000, -0.0093875400000000, 0.0021205600000000 ] - [ 0.0000159500000000, -0.0002782600000000, -0.0000142800000000 ] - [ -0.0115391800000000, 0.0093704000000000, -0.0067799700000000 ] - [ -0.0003144800000000, -0.0001911900000000, -0.0001051500000000 ] - [ 0.0000364800000000, -0.0001263200000000, -0.0000676100000000 ] - [ 0.0017006800000000, -0.0005643700000000, 0.0007809100000000 ] - [ -0.0000726000000000, -0.0000336600000000, 0.0000220400000000 ] - [ -0.0018124400000000, -0.0005378100000000, -0.0008887800000000 ] - [ 0.0048510400000000, 0.0024199200000000, 0.0012626900000000 ] - [ 0.0003583700000000, -0.0001966800000000, 0.0000818100000000 ] - [ 0.0001229500000000, 0.0003317800000000, -0.0004420800000000 ] - [ 0.0000623000000000, -0.0017346100000000, -0.0001165700000000 ] - [ -0.0046657000000000, -0.0077808800000000, 0.0002922400000000 ] - [ 0.0000283500000000, -0.0001867800000000, -0.0000556900000000 ] - [ -0.0000854400000000, 0.0030713400000000, -0.0004022800000000 ] - [ 0.0000542100000000, -0.0005593400000000, 0.0002600200000000 ] - [ -0.0056580100000000, 0.0028940700000000, 0.0179926700000000 ] - [ -0.0000198300000000, -0.0001927300000000, 0.0000253700000000 ] - [ -0.0012140500000000, 0.0008680200000000, 0.0007954900000000 ] - [ -0.0001022900000000, -0.0004998200000000, -0.0001027000000000 ] - [ -0.0020701000000000, 0.0001484800000000, 0.0000786400000000 ] - [ -0.0000678200000000, -0.0002029300000000, 0.0000737400000000 ] - [ 0.0000513600000000, -0.0000062100000000, 0.0003287500000000 ] - [ -0.0001788500000000, -0.0006638100000000, 0.0016637000000000 ] - [ -0.0006361800000000, 0.0010912200000000, 0.0047606800000000 ] - [ -0.0000852500000000, -0.0001866000000000, 0.0002345500000000 ] - [ -0.0003935200000000, 0.0002941000000000, 0.0003665000000000 ] - [ -0.0000345800000000, -0.0001374500000000, -0.0000051500000000 ] - [ -0.0000150400000000, -0.0000897400000000, 0.0002379100000000 ] - [ 0.0001196700000000, -0.0002041900000000, 0.0001033000000000 ] - [ -0.0005166400000000, -0.0005079100000000, 0.0005453800000000 ] - [ -0.0002391000000000, -0.0001166600000000, 0.0004104600000000 ] - [ -0.0015452300000000, 0.0000622400000000, 0.0031828000000000 ] - [ 0.0000955000000000, -0.0002599600000000, 0.0000382000000000 ] - [ -0.0019322000000000, -0.0013005700000000, 0.0017185600000000 ] - [ -0.0002019400000000, -0.0000750700000000, 0.0002260200000000 ] - [ -0.0021880800000000, 0.0011017600000000, 0.0037958900000000 ] - [ 0.0000383500000000, -0.0001605800000000, 0.0001105000000000 ] - [ 0.0016993100000000, 0.0000903900000000, 0.0030579000000000 ] - [ -0.0000838000000000, -0.0001402900000000, 0.0001059500000000 ] - [ 0.0010899800000000, 0.0005324800000000, 0.0008692400000000 ] - [ 0.0001923800000000, -0.0001805100000000, 0.0001927700000000 ]- atom: 73 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0006910900000000, -0.0012254300000000, -0.0006731700000000 ] - [ 0.0001052600000000, -0.0000971200000000, -0.0005837600000000 ] - [ 0.0089653000000000, 0.0002745800000000, -0.0098867000000000 ] - [ -0.0000267400000000, -0.0002791600000000, -0.0000545000000000 ] - [ -0.0008462900000000, 0.0006018300000000, 0.0009910900000000 ] - [ -0.0002323800000000, -0.0003981800000000, 0.0003903300000000 ] - [ -0.0047846100000000, -0.0009332500000000, 0.0030531100000000 ] - [ -0.0000197600000000, -0.0002531200000000, 0.0000464500000000 ] - [ -0.0047507100000000, -0.0029156600000000, 0.0017636000000000 ] - [ -0.0003008900000000, -0.0001723800000000, -0.0000213600000000 ] - [ -0.0028627200000000, 0.0024834500000000, 0.0066785800000000 ] - [ -0.0000530500000000, -0.0001809100000000, 0.0000495700000000 ] - [ 0.0032806200000000, 0.0036166900000000, -0.0004476500000000 ] - [ 0.0001227200000000, -0.0008466200000000, -0.0000429000000000 ] - [ 0.0012796500000000, 0.0010994500000000, -0.0027303900000000 ] - [ 0.0001075000000000, -0.0012498700000000, -0.0001222200000000 ] - [ 0.0487990400000000, 0.0684855200000000, -0.1057094100000000 ] - [ 0.0000341800000000, -0.0005152500000000, -0.0000338000000000 ] - [ -0.0007938600000000, 0.0004543700000000, 0.0002832200000000 ] - [ -0.0000470800000000, -0.0002399700000000, -0.0000857200000000 ] - [ -0.0017191100000000, 0.0001683000000000, -0.0003184800000000 ] - [ -0.0000083800000000, -0.0004784700000000, 0.0000189800000000 ] - [ -0.0009551100000000, 0.0000135000000000, 0.0013387900000000 ] - [ -0.0000865900000000, -0.0002643900000000, 0.0001208100000000 ] - [ -0.0035954100000000, 0.0006763300000000, 0.0099775700000000 ] - [ 0.0002689400000000, -0.0001831300000000, 0.0000739800000000 ] - [ 0.0000828800000000, -0.0000713100000000, 0.0000169200000000 ] - [ 0.0002227000000000, 0.0000313600000000, 0.0000817100000000 ] - [ -0.0016344500000000, 0.0009136100000000, -0.0001818500000000 ] - [ -0.0000729100000000, -0.0002524500000000, 0.0001039000000000 ] - [ 0.0104829600000000, 0.0207308200000000, -0.0429585900000000 ] - [ 0.0000334700000000, -0.0004821700000000, 0.0001731300000000 ] - [ 0.0049229800000000, 0.0002942900000000, -0.0006920700000000 ] - [ -0.0001496700000000, -0.0003168800000000, 0.0001353800000000 ] - [ -0.0012123800000000, -0.0051975200000000, -0.0047041200000000 ] - [ 0.0000563300000000, -0.0000358200000000, -0.0004781000000000 ] - [ 0.0014868700000000, -0.0038871600000000, 0.0027141100000000 ] - [ 0.0002036900000000, -0.0002559100000000, 0.0000140800000000 ] - [ -0.0058598200000000, 0.0007821000000000, 0.0008896000000000 ] - [ 0.0001714200000000, -0.0003306700000000, -0.0001659700000000 ] - [ 0.0042277700000000, 0.0109528400000000, 0.0068351400000000 ] - [ 0.0000240400000000, -0.0005595900000000, -0.0001913300000000 ] - [ 0.0007383700000000, 0.0002211100000000, 0.0011070700000000 ] - [ -0.0000658700000000, -0.0003370400000000, 0.0000869900000000 ] - [ -0.0013811500000000, -0.0018551500000000, 0.0006628900000000 ] - [ -0.0005554000000000, 0.0003200500000000, 0.0005976100000000 ] - [ 0.0003664000000000, -0.0001728900000000, -0.0001629200000000 ] - [ -0.0001053000000000, 0.0001251000000000, 0.0000336500000000 ] - [ 0.0029810700000000, 0.0003098100000000, 0.0012404800000000 ] - [ 0.0002008400000000, 0.0001273000000000, 0.0000229800000000 ] - [ 0.0075757600000000, 0.0001278100000000, -0.0049609400000000 ] - [ 0.0000995300000000, 0.0002503200000000, -0.0000644400000000 ] - [ 0.0012247900000000, 0.0008982000000000, -0.0005134200000000 ] - [ 0.0002965100000000, -0.0000734300000000, -0.0000033900000000 ] - [ -0.0000560300000000, 0.0007977900000000, 0.0001058300000000 ] - [ -0.0000395400000000, -0.0013827200000000, 0.0000330700000000 ] - [ 0.0015868900000000, -0.0092934800000000, -0.0054039600000000 ] - [ 0.0000140200000000, 0.0003591700000000, 0.0000143200000000 ] - [ 0.0002358500000000, -0.0000030900000000, 0.0002355100000000 ] - [ 0.0002368500000000, -0.0001494500000000, 0.0002677000000000 ] - [ 0.0011159100000000, -0.0007655000000000, 0.0008240200000000 ] - [ -0.0000304000000000, 0.0003039400000000, 0.0001864500000000 ] - [ -0.0077728300000000, 0.0142381600000000, -0.0193234100000000 ] - [ 0.0000261800000000, 0.0000667400000000, -0.0000135800000000 ] - [ -0.0002256100000000, 0.0002216300000000, -0.0000597200000000 ] - [ -0.0012862800000000, 0.0002330800000000, 0.0019000000000000 ] - [ -0.0001798300000000, -0.0002420200000000, 0.0004408900000000 ] - [ -0.0000365900000000, 0.0001054300000000, -0.0000014600000000 ] - [ 0.0003606400000000, -0.0004288400000000, 0.0016940900000000 ] - [ -0.0000258500000000, 0.0003329300000000, 0.0000645000000000 ] - [ -0.0046936400000000, 0.0041140600000000, 0.0075058800000000 ] - [ -0.0000341100000000, 0.0004115900000000, 0.0003758700000000 ] - [ -0.0743425900000000, -0.1049055400000000, 0.1818764100000000 ] - [ -0.0000843300000000, 0.0003768500000000, -0.0000983900000000 ] - [ 0.0000980300000000, 0.0004580500000000, 0.0006219600000000 ] - [ -0.0000115400000000, 0.0016015400000000, 0.0002721000000000 ] - [ -0.0057578800000000, 0.0093654200000000, -0.0021800700000000 ] - [ -0.0000949700000000, 0.0002222100000000, -0.0000736400000000 ] - [ 0.0108500400000000, -0.0094069600000000, 0.0067560300000000 ] - [ -0.0002982900000000, 0.0001662400000000, -0.0000215200000000 ] - [ 0.0000090900000000, 0.0000987400000000, -0.0001284500000000 ] - [ -0.0016618800000000, 0.0005358000000000, -0.0009800200000000 ] - [ 0.0000274900000000, 0.0000061600000000, 0.0001750300000000 ] - [ 0.0017772000000000, 0.0005112300000000, 0.0010912200000000 ] - [ -0.0042739400000000, -0.0024714900000000, -0.0011337000000000 ] - [ 0.0002540000000000, 0.0001724200000000, 0.0000445600000000 ] - [ -0.0002089400000000, -0.0002991700000000, 0.0004961800000000 ] - [ -0.0001449000000000, 0.0017714700000000, 0.0001657900000000 ] - [ 0.0047861400000000, 0.0077859000000000, -0.0001972000000000 ] - [ 0.0000523300000000, 0.0001297000000000, 0.0001429500000000 ] - [ 0.0001094500000000, -0.0031732000000000, 0.0003822000000000 ] - [ -0.0000299900000000, 0.0004945000000000, -0.0003050000000000 ] - [ 0.0058254400000000, -0.0027204600000000, -0.0181728600000000 ] - [ 0.0000713200000000, 0.0003882600000000, 0.0001192500000000 ] - [ 0.0011543400000000, -0.0012338600000000, -0.0008445400000000 ] - [ 0.0000579900000000, 0.0001333400000000, 0.0000437800000000 ] - [ 0.0020304600000000, -0.0000414300000000, -0.0000531200000000 ] - [ 0.0000322200000000, 0.0003331400000000, -0.0000642800000000 ] - [ -0.0000223000000000, 0.0000382600000000, 0.0002993000000000 ] - [ 0.0002073400000000, 0.0006966900000000, -0.0010366500000000 ] - [ 0.0005184800000000, -0.0012088100000000, -0.0045645300000000 ] - [ -0.0000247100000000, 0.0000945100000000, -0.0000138400000000 ] - [ 0.0004453400000000, -0.0001013900000000, -0.0006042500000000 ] - [ 0.0000824200000000, 0.0003362200000000, -0.0002352300000000 ] - [ 0.0000921200000000, -0.0000790100000000, -0.0004283500000000 ] - [ -0.0000419000000000, 0.0000350700000000, -0.0002961600000000 ] - [ 0.0007290900000000, 0.0005222400000000, -0.0005309200000000 ] - [ 0.0004497500000000, 0.0001379500000000, -0.0003958500000000 ] - [ 0.0017016800000000, -0.0000980700000000, -0.0031929300000000 ] - [ 0.0000557200000000, 0.0002183200000000, -0.0000401500000000 ] - [ 0.0016797300000000, 0.0012347500000000, -0.0016830900000000 ] - [ -0.0000531300000000, 0.0000173400000000, -0.0001840800000000 ] - [ 0.0021819600000000, -0.0010289000000000, -0.0036507600000000 ] - [ -0.0000646200000000, 0.0002479000000000, 0.0000439400000000 ] - [ -0.0019813600000000, -0.0001043300000000, -0.0029756800000000 ] - [ -0.0001932900000000, 0.0001314900000000, -0.0000225900000000 ] - [ -0.0008153500000000, -0.0004605800000000, -0.0008290700000000 ] - [ 0.0000801700000000, 0.0002542400000000, -0.0001542900000000 ]- atom: 75 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0135100400000000, -0.0009825900000000, -0.0044961400000000 ] - [ 0.0000359200000000, -0.0002293100000000, 0.0000925600000000 ] - [ 0.0006287500000000, -0.0001802800000000, 0.0002367000000000 ] - [ 0.0004271600000000, -0.0012989900000000, 0.0006601300000000 ] - [ -0.0047733700000000, -0.0010720800000000, 0.0033062100000000 ] - [ -0.0000325400000000, -0.0002151000000000, -0.0000523000000000 ] - [ -0.0004385100000000, -0.0004324200000000, 0.0000540300000000 ] - [ -0.0013676700000000, 0.0002655800000000, 0.0004414500000000 ] - [ -0.0007357500000000, 0.0007566100000000, 0.0011334800000000 ] - [ -0.0002318600000000, -0.0002897800000000, 0.0000858200000000 ] - [ 0.0000664200000000, -0.0000633300000000, 0.0000544500000000 ] - [ -0.0004844500000000, 0.0002995900000000, 0.0003325700000000 ] - [ -0.0000921100000000, -0.0003670500000000, -0.0000821300000000 ] - [ 0.0019029500000000, 0.0005512400000000, -0.0030059300000000 ] - [ 0.0991165600000000, 0.0626473600000000, -0.0015070800000000 ] - [ 0.0000486700000000, -0.0004974900000000, 0.0000022700000000 ] - [ 0.0001784200000000, -0.0012525800000000, 0.0001250900000000 ] - [ 0.0025422600000000, 0.0007972300000000, 0.0003318600000000 ] - [ -0.0077684800000000, 0.0028269900000000, -0.0005434200000000 ] - [ -0.0000744900000000, -0.0003095400000000, 0.0000254700000000 ] - [ -0.0006715700000000, 0.0000642800000000, 0.0001160700000000 ] - [ -0.0012641000000000, -0.0022790900000000, 0.0010981200000000 ] - [ 0.0001162600000000, -0.0003589200000000, 0.0000660400000000 ] - [ -0.0010847600000000, 0.0010373400000000, 0.0024018100000000 ] - [ -0.0003304500000000, 0.0002583100000000, -0.0013764600000000 ] - [ 0.0000897600000000, -0.0003705000000000, -0.0001259600000000 ] - [ 0.0003615300000000, -0.0000367400000000, -0.0007800600000000 ] - [ -0.0000040800000000, -0.0000556100000000, -0.0000107400000000 ] - [ -0.0000960600000000, -0.0002391400000000, 0.0002791800000000 ] - [ -0.0057837300000000, -0.0035357200000000, 0.0027875700000000 ] - [ -0.0021752800000000, -0.0039781700000000, -0.0019499800000000 ] - [ 0.0001172300000000, -0.0002192300000000, 0.0002740300000000 ] - [ 0.0026461700000000, 0.0052535100000000, -0.0035805000000000 ] - [ -0.0000499600000000, -0.0008097900000000, -0.0001524500000000 ] - [ -0.0002212200000000, -0.0005487700000000, -0.0001795800000000 ] - [ -0.0060573700000000, 0.0119807500000000, -0.0074956000000000 ] - [ 0.0002471000000000, -0.0004414700000000, 0.0001393600000000 ] - [ 0.0414921000000000, 0.0272117800000000, 0.0149325900000000 ] - [ -0.0022070700000000, -0.0000876200000000, 0.0000106100000000 ] - [ 0.0000093400000000, -0.0002315300000000, 0.0000289500000000 ] - [ 0.0039479900000000, -0.0045142900000000, 0.0019580200000000 ] - [ 0.0002667200000000, -0.0001384500000000, -0.0003796800000000 ] - [ 0.0000095400000000, -0.0002449800000000, -0.0003002700000000 ] - [ -0.0126221200000000, 0.0018274900000000, -0.0059264800000000 ] - [ -0.0007124400000000, 0.0002467300000000, 0.0020429100000000 ] - [ -0.0000127500000000, -0.0003760500000000, -0.0000072300000000 ] - [ -0.0001072200000000, 0.0001257600000000, -0.0000939000000000 ] - [ 0.0011888400000000, 0.0004097200000000, -0.0020161800000000 ] - [ 0.0009867600000000, -0.0003396900000000, -0.0001444100000000 ] - [ 0.0001914400000000, 0.0001556200000000, -0.0000985000000000 ] - [ -0.0000605500000000, -0.0000176900000000, -0.0002818700000000 ] - [ 0.0000463300000000, 0.0002374900000000, -0.0003308300000000 ] - [ 0.0000553800000000, -0.0007562000000000, -0.0014406800000000 ] - [ 0.0000602900000000, 0.0002044600000000, -0.0000641800000000 ] - [ -0.0010612200000000, -0.0006045900000000, -0.0013151000000000 ] - [ -0.0001931700000000, 0.0002682200000000, 0.0000208100000000 ] - [ -0.0001092900000000, 0.0002423100000000, 0.0000723000000000 ] - [ -0.0005178400000000, 0.0000219100000000, -0.0002174600000000 ] - [ 0.0074209900000000, 0.0011723400000000, -0.0032847500000000 ] - [ 0.0000209400000000, 0.0001453500000000, 0.0000125300000000 ] - [ 0.0000216500000000, 0.0001053800000000, 0.0000255500000000 ] - [ 0.0014341400000000, 0.0009432400000000, -0.0008285800000000 ] - [ 0.0001529000000000, 0.0005347600000000, 0.0017811800000000 ] - [ 0.0000249900000000, 0.0000753000000000, -0.0000399700000000 ] - [ 0.0004019200000000, -0.0023333400000000, 0.0041374700000000 ] - [ -0.0000048400000000, 0.0001941800000000, -0.0002556800000000 ] - [ 0.0050457600000000, -0.0101225600000000, 0.0016446800000000 ] - [ 0.0000545000000000, 0.0002290500000000, -0.0000688400000000 ] - [ -0.0001741200000000, -0.0014750500000000, -0.0000334000000000 ] - [ -0.0002314000000000, 0.0009326400000000, 0.0000049100000000 ] - [ -0.0006530600000000, 0.0107633000000000, 0.0065131600000000 ] - [ -0.0000034700000000, 0.0001904200000000, 0.0000805700000000 ] - [ -0.0002771600000000, 0.0018637300000000, -0.0002782200000000 ] - [ -0.0004967400000000, 0.0003703100000000, -0.0002841200000000 ] - [ -0.1845741900000000, -0.1133570300000000, -0.0189733500000000 ] - [ 0.0000408400000000, 0.0002960700000000, 0.0000377200000000 ] - [ -0.0003749700000000, 0.0004093300000000, -0.0001942800000000 ] - [ -0.0083965700000000, 0.0032746600000000, 0.0006839900000000 ] - [ 0.0013390000000000, 0.0007388800000000, -0.0000083800000000 ] - [ -0.0002474100000000, 0.0000375400000000, -0.0000743800000000 ] - [ 0.0229090400000000, 0.0161297000000000, 0.0190418800000000 ] - [ -0.0000670600000000, 0.0000884400000000, -0.0001008200000000 ] - [ 0.0059026100000000, -0.0010770100000000, 0.0020784100000000 ] - [ 0.0001158300000000, 0.0001196800000000, 0.0001247000000000 ] - [ -0.0029056200000000, -0.0000559200000000, 0.0006937700000000 ] - [ 0.0000028500000000, 0.0001798700000000, 0.0001587900000000 ] - [ 0.0231634200000000, -0.0025646300000000, 0.0013537900000000 ] - [ -0.0000643500000000, 0.0003148900000000, -0.0000432100000000 ] - [ 0.0002483900000000, 0.0005035200000000, 0.0001696600000000 ] - [ -0.0002485000000000, -0.0033286500000000, -0.0002837600000000 ] - [ 0.0016378400000000, 0.0068059500000000, -0.0042807400000000 ] - [ -0.0000636600000000, 0.0001504900000000, -0.0000791500000000 ] - [ -0.0002532100000000, 0.0016118800000000, 0.0001053100000000 ] - [ -0.0003871700000000, -0.0000898900000000, -0.0000384000000000 ] - [ 0.0031190000000000, -0.0001485700000000, 0.0001234700000000 ] - [ -0.0000000800000000, 0.0000680600000000, 0.0000148900000000 ] - [ 0.0005870800000000, 0.0003456600000000, -0.0001118300000000 ] - [ 0.0005809500000000, 0.0005136400000000, -0.0002543900000000 ] - [ -0.0062148600000000, -0.0052298300000000, -0.0071568800000000 ] - [ -0.0000189200000000, 0.0001748900000000, 0.0002858800000000 ] - [ -0.0002979400000000, 0.0004712500000000, -0.0014027300000000 ] - [ -0.0000669100000000, 0.0000117200000000, 0.0000636900000000 ] - [ 0.0001864900000000, 0.0001965600000000, -0.0001173100000000 ] - [ 0.0039804600000000, 0.0018998700000000, -0.0004499300000000 ] - [ 0.0045433400000000, -0.0017201200000000, -0.0000021200000000 ] - [ 0.0000162100000000, 0.0001440300000000, -0.0000270900000000 ] - [ 0.0007476200000000, -0.0001089300000000, -0.0016819600000000 ] - [ 0.0001959300000000, 0.0002670800000000, -0.0000214300000000 ] - [ 0.0000706000000000, 0.0002415400000000, -0.0000998100000000 ] - [ 0.0006701200000000, -0.0006534600000000, -0.0003977100000000 ] - [ 0.0004299300000000, -0.0003583500000000, -0.0004204700000000 ] - [ -0.0000245000000000, 0.0002262300000000, 0.0000655300000000 ] - [ 0.0001638500000000, 0.0001206800000000, 0.0001888700000000 ] - [ 0.0002448900000000, 0.0002414300000000, 0.0002117400000000 ] - [ 0.0004571200000000, -0.0009498600000000, 0.0016692800000000 ] - [ -0.0000746600000000, 0.0002804800000000, 0.0001544900000000 ] - [ 0.0001243800000000, 0.0001308500000000, 0.0000996000000000 ] - [ 0.0011173400000000, -0.0002571400000000, 0.0046127600000000 ]- atom: 75 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0136324800000000, 0.0013183500000000, 0.0049881900000000 ] - [ -0.0000595600000000, 0.0002781200000000, 0.0000198000000000 ] - [ -0.0006535300000000, 0.0001203200000000, -0.0002029400000000 ] - [ -0.0004731500000000, 0.0012370500000000, -0.0006077100000000 ] - [ 0.0047880500000000, 0.0011008400000000, -0.0033964800000000 ] - [ 0.0000652200000000, 0.0002555800000000, -0.0000714900000000 ] - [ 0.0004544500000000, 0.0003744200000000, -0.0000736900000000 ] - [ 0.0013908000000000, -0.0003124500000000, -0.0004505800000000 ] - [ 0.0003680500000000, -0.0007182500000000, -0.0012107200000000 ] - [ -0.0001326400000000, 0.0003258700000000, -0.0001632400000000 ] - [ -0.0000664600000000, 0.0003856200000000, -0.0000543600000000 ] - [ 0.0004861700000000, 0.0000259700000000, -0.0003339000000000 ] - [ -0.0000835800000000, 0.0003763600000000, 0.0000646400000000 ] - [ -0.0020618000000000, -0.0005300600000000, 0.0029900500000000 ] - [ -0.0949978600000000, -0.0587760200000000, 0.0014807200000000 ] - [ -0.0000480200000000, 0.0002219500000000, -0.0000017300000000 ] - [ -0.0001768100000000, 0.0009331800000000, -0.0001259500000000 ] - [ -0.0024721800000000, -0.0011319700000000, -0.0003209500000000 ] - [ 0.0077751600000000, -0.0026383900000000, 0.0005526500000000 ] - [ 0.0000741400000000, 0.0005025400000000, -0.0000254200000000 ] - [ 0.0006719900000000, -0.0003044400000000, -0.0001159600000000 ] - [ 0.0012553100000000, 0.0020599600000000, -0.0010976900000000 ] - [ 0.0000609000000000, 0.0003678100000000, -0.0000478900000000 ] - [ 0.0013241100000000, -0.0010035600000000, -0.0024254300000000 ] - [ 0.0006967300000000, -0.0002206000000000, 0.0014549700000000 ] - [ 0.0002745000000000, 0.0004076300000000, 0.0002027800000000 ] - [ -0.0003733700000000, -0.0000144400000000, 0.0007649500000000 ] - [ 0.0000038400000000, 0.0000046000000000, 0.0000119000000000 ] - [ 0.0001486000000000, 0.0002440700000000, 0.0001334800000000 ] - [ 0.0058280600000000, 0.0035789400000000, -0.0024040700000000 ] - [ 0.0022278400000000, 0.0039779900000000, 0.0026631600000000 ] - [ -0.0000676900000000, 0.0001989900000000, 0.0004433500000000 ] - [ -0.0031143100000000, -0.0050018300000000, 0.0037477600000000 ] - [ -0.0004113700000000, 0.0010567500000000, 0.0003076100000000 ] - [ 0.0000319000000000, 0.0005809800000000, -0.0000067700000000 ] - [ 0.0058587300000000, -0.0118292500000000, 0.0072448500000000 ] - [ -0.0000560300000000, 0.0004738600000000, 0.0000467200000000 ] - [ -0.0407330900000000, -0.0266174200000000, -0.0142706300000000 ] - [ 0.0026654100000000, 0.0003286200000000, -0.0001741400000000 ] - [ 0.0004499200000000, 0.0004882700000000, -0.0001881900000000 ] - [ -0.0039758100000000, 0.0044903600000000, -0.0026661800000000 ] - [ -0.0003088900000000, 0.0001189700000000, -0.0003385200000000 ] - [ -0.0000616300000000, 0.0002499800000000, -0.0001133700000000 ] - [ 0.0125559800000000, -0.0018068100000000, 0.0055104700000000 ] - [ 0.0007059900000000, -0.0001702000000000, -0.0020390500000000 ] - [ 0.0000133200000000, 0.0004334700000000, 0.0000071100000000 ] - [ -0.0001632300000000, -0.0000513300000000, 0.0000515000000000 ] - [ -0.0014674700000000, -0.0003429200000000, 0.0020113900000000 ] - [ -0.0007071100000000, 0.0003315000000000, 0.0000605300000000 ] - [ 0.0000873200000000, -0.0001667100000000, 0.0000132800000000 ] - [ 0.0000874000000000, 0.0001045400000000, 0.0001282500000000 ] - [ -0.0000185700000000, -0.0001526600000000, 0.0001763200000000 ] - [ 0.0002055000000000, 0.0006893300000000, 0.0014003900000000 ] - [ 0.0001966000000000, -0.0002646500000000, 0.0000229100000000 ] - [ 0.0008531900000000, 0.0006104600000000, 0.0012832800000000 ] - [ -0.0000178400000000, -0.0002494700000000, -0.0000367000000000 ] - [ -0.0000393900000000, -0.0002823800000000, -0.0000708300000000 ] - [ 0.0003634800000000, -0.0000689800000000, 0.0002132800000000 ] - [ -0.0075626400000000, -0.0013561000000000, 0.0035193600000000 ] - [ -0.0000980300000000, -0.0003131600000000, 0.0001806300000000 ] - [ -0.0000692200000000, 0.0000955300000000, 0.0002144200000000 ] - [ -0.0014704200000000, -0.0007600500000000, 0.0010657700000000 ] - [ -0.0000444800000000, -0.0006300000000000, -0.0020030000000000 ] - [ 0.0000838900000000, -0.0001681700000000, -0.0001856900000000 ] - [ -0.0004353800000000, 0.0023427200000000, -0.0047277100000000 ] - [ -0.0000244700000000, -0.0001618100000000, -0.0003718200000000 ] - [ -0.0050364500000000, 0.0098446600000000, -0.0015901800000000 ] - [ -0.0000097400000000, -0.0005960700000000, 0.0001271800000000 ] - [ 0.0002125500000000, 0.0016106300000000, 0.0000218800000000 ] - [ 0.0002809100000000, -0.0008015800000000, -0.0000152900000000 ] - [ 0.0005726600000000, -0.0108049300000000, -0.0064575500000000 ] - [ -0.0000183200000000, -0.0002563900000000, -0.0000396900000000 ] - [ 0.0002239200000000, -0.0016674900000000, 0.0001355800000000 ] - [ 0.0004342600000000, -0.0001628800000000, 0.0001291400000000 ] - [ 0.1799402000000000, 0.1082466200000000, 0.0182446400000000 ] - [ 0.0000414100000000, -0.0002662200000000, -0.0000856600000000 ] - [ 0.0002955500000000, -0.0004661700000000, 0.0001048500000000 ] - [ 0.0083164800000000, -0.0031905700000000, -0.0007640700000000 ] - [ -0.0019580200000000, -0.0007636500000000, -0.0001171900000000 ] - [ -0.0003701300000000, -0.0000640600000000, -0.0000529400000000 ] - [ -0.0230337500000000, -0.0163992300000000, -0.0194734100000000 ] - [ 0.0001106000000000, -0.0001159400000000, -0.0000974500000000 ] - [ -0.0059234200000000, 0.0010230800000000, -0.0018595300000000 ] - [ -0.0001586300000000, -0.0001471000000000, 0.0000742400000000 ] - [ 0.0035163000000000, 0.0000263600000000, -0.0005654200000000 ] - [ 0.0006116900000000, -0.0002029400000000, -0.0000302400000000 ] - [ -0.0227975600000000, 0.0025831700000000, -0.0013031700000000 ] - [ -0.0000175900000000, -0.0002856900000000, 0.0000917500000000 ] - [ -0.0001675400000000, -0.0005599600000000, -0.0000809400000000 ] - [ 0.0003081100000000, 0.0032331800000000, 0.0003633300000000 ] - [ -0.0016124300000000, -0.0068260500000000, 0.0042030800000000 ] - [ 0.0000871000000000, -0.0002167100000000, 0.0000357300000000 ] - [ 0.0003042100000000, -0.0014123600000000, 0.0000391700000000 ] - [ 0.0004291400000000, 0.0002874500000000, 0.0001837000000000 ] - [ -0.0031559200000000, -0.0002101200000000, -0.0001816300000000 ] - [ -0.0000441500000000, -0.0004380200000000, -0.0000734900000000 ] - [ -0.0006229900000000, -0.0002117700000000, 0.0001209600000000 ] - [ -0.0006163200000000, -0.0003915800000000, 0.0002658400000000 ] - [ 0.0061463400000000, 0.0053205000000000, 0.0078772700000000 ] - [ 0.0000492500000000, -0.0001431000000000, 0.0003421900000000 ] - [ 0.0001884800000000, -0.0005640200000000, 0.0016210800000000 ] - [ -0.0000412800000000, -0.0001044800000000, 0.0001622100000000 ] - [ -0.0001368800000000, 0.0000049000000000, -0.0001236100000000 ] - [ -0.0039380600000000, -0.0017132900000000, 0.0002136300000000 ] - [ -0.0044505100000000, 0.0015388300000000, -0.0001990400000000 ] - [ 0.0000618700000000, -0.0003128800000000, -0.0001649700000000 ] - [ -0.0005478800000000, 0.0001111500000000, 0.0016908200000000 ] - [ 0.0000145800000000, -0.0002488200000000, 0.0000368400000000 ] - [ 0.0000799600000000, -0.0002814800000000, 0.0000980400000000 ] - [ -0.0005331600000000, 0.0006124400000000, 0.0003989100000000 ] - [ -0.0006869500000000, 0.0002895600000000, 0.0004558300000000 ] - [ -0.0002309300000000, -0.0002870600000000, -0.0000232000000000 ] - [ -0.0001890500000000, -0.0000339400000000, -0.0000358300000000 ] - [ -0.0002725700000000, -0.0001558900000000, -0.0000591400000000 ] - [ -0.0007346800000000, 0.0009401300000000, -0.0015880500000000 ] - [ -0.0002006600000000, -0.0002906600000000, -0.0000671200000000 ] - [ 0.0001474200000000, -0.0000569800000000, -0.0000578800000000 ] - [ -0.0008414400000000, 0.0003300200000000, -0.0045848200000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007915400000000, 0.0164965100000000, 0.0042095200000000 ] - [ -0.0001337800000000, -0.0017830000000000, 0.0001737600000000 ] - [ 0.0006968100000000, -0.0020886900000000, -0.0003923700000000 ] - [ -0.0031419400000000, -0.0031316400000000, 0.0050691200000000 ] - [ -0.0025779400000000, 0.0042203100000000, 0.0006148800000000 ] - [ 0.0001648000000000, -0.0016918700000000, -0.0000857200000000 ] - [ -0.0004596000000000, -0.0016204100000000, 0.0001410800000000 ] - [ 0.0005301400000000, -0.0003093300000000, -0.0003029100000000 ] - [ -0.0004540200000000, 0.0002522200000000, 0.0003191500000000 ] - [ -0.0000421500000000, -0.0017939600000000, -0.0002007000000000 ] - [ 0.0001116400000000, -0.0017132700000000, -0.0001536000000000 ] - [ -0.0001501200000000, -0.0003931700000000, 0.0001665400000000 ] - [ -0.0000504100000000, -0.0023050100000000, -0.0001022700000000 ] - [ -0.0012146300000000, 0.0050300300000000, 0.0003243400000000 ] - [ 0.0589839200000000, 0.0691101200000000, 0.0027612300000000 ] - [ 0.0000838200000000, -0.0031375600000000, 0.0000067000000000 ] - [ -0.0004657700000000, -0.0038309400000000, 0.0005893600000000 ] - [ 0.0110116000000000, -0.0068646700000000, 0.0013696100000000 ] - [ 0.0030742900000000, 0.0087020500000000, 0.0006140400000000 ] - [ -0.0001831800000000, -0.0027154700000000, 0.0000415900000000 ] - [ 0.0005718100000000, -0.0026808100000000, -0.0001096900000000 ] - [ -0.0020337400000000, -0.0009958700000000, 0.0007433100000000 ] - [ 0.0000153800000000, -0.0021965300000000, 0.0000791000000000 ] - [ 0.0065602600000000, 0.0039638800000000, -0.0038040000000000 ] - [ 0.0020045400000000, 0.0008071000000000, -0.0013646800000000 ] - [ -0.0002944800000000, -0.0016941900000000, 0.0000928600000000 ] - [ -0.0006820000000000, 0.0002958300000000, -0.0019216100000000 ] - [ -0.0000088600000000, -0.0002507500000000, 0.0000013000000000 ] - [ -0.0000036800000000, -0.0026112600000000, 0.0001900000000000 ] - [ -0.0004593700000000, 0.0047945700000000, -0.0007135900000000 ] - [ -0.0054420800000000, -0.0101492200000000, -0.0040600500000000 ] - [ 0.0009261900000000, -0.0038890700000000, 0.0012209000000000 ] - [ 0.0025439900000000, -0.0044818300000000, 0.0023359500000000 ] - [ -0.0009424000000000, -0.0036744800000000, -0.0004034000000000 ] - [ -0.0002113200000000, -0.0029397300000000, -0.0001508100000000 ] - [ 0.0018779100000000, 0.0078030100000000, -0.0010659900000000 ] - [ 0.0001731900000000, -0.0031262900000000, 0.0002417800000000 ] - [ 0.0263732700000000, 0.1619074200000000, 0.0881586100000000 ] - [ -0.0024458700000000, 0.0005164500000000, 0.0009689000000000 ] - [ 0.0006201800000000, -0.0020267100000000, -0.0001929400000000 ] - [ -0.0003441500000000, -0.0050269700000000, 0.0037936700000000 ] - [ 0.0002841400000000, -0.0036208400000000, -0.0013118400000000 ] - [ 0.0000634800000000, -0.0026171200000000, -0.0002079500000000 ] - [ -0.0102381300000000, 0.0048752700000000, -0.0031246300000000 ] - [ 0.0004983800000000, 0.0049678000000000, -0.0018256900000000 ] - [ 0.0000132000000000, -0.0026935200000000, -0.0000049300000000 ] - [ -0.0001321500000000, 0.0007751700000000, -0.0000075700000000 ] - [ -0.0012186100000000, -0.0011773500000000, 0.0024473700000000 ] - [ 0.0004843700000000, -0.0002327900000000, 0.0001305600000000 ] - [ 0.0000990600000000, 0.0008132900000000, -0.0000713400000000 ] - [ 0.0000199600000000, 0.0009747300000000, 0.0001794500000000 ] - [ 0.0004227300000000, 0.0009078500000000, -0.0004955600000000 ] - [ -0.0002245500000000, -0.0018592200000000, 0.0017973900000000 ] - [ -0.0003471100000000, 0.0015257800000000, -0.0001840000000000 ] - [ 0.0008855600000000, -0.0046143100000000, 0.0017854000000000 ] - [ -0.0006578800000000, 0.0017327900000000, 0.0000982200000000 ] - [ 0.0002051500000000, 0.0016385800000000, 0.0002220400000000 ] - [ -0.0002164600000000, -0.0009945400000000, -0.0017229300000000 ] - [ -0.0009787800000000, -0.0053759200000000, 0.0012149300000000 ] - [ 0.0003045800000000, 0.0017209800000000, -0.0003986100000000 ] - [ -0.0004306600000000, 0.0018467800000000, 0.0006536600000000 ] - [ 0.0017634800000000, -0.0012609400000000, -0.0009256200000000 ] - [ 0.0002126900000000, 0.0015610400000000, 0.0040893500000000 ] - [ 0.0000602800000000, 0.0009966800000000, -0.0007386500000000 ] - [ -0.0007861100000000, -0.0023978200000000, -0.0003572000000000 ] - [ -0.0000025600000000, 0.0009954700000000, -0.0002850400000000 ] - [ -0.0101182200000000, 0.0042707800000000, -0.0010260600000000 ] - [ 0.0004281800000000, 0.0019649900000000, -0.0005351900000000 ] - [ -0.0008532100000000, 0.0024347900000000, 0.0004721900000000 ] - [ 0.0016399300000000, 0.0025876500000000, 0.0004119700000000 ] - [ 0.0136096900000000, 0.0262905900000000, 0.0189200800000000 ] - [ 0.0002425300000000, 0.0021788100000000, 0.0004372800000000 ] - [ -0.0001301000000000, 0.0045654800000000, -0.0006297200000000 ] - [ -0.0018613500000000, 0.0043606400000000, -0.0029253500000000 ] - [ -0.1108560500000000, -0.3049957200000000, -0.1414690500000000 ] - [ 0.0003195000000000, 0.0020833100000000, 0.0004901800000000 ] - [ -0.0004907000000000, 0.0023428700000000, -0.0007311500000000 ] - [ -0.0035199000000000, 0.0330889800000000, 0.0028958300000000 ] - [ 0.0042073400000000, 0.0014751800000000, -0.0005433600000000 ] - [ -0.0010308300000000, 0.0010149000000000, -0.0000304600000000 ] - [ 0.0194293300000000, 0.0024763100000000, 0.0119166500000000 ] - [ -0.0000889800000000, 0.0010052100000000, -0.0001320500000000 ] - [ 0.0003817900000000, -0.0020287800000000, 0.0007614300000000 ] - [ 0.0000548700000000, 0.0009498700000000, 0.0001128800000000 ] - [ -0.0003153600000000, 0.0023598700000000, -0.0012758500000000 ] - [ 0.0003466400000000, 0.0014766200000000, 0.0003135700000000 ] - [ 0.0024522600000000, -0.0091559600000000, 0.0007720600000000 ] - [ -0.0003384200000000, 0.0019880300000000, -0.0004876500000000 ] - [ 0.0005946500000000, 0.0020919900000000, 0.0004919300000000 ] - [ -0.0032446200000000, -0.0024319300000000, -0.0007769500000000 ] - [ 0.0065288900000000, 0.0038426900000000, -0.0047361800000000 ] - [ -0.0004409000000000, 0.0020490800000000, -0.0004612000000000 ] - [ 0.0007137600000000, 0.0024951300000000, 0.0000957700000000 ] - [ -0.0013694700000000, 0.0026264000000000, 0.0012839600000000 ] - [ 0.0001547100000000, -0.0025917600000000, -0.0005892500000000 ] - [ -0.0002733700000000, 0.0014994500000000, 0.0004235700000000 ] - [ 0.0004899000000000, 0.0010753100000000, -0.0004174600000000 ] - [ 0.0002338900000000, 0.0011031600000000, -0.0003963100000000 ] - [ -0.0051716900000000, 0.0007919500000000, 0.0166555800000000 ] - [ 0.0000513300000000, 0.0009958800000000, 0.0002352600000000 ] - [ 0.0002256300000000, 0.0003437500000000, -0.0019103900000000 ] - [ -0.0002033000000000, 0.0009132100000000, 0.0006444800000000 ] - [ 0.0002401900000000, 0.0017732400000000, -0.0005755300000000 ] - [ 0.0023662300000000, 0.0001425000000000, -0.0000178600000000 ] - [ 0.0026225700000000, -0.0049179600000000, -0.0014359600000000 ] - [ -0.0002639300000000, 0.0016946300000000, 0.0003730000000000 ] - [ -0.0020368500000000, -0.0040805200000000, 0.0005061400000000 ] - [ 0.0006498700000000, 0.0017011600000000, -0.0001019700000000 ] - [ -0.0002761400000000, 0.0015302900000000, -0.0000792900000000 ] - [ -0.0009659200000000, -0.0004905900000000, 0.0006095000000000 ] - [ -0.0006180000000000, -0.0022956400000000, 0.0000169700000000 ] - [ 0.0003949000000000, 0.0015212900000000, 0.0001748300000000 ] - [ -0.0004932800000000, 0.0009239700000000, 0.0002191800000000 ] - [ -0.0002307600000000, 0.0008845900000000, 0.0001583100000000 ] - [ -0.0014951800000000, 0.0002446200000000, -0.0011614500000000 ] - [ 0.0002858000000000, 0.0010497700000000, 0.0003963600000000 ] - [ 0.0001326600000000, 0.0007896600000000, 0.0000292000000000 ] - [ 0.0024316200000000, -0.0012744100000000, 0.0024677600000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011021200000000, -0.0162161800000000, -0.0036346000000000 ] - [ 0.0001118000000000, 0.0018385300000000, -0.0000619200000000 ] - [ -0.0007203400000000, 0.0020326600000000, 0.0004227100000000 ] - [ 0.0031443000000000, 0.0030832500000000, -0.0050766700000000 ] - [ 0.0026213800000000, -0.0041482300000000, -0.0007620700000000 ] - [ -0.0001349900000000, 0.0017415000000000, -0.0000400900000000 ] - [ 0.0004763800000000, 0.0015687000000000, -0.0001584400000000 ] - [ -0.0005198400000000, 0.0002424000000000, 0.0002823900000000 ] - [ 0.0000858900000000, -0.0002009600000000, -0.0003928800000000 ] - [ -0.0003250600000000, 0.0018323100000000, 0.0001268900000000 ] - [ -0.0001107800000000, 0.0020435500000000, 0.0001530100000000 ] - [ 0.0001506900000000, 0.0007075900000000, -0.0001691500000000 ] - [ -0.0001254700000000, 0.0023208300000000, 0.0000849400000000 ] - [ 0.0010343900000000, -0.0050493700000000, -0.0003196100000000 ] - [ -0.0558835900000000, -0.0678276800000000, -0.0027629900000000 ] - [ -0.0000852400000000, 0.0028748900000000, -0.0000063100000000 ] - [ 0.0004633100000000, 0.0035179200000000, -0.0005857800000000 ] - [ -0.0111037900000000, 0.0065779000000000, -0.0013800700000000 ] - [ -0.0030854200000000, -0.0084826000000000, -0.0006281500000000 ] - [ 0.0001850800000000, 0.0029183800000000, -0.0000420700000000 ] - [ -0.0005708500000000, 0.0024527600000000, 0.0001091300000000 ] - [ 0.0020492300000000, 0.0007479800000000, -0.0007452900000000 ] - [ 0.0001606900000000, 0.0022127000000000, -0.0000614300000000 ] - [ -0.0063702500000000, -0.0039597000000000, 0.0038151100000000 ] - [ -0.0016316300000000, -0.0007569900000000, 0.0014340300000000 ] - [ 0.0006651700000000, 0.0017311200000000, -0.0000182800000000 ] - [ 0.0006833600000000, -0.0003447300000000, 0.0019294900000000 ] - [ 0.0000078000000000, 0.0001999100000000, -0.0000002100000000 ] - [ 0.0000546600000000, 0.0026255400000000, 0.0002242900000000 ] - [ 0.0005220300000000, -0.0048260200000000, 0.0011305000000000 ] - [ 0.0054825800000000, 0.0101398400000000, 0.0047808000000000 ] - [ -0.0008902400000000, 0.0038933000000000, -0.0005126800000000 ] - [ -0.0029840700000000, 0.0047471000000000, -0.0021878000000000 ] - [ 0.0004923500000000, 0.0039417400000000, 0.0005612800000000 ] - [ 0.0000206800000000, 0.0029814300000000, -0.0000345800000000 ] - [ -0.0020567500000000, -0.0078718100000000, 0.0008994600000000 ] - [ 0.0000176200000000, 0.0031681500000000, -0.0000556500000000 ] - [ -0.0282115700000000, -0.1691453200000000, -0.0945545100000000 ] - [ 0.0028938700000000, -0.0002440500000000, -0.0011169000000000 ] - [ -0.0001665400000000, 0.0022805200000000, 0.0000397700000000 ] - [ 0.0002809800000000, 0.0050251600000000, -0.0045025000000000 ] - [ -0.0003320500000000, 0.0036232000000000, 0.0006044300000000 ] - [ -0.0001141600000000, 0.0026312700000000, -0.0002071800000000 ] - [ 0.0101923400000000, -0.0048757800000000, 0.0027125600000000 ] - [ -0.0005092700000000, -0.0048784400000000, 0.0018374000000000 ] - [ -0.0000131000000000, 0.0027602900000000, 0.0000045200000000 ] - [ -0.0001454900000000, -0.0007036300000000, -0.0000293100000000 ] - [ 0.0009449400000000, 0.0012557500000000, -0.0024949900000000 ] - [ -0.0002047900000000, 0.0002161500000000, -0.0002182800000000 ] - [ 0.0001788800000000, -0.0008238800000000, -0.0000147000000000 ] - [ 0.0000021600000000, -0.0008963200000000, -0.0003337800000000 ] - [ -0.0003985100000000, -0.0008204800000000, 0.0003440500000000 ] - [ 0.0004852500000000, 0.0017828300000000, -0.0018429800000000 ] - [ 0.0006051200000000, -0.0015910000000000, 0.0001432700000000 ] - [ -0.0010922900000000, 0.0046181200000000, -0.0018486400000000 ] - [ 0.0004480700000000, -0.0017206200000000, -0.0001153700000000 ] - [ -0.0003565100000000, -0.0016846400000000, -0.0002192000000000 ] - [ 0.0000720900000000, 0.0009676200000000, 0.0017328400000000 ] - [ 0.0009430900000000, 0.0052175700000000, -0.0010328600000000 ] - [ -0.0003825000000000, -0.0018947800000000, 0.0005939400000000 ] - [ 0.0003832900000000, -0.0016530500000000, -0.0004159500000000 ] - [ -0.0018266800000000, 0.0014760700000000, 0.0011738700000000 ] - [ -0.0001025700000000, -0.0016498300000000, -0.0042898400000000 ] - [ 0.0000490200000000, -0.0010937400000000, 0.0005225900000000 ] - [ 0.0007495900000000, 0.0024541600000000, -0.0002818900000000 ] - [ -0.0000260800000000, -0.0009665300000000, -0.0003457800000000 ] - [ 0.0100784900000000, -0.0046278600000000, 0.0010947400000000 ] - [ -0.0003863100000000, -0.0023428200000000, 0.0005975500000000 ] - [ 0.0008897500000000, -0.0023123800000000, -0.0004824100000000 ] - [ -0.0016182000000000, -0.0024677500000000, -0.0004232800000000 ] - [ -0.0134445800000000, -0.0260674100000000, -0.0185888800000000 ] - [ -0.0002665100000000, -0.0022572600000000, -0.0003967100000000 ] - [ 0.0000767900000000, -0.0043639200000000, 0.0004862100000000 ] - [ 0.0018235100000000, -0.0041948600000000, 0.0028090500000000 ] - [ 0.1102741800000000, 0.3108153900000000, 0.1476039300000000 ] - [ -0.0002398700000000, -0.0020607400000000, -0.0005386800000000 ] - [ 0.0004106800000000, -0.0024060400000000, 0.0006431100000000 ] - [ 0.0034436500000000, -0.0338545100000000, -0.0030428900000000 ] - [ -0.0048000900000000, -0.0015017100000000, 0.0004096500000000 ] - [ 0.0004244100000000, -0.0010448600000000, -0.0000979500000000 ] - [ -0.0195077600000000, -0.0024738500000000, -0.0122234200000000 ] - [ 0.0001315300000000, -0.0010365900000000, -0.0000660000000000 ] - [ -0.0004400100000000, 0.0020216000000000, -0.0005707800000000 ] - [ -0.0000979900000000, -0.0009812200000000, 0.0000857000000000 ] - [ 0.0009261200000000, -0.0023775700000000, 0.0013972400000000 ] - [ 0.0002657200000000, -0.0015105200000000, -0.0001884900000000 ] - [ -0.0026950800000000, 0.0091951700000000, -0.0007296200000000 ] - [ 0.0002586500000000, -0.0019657200000000, 0.0005365400000000 ] - [ -0.0005139500000000, -0.0021557400000000, -0.0004064000000000 ] - [ 0.0033544200000000, 0.0024044700000000, 0.0008736500000000 ] - [ -0.0064591600000000, -0.0039301700000000, 0.0046812300000000 ] - [ 0.0004688200000000, -0.0021259700000000, 0.0004185700000000 ] - [ -0.0006591000000000, -0.0023096300000000, 0.0000448200000000 ] - [ 0.0014384600000000, -0.0024446300000000, -0.0011498600000000 ] - [ -0.0002046800000000, 0.0022016400000000, 0.0005255600000000 ] - [ 0.0002286200000000, -0.0018737500000000, -0.0004848000000000 ] - [ -0.0005270700000000, -0.0009531300000000, 0.0004269600000000 ] - [ -0.0002715400000000, -0.0009711000000000, 0.0004060300000000 ] - [ 0.0051972300000000, -0.0006896500000000, -0.0161269700000000 ] - [ -0.0000222500000000, -0.0009677400000000, 0.0003960100000000 ] - [ -0.0003321300000000, -0.0004426700000000, 0.0021295600000000 ] - [ 0.0000958500000000, -0.0010090100000000, -0.0004263400000000 ] - [ -0.0001922400000000, -0.0015791300000000, 0.0003371000000000 ] - [ -0.0023211000000000, 0.0000622900000000, -0.0002242500000000 ] - [ -0.0025593900000000, 0.0047542000000000, 0.0012490900000000 ] - [ 0.0003410400000000, -0.0018691600000000, -0.0005668300000000 ] - [ 0.0022499100000000, 0.0040942500000000, -0.0004876900000000 ] - [ -0.0004416200000000, -0.0016897400000000, 0.0001190000000000 ] - [ 0.0004275900000000, -0.0015768100000000, 0.0000771300000000 ] - [ 0.0011117600000000, 0.0004587900000000, -0.0006107900000000 ] - [ 0.0003573700000000, 0.0022198900000000, 0.0000222000000000 ] - [ -0.0006529900000000, -0.0015868100000000, -0.0001326900000000 ] - [ 0.0004680600000000, -0.0008445100000000, -0.0000631400000000 ] - [ 0.0002043700000000, -0.0007956800000000, -0.0000034400000000 ] - [ 0.0012152900000000, -0.0002600700000000, 0.0012486100000000 ] - [ -0.0005669300000000, -0.0010623600000000, -0.0003133900000000 ] - [ 0.0001446100000000, -0.0007185100000000, 0.0000084900000000 ] - [ -0.0021618900000000, 0.0013515600000000, -0.0024439200000000 ]- atom: 75 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0091562600000000, 0.0060682700000000, 0.0150570000000000 ] - [ -0.0000222900000000, -0.0002437800000000, 0.0000696300000000 ] - [ 0.0001222800000000, -0.0006186900000000, -0.0000375100000000 ] - [ -0.0001228200000000, 0.0012662900000000, 0.0006338300000000 ] - [ 0.0031862700000000, 0.0011143700000000, -0.0015074200000000 ] - [ 0.0000692400000000, -0.0002634300000000, -0.0000600600000000 ] - [ 0.0003746400000000, -0.0000223000000000, -0.0000162400000000 ] - [ 0.0006459400000000, -0.0007302900000000, 0.0002224400000000 ] - [ 0.0010066500000000, -0.0010374200000000, -0.0014868300000000 ] - [ -0.0000074800000000, -0.0002740300000000, -0.0002749700000000 ] - [ 0.0001446200000000, -0.0002428800000000, -0.0003052700000000 ] - [ 0.0013180800000000, 0.0000177700000000, -0.0016490100000000 ] - [ -0.0001086200000000, -0.0004265500000000, -0.0000338500000000 ] - [ -0.0038242000000000, 0.0038982400000000, -0.0036395300000000 ] - [ -0.0509390400000000, -0.0279395900000000, 0.0192902400000000 ] - [ -0.0000229700000000, -0.0006102000000000, 0.0000784200000000 ] - [ -0.0003876800000000, -0.0004328900000000, 0.0011716800000000 ] - [ -0.0004476500000000, -0.0013925100000000, 0.0009875600000000 ] - [ 0.0045562300000000, 0.0001483300000000, 0.0028294500000000 ] - [ -0.0000012800000000, -0.0003568900000000, 0.0000074400000000 ] - [ 0.0003315400000000, -0.0007126300000000, -0.0000246000000000 ] - [ 0.0001736500000000, 0.0001058400000000, 0.0007725500000000 ] - [ 0.0000647900000000, -0.0002702300000000, -0.0000337900000000 ] - [ 0.0095009600000000, 0.0011830800000000, -0.0077276500000000 ] - [ 0.0006613900000000, -0.0001637300000000, -0.0006177100000000 ] - [ 0.0001561800000000, -0.0003018200000000, -0.0000398600000000 ] - [ -0.0019703100000000, 0.0000208500000000, -0.0027802300000000 ] - [ -0.0000170200000000, -0.0000610600000000, -0.0000091800000000 ] - [ 0.0000807700000000, -0.0004859900000000, 0.0001496600000000 ] - [ 0.0044570600000000, 0.0050115900000000, -0.0041060500000000 ] - [ -0.0022858100000000, -0.0034712100000000, -0.0009540000000000 ] - [ -0.0000822600000000, -0.0003019500000000, 0.0004070600000000 ] - [ -0.0027129000000000, -0.0026690000000000, 0.0032883900000000 ] - [ -0.0003947400000000, -0.0002667800000000, 0.0002544000000000 ] - [ -0.0000892300000000, -0.0003800300000000, -0.0000174400000000 ] - [ 0.0000184000000000, -0.0040863200000000, 0.0061281900000000 ] - [ 0.0000304600000000, -0.0004337400000000, 0.0001550300000000 ] - [ -0.0071275300000000, 0.0658378500000000, 0.0820989000000000 ] - [ 0.0001439300000000, 0.0004151000000000, 0.0007533000000000 ] - [ 0.0002847500000000, -0.0002532400000000, -0.0001091100000000 ] - [ -0.0027802200000000, 0.0048982700000000, -0.0020498200000000 ] - [ -0.0000888400000000, -0.0008724100000000, -0.0003056400000000 ] - [ -0.0000229700000000, -0.0004534200000000, -0.0001940400000000 ] - [ -0.0012235200000000, 0.0010733500000000, -0.0007323600000000 ] - [ 0.0040639900000000, -0.0006830200000000, -0.0061537700000000 ] - [ 0.0000382600000000, -0.0004197800000000, -0.0000536400000000 ] - [ -0.0001505400000000, 0.0001582100000000, 0.0000407000000000 ] - [ -0.0020458800000000, -0.0007892200000000, 0.0051980300000000 ] - [ -0.0001688300000000, 0.0002018500000000, 0.0000842400000000 ] - [ 0.0000974500000000, 0.0001229900000000, 0.0000070000000000 ] - [ -0.0001629900000000, 0.0005107500000000, 0.0002892000000000 ] - [ -0.0002710900000000, -0.0000424800000000, 0.0002366200000000 ] - [ -0.0013216500000000, 0.0011047100000000, 0.0024439000000000 ] - [ 0.0000247400000000, 0.0002094000000000, -0.0000056800000000 ] - [ -0.0004599300000000, 0.0005622400000000, 0.0086647600000000 ] - [ -0.0002053400000000, 0.0003033800000000, 0.0000243800000000 ] - [ -0.0000268000000000, 0.0003456500000000, 0.0000983000000000 ] - [ -0.0003818400000000, -0.0018210300000000, 0.0012823700000000 ] - [ -0.0081542600000000, -0.0024218800000000, 0.0023726200000000 ] - [ 0.0000068100000000, 0.0002171700000000, 0.0000249500000000 ] - [ -0.0001452600000000, 0.0004776300000000, 0.0002399700000000 ] - [ -0.0009269500000000, -0.0010572400000000, 0.0002570000000000 ] - [ 0.0002621500000000, 0.0006110600000000, 0.0010837000000000 ] - [ 0.0000937800000000, 0.0000517500000000, -0.0000722200000000 ] - [ 0.0033041600000000, -0.0007812100000000, -0.0010636000000000 ] - [ 0.0000160100000000, 0.0001737100000000, -0.0003580700000000 ] - [ -0.0037261600000000, 0.0055064400000000, -0.0034793200000000 ] - [ 0.0000844000000000, 0.0001062000000000, -0.0000773200000000 ] - [ 0.0001134100000000, 0.0011054500000000, -0.0001794000000000 ] - [ 0.0001843500000000, 0.0001840800000000, -0.0001410700000000 ] - [ 0.0081582400000000, 0.0125234800000000, 0.0032097400000000 ] - [ 0.0000437100000000, 0.0002164900000000, 0.0000594400000000 ] - [ 0.0000724500000000, 0.0018653300000000, -0.0006185400000000 ] - [ 0.0000520100000000, 0.0003079800000000, -0.0003535800000000 ] - [ 0.0746424800000000, -0.0710765200000000, -0.1296659100000000 ] - [ 0.0000938000000000, 0.0003228900000000, 0.0000348000000000 ] - [ -0.0000050400000000, 0.0003442900000000, -0.0003350200000000 ] - [ 0.0046379600000000, -0.0025806900000000, -0.0066481200000000 ] - [ 0.0014681300000000, 0.0004376000000000, -0.0006516500000000 ] - [ -0.0002982900000000, 0.0001389500000000, -0.0000835700000000 ] - [ 0.0032130000000000, -0.0003858300000000, -0.0059379900000000 ] - [ 0.0000361200000000, 0.0001580500000000, -0.0001105000000000 ] - [ -0.0028616100000000, -0.0001848900000000, -0.0007708900000000 ] - [ -0.0000645800000000, 0.0001385800000000, 0.0000856000000000 ] - [ 0.0025916900000000, -0.0007147100000000, -0.0009453700000000 ] - [ 0.0004641300000000, 0.0002083700000000, -0.0000452700000000 ] - [ -0.0102124800000000, 0.0006270000000000, -0.0054797200000000 ] - [ -0.0000872600000000, 0.0003107300000000, -0.0000804300000000 ] - [ 0.0000682100000000, 0.0001284600000000, -0.0000938400000000 ] - [ -0.0001106100000000, 0.0008805700000000, -0.0010080100000000 ] - [ -0.0028427000000000, -0.0068839800000000, 0.0012704800000000 ] - [ -0.0000533100000000, 0.0003757000000000, -0.0001459300000000 ] - [ 0.0002152500000000, -0.0013308300000000, -0.0003854300000000 ] - [ 0.0001814700000000, 0.0006888600000000, -0.0000380900000000 ] - [ -0.0016756000000000, -0.0007403100000000, -0.0007070500000000 ] - [ -0.0000694100000000, 0.0000898500000000, 0.0000373800000000 ] - [ -0.0000757800000000, 0.0002443400000000, -0.0002327400000000 ] - [ -0.0001904000000000, 0.0002318400000000, -0.0001493000000000 ] - [ -0.0042831600000000, 0.0180107900000000, 0.0258658100000000 ] - [ 0.0000551900000000, 0.0001349600000000, 0.0002921100000000 ] - [ -0.0002303100000000, -0.0006416700000000, 0.0017347300000000 ] - [ -0.0001420500000000, 0.0002498400000000, 0.0002327800000000 ] - [ 0.0000110100000000, 0.0004218900000000, -0.0002191600000000 ] - [ 0.0002019400000000, 0.0001513300000000, -0.0001762100000000 ] - [ -0.0005216800000000, -0.0011341800000000, -0.0008408600000000 ] - [ -0.0000205800000000, 0.0002104800000000, -0.0000227500000000 ] - [ -0.0034543300000000, -0.0020512800000000, 0.0031168500000000 ] - [ 0.0001759300000000, 0.0002617700000000, 0.0000083900000000 ] - [ -0.0000780500000000, 0.0001591900000000, 0.0001360200000000 ] - [ -0.0026418800000000, 0.0012690400000000, 0.0012898300000000 ] - [ -0.0009608800000000, 0.0000998100000000, 0.0017117800000000 ] - [ -0.0000652300000000, 0.0002382900000000, 0.0000638500000000 ] - [ -0.0003603200000000, 0.0003020000000000, 0.0003204600000000 ] - [ -0.0003955700000000, 0.0004110000000000, 0.0003438100000000 ] - [ -0.0001805500000000, 0.0004103300000000, -0.0008506300000000 ] - [ -0.0000983700000000, 0.0001633100000000, 0.0000061200000000 ] - [ 0.0001611300000000, 0.0001709300000000, 0.0000123700000000 ] - [ 0.0018019600000000, -0.0004003800000000, 0.0003575500000000 ]- atom: 75 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0082849700000000, -0.0050093800000000, -0.0137354400000000 ] - [ -0.0000014900000000, 0.0002942600000000, 0.0000430800000000 ] - [ -0.0001494000000000, 0.0005590400000000, 0.0000715800000000 ] - [ 0.0000831900000000, -0.0013207100000000, -0.0005696700000000 ] - [ -0.0031608100000000, -0.0010588500000000, 0.0013657800000000 ] - [ -0.0000377200000000, 0.0003097700000000, -0.0000671500000000 ] - [ -0.0003578200000000, -0.0000359500000000, -0.0000040900000000 ] - [ -0.0006323600000000, 0.0006760400000000, -0.0002531500000000 ] - [ -0.0013669500000000, 0.0010655900000000, 0.0014139000000000 ] - [ -0.0003576700000000, 0.0003165300000000, 0.0002008500000000 ] - [ -0.0001456800000000, 0.0005648400000000, 0.0003049800000000 ] - [ -0.0013196300000000, 0.0003188500000000, 0.0016481600000000 ] - [ -0.0000666100000000, 0.0004361600000000, 0.0000185700000000 ] - [ 0.0036090900000000, -0.0038556600000000, 0.0036066200000000 ] - [ 0.0514331100000000, 0.0283667100000000, -0.0187222400000000 ] - [ 0.0000233100000000, 0.0003388000000000, -0.0000786300000000 ] - [ 0.0003892800000000, 0.0001160600000000, -0.0011748000000000 ] - [ 0.0004977000000000, 0.0010536400000000, -0.0009888600000000 ] - [ -0.0045494400000000, 0.0000421500000000, -0.0028022000000000 ] - [ 0.0000010400000000, 0.0005538700000000, -0.0000076600000000 ] - [ -0.0003318100000000, 0.0004754900000000, 0.0000245700000000 ] - [ -0.0001800500000000, -0.0003384100000000, -0.0007599000000000 ] - [ 0.0001114200000000, 0.0002791900000000, 0.0000488900000000 ] - [ -0.0093399000000000, -0.0011666400000000, 0.0077464600000000 ] - [ -0.0003013100000000, 0.0001971000000000, 0.0006936000000000 ] - [ 0.0002079500000000, 0.0003430900000000, 0.0001139700000000 ] - [ 0.0019864100000000, -0.0000735900000000, 0.0027917500000000 ] - [ 0.0000163100000000, 0.0000100600000000, 0.0000099400000000 ] - [ -0.0000291500000000, 0.0004929200000000, 0.0002683400000000 ] - [ -0.0043831700000000, -0.0049675200000000, 0.0045281700000000 ] - [ 0.0023457700000000, 0.0034894400000000, 0.0016846300000000 ] - [ 0.0001287200000000, 0.0002848400000000, 0.0003155500000000 ] - [ 0.0022499600000000, 0.0029309800000000, -0.0031390600000000 ] - [ -0.0000671200000000, 0.0005144100000000, -0.0001044700000000 ] - [ -0.0001016900000000, 0.0004149200000000, -0.0001677600000000 ] - [ -0.0001773000000000, 0.0041168700000000, -0.0062934700000000 ] - [ 0.0001616400000000, 0.0004688500000000, 0.0000290900000000 ] - [ 0.0063753200000000, -0.0673704000000000, -0.0820978600000000 ] - [ 0.0003206100000000, -0.0001601900000000, -0.0009055200000000 ] - [ 0.0001774500000000, 0.0005086000000000, -0.0000444200000000 ] - [ 0.0027484700000000, -0.0049175100000000, 0.0013269200000000 ] - [ 0.0000476300000000, 0.0008599300000000, -0.0004196800000000 ] - [ -0.0000286800000000, 0.0004604800000000, -0.0002251200000000 ] - [ 0.0011097800000000, -0.0010457300000000, 0.0002817100000000 ] - [ -0.0040522700000000, 0.0007263100000000, 0.0061295800000000 ] - [ -0.0000384600000000, 0.0004828700000000, 0.0000529600000000 ] - [ -0.0001256800000000, -0.0000836000000000, -0.0000778400000000 ] - [ 0.0017741200000000, 0.0008602900000000, -0.0052500000000000 ] - [ 0.0004459300000000, -0.0002110100000000, -0.0001893500000000 ] - [ 0.0001826300000000, -0.0001349300000000, -0.0001081100000000 ] - [ 0.0001885900000000, -0.0004213700000000, -0.0004468000000000 ] - [ 0.0002961000000000, 0.0001219400000000, -0.0003965100000000 ] - [ 0.0015739400000000, -0.0011558500000000, -0.0024813700000000 ] - [ 0.0002356800000000, -0.0002757600000000, -0.0000374100000000 ] - [ 0.0002574200000000, -0.0005378400000000, -0.0085951900000000 ] - [ -0.0000070000000000, -0.0002879000000000, -0.0000434200000000 ] - [ -0.0001227400000000, -0.0003850300000000, -0.0000976100000000 ] - [ 0.0002339200000000, 0.0017637600000000, -0.0012819700000000 ] - [ 0.0080021800000000, 0.0022460300000000, -0.0021753400000000 ] - [ -0.0000821700000000, -0.0003861400000000, 0.0001658000000000 ] - [ 0.0000990300000000, -0.0002779400000000, -0.0000036700000000 ] - [ 0.0008831300000000, 0.0012387400000000, -0.0000336400000000 ] - [ -0.0001607900000000, -0.0007074600000000, -0.0013197200000000 ] - [ 0.0000073400000000, -0.0001464200000000, -0.0001600100000000 ] - [ -0.0033279500000000, 0.0008100100000000, 0.0004261500000000 ] - [ -0.0000454100000000, -0.0001419100000000, -0.0002759800000000 ] - [ 0.0037778900000000, -0.0058724900000000, 0.0035182800000000 ] - [ -0.0000410300000000, -0.0004777400000000, 0.0001396600000000 ] - [ -0.0000760600000000, -0.0009767800000000, 0.0001705300000000 ] - [ -0.0001381700000000, -0.0000499600000000, 0.0001314800000000 ] - [ -0.0081642800000000, -0.0125892700000000, -0.0032090200000000 ] - [ -0.0000686700000000, -0.0002869800000000, -0.0000222600000000 ] - [ -0.0001272600000000, -0.0016753800000000, 0.0004737300000000 ] - [ -0.0001126600000000, -0.0001016700000000, 0.0001957900000000 ] - [ -0.0734272700000000, 0.0710231000000000, 0.1282622400000000 ] - [ -0.0000118100000000, -0.0002949100000000, -0.0000817600000000 ] - [ -0.0000736400000000, -0.0004023200000000, 0.0002471400000000 ] - [ -0.0047169400000000, 0.0026590600000000, 0.0065775000000000 ] - [ -0.0020885400000000, -0.0004674100000000, 0.0005147700000000 ] - [ -0.0003208700000000, -0.0001664200000000, -0.0000538700000000 ] - [ -0.0030691400000000, 0.0004095600000000, 0.0058108100000000 ] - [ 0.0000074800000000, -0.0001858700000000, -0.0000844000000000 ] - [ 0.0028007900000000, 0.0001480900000000, 0.0009551600000000 ] - [ 0.0000210700000000, -0.0001663100000000, 0.0001093800000000 ] - [ -0.0019788200000000, 0.0006844800000000, 0.0010857400000000 ] - [ 0.0001512800000000, -0.0002339800000000, 0.0001836400000000 ] - [ 0.0101540100000000, -0.0006082800000000, 0.0055915400000000 ] - [ 0.0000050300000000, -0.0002835200000000, 0.0001276200000000 ] - [ 0.0000115800000000, -0.0001855500000000, 0.0001812700000000 ] - [ 0.0001780100000000, -0.0009426200000000, 0.0010924800000000 ] - [ 0.0028937000000000, 0.0068508800000000, -0.0013036100000000 ] - [ 0.0000802500000000, -0.0004474600000000, 0.0001061200000000 ] - [ -0.0001631800000000, 0.0015288500000000, 0.0005333200000000 ] - [ -0.0001346100000000, -0.0004919300000000, 0.0001902400000000 ] - [ 0.0016299700000000, 0.0003637200000000, 0.0006410500000000 ] - [ 0.0000252200000000, -0.0004638800000000, -0.0001009600000000 ] - [ 0.0000391700000000, -0.0001143400000000, 0.0002391200000000 ] - [ 0.0001549200000000, -0.0001037900000000, 0.0001556500000000 ] - [ 0.0043218000000000, -0.0182841400000000, -0.0256283200000000 ] - [ -0.0000254900000000, -0.0001037100000000, 0.0003422500000000 ] - [ 0.0001276200000000, 0.0005500000000000, -0.0015034500000000 ] - [ 0.0000419600000000, -0.0003458500000000, -0.0000011500000000 ] - [ 0.0000369200000000, -0.0002216700000000, -0.0000188700000000 ] - [ -0.0001390200000000, 0.0000510800000000, -0.0000610900000000 ] - [ 0.0006086900000000, 0.0009514500000000, 0.0006482000000000 ] - [ 0.0000964900000000, -0.0003806400000000, -0.0001675300000000 ] - [ 0.0036631600000000, 0.0020639400000000, -0.0030886000000000 ] - [ 0.0000355900000000, -0.0002468300000000, 0.0000095000000000 ] - [ 0.0002294000000000, -0.0001981800000000, -0.0001379200000000 ] - [ 0.0028061800000000, -0.0013214300000000, -0.0012883900000000 ] - [ 0.0007056400000000, -0.0001562400000000, -0.0016578200000000 ] - [ -0.0001936900000000, -0.0003047400000000, -0.0000201400000000 ] - [ 0.0003367600000000, -0.0002142400000000, -0.0001649400000000 ] - [ 0.0003729500000000, -0.0003304400000000, -0.0001847300000000 ] - [ -0.0000981500000000, -0.0004211800000000, 0.0009505300000000 ] - [ -0.0001800700000000, -0.0001740200000000, 0.0000950200000000 ] - [ 0.0001150900000000, -0.0000968900000000, 0.0000246600000000 ] - [ -0.0015201900000000, 0.0004691000000000, -0.0003021000000000 ]- atom: 77 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0006258600000000, 0.0001725900000000, 0.0002838500000000 ] - [ 0.0004063700000000, 0.0012294500000000, 0.0007602800000000 ] - [ 0.0110438500000000, -0.0016985700000000, -0.0014138900000000 ] - [ 0.0000400800000000, 0.0002609800000000, 0.0000563500000000 ] - [ -0.0004655200000000, 0.0004486100000000, 0.0000042300000000 ] - [ -0.0013938800000000, -0.0002256800000000, 0.0003969100000000 ] - [ -0.0048670500000000, 0.0008275700000000, 0.0032985400000000 ] - [ -0.0000478500000000, 0.0002401700000000, -0.0000014800000000 ] - [ -0.0007974000000000, -0.0006810900000000, 0.0011156000000000 ] - [ -0.0002064700000000, 0.0003246700000000, 0.0000859500000000 ] - [ -0.0005898200000000, -0.0000783600000000, 0.0015676100000000 ] - [ -0.0000128600000000, 0.0005411400000000, -0.0000044300000000 ] - [ 0.0015273800000000, -0.0002490200000000, -0.0029184700000000 ] - [ -0.0000841300000000, 0.0003967100000000, -0.0000820600000000 ] - [ 0.0002063400000000, 0.0009678000000000, 0.0000602600000000 ] - [ 0.0025782000000000, -0.0010689800000000, 0.0001544100000000 ] - [ 0.1026053800000000, -0.0645989200000000, 0.0028113600000000 ] - [ 0.0000515600000000, 0.0002607500000000, -0.0000036400000000 ] - [ -0.0006701400000000, -0.0000716000000000, 0.0001150600000000 ] - [ -0.0013944900000000, 0.0023059800000000, 0.0012642900000000 ] - [ -0.0077118700000000, -0.0028032000000000, -0.0001512800000000 ] - [ -0.0000803200000000, 0.0003468900000000, 0.0000279900000000 ] - [ -0.0007813700000000, -0.0011257500000000, 0.0023466800000000 ] - [ 0.0001096300000000, 0.0003960100000000, 0.0000662100000000 ] - [ -0.0003601300000000, -0.0001032500000000, -0.0013241100000000 ] - [ 0.0000391200000000, 0.0004141300000000, -0.0001326300000000 ] - [ -0.0000030300000000, 0.0000097300000000, -0.0000115800000000 ] - [ 0.0003950900000000, 0.0000832900000000, -0.0007890500000000 ] - [ -0.0055428800000000, 0.0033023200000000, 0.0026144800000000 ] - [ -0.0001143500000000, 0.0002782900000000, 0.0002727500000000 ] - [ -0.0019981300000000, 0.0038993100000000, -0.0019927800000000 ] - [ 0.0001175800000000, 0.0002564300000000, 0.0002560900000000 ] - [ 0.0027952500000000, -0.0051521200000000, -0.0033217000000000 ] - [ -0.0000281600000000, 0.0011166900000000, -0.0001301300000000 ] - [ -0.0056137300000000, -0.0126445400000000, -0.0073939300000000 ] - [ -0.0002197000000000, 0.0006136100000000, -0.0001933800000000 ] - [ 0.0416297700000000, -0.0295218400000000, 0.0145318800000000 ] - [ 0.0002534900000000, 0.0005082500000000, 0.0001452500000000 ] - [ -0.0021111000000000, 0.0003518000000000, 0.0000511800000000 ] - [ -0.0000010100000000, 0.0005130700000000, 0.0000054800000000 ] - [ 0.0041427600000000, 0.0048480600000000, 0.0021789500000000 ] - [ 0.0003173800000000, 0.0001314100000000, -0.0003554400000000 ] - [ -0.0128806000000000, -0.0021582400000000, -0.0060787700000000 ] - [ 0.0000204400000000, 0.0002840400000000, -0.0002904700000000 ] - [ 0.0000652200000000, 0.0002705100000000, 0.0000786500000000 ] - [ -0.0005920500000000, -0.0002262000000000, 0.0003785300000000 ] - [ 0.0009752800000000, -0.0003204700000000, -0.0018084900000000 ] - [ -0.0001130800000000, -0.0000611000000000, -0.0000724100000000 ] - [ 0.0008958100000000, 0.0002114900000000, -0.0001188800000000 ] - [ 0.0002020300000000, -0.0001837300000000, -0.0001091000000000 ] - [ -0.0000559000000000, 0.0009605000000000, -0.0014730900000000 ] - [ -0.0000483800000000, -0.0002042300000000, -0.0001127600000000 ] - [ 0.0001080800000000, 0.0000122600000000, -0.0001872600000000 ] - [ 0.0001684300000000, -0.0001616100000000, -0.0002771400000000 ] - [ -0.0001135300000000, -0.0002512100000000, 0.0000456400000000 ] - [ -0.0002814700000000, 0.0000016900000000, -0.0001068600000000 ] - [ -0.0015790600000000, 0.0005443700000000, -0.0013082300000000 ] - [ -0.0001561200000000, -0.0002893500000000, 0.0000109700000000 ] - [ 0.0000072500000000, -0.0001017300000000, -0.0000025600000000 ] - [ 0.0013942900000000, -0.0008453500000000, -0.0008901400000000 ] - [ 0.0068073800000000, -0.0011382600000000, -0.0032432700000000 ] - [ 0.0000410700000000, -0.0001519200000000, 0.0000255500000000 ] - [ 0.0001379100000000, -0.0006216900000000, 0.0017174900000000 ] - [ 0.0000393400000000, -0.0001775300000000, -0.0000355600000000 ] - [ -0.0000014500000000, -0.0001802700000000, -0.0002539600000000 ] - [ -0.0001209200000000, 0.0021120800000000, 0.0036548700000000 ] - [ -0.0002045800000000, 0.0013399200000000, -0.0000544300000000 ] - [ -0.0002069200000000, -0.0010850400000000, 0.0000156300000000 ] - [ 0.0051615000000000, 0.0102499000000000, 0.0015693900000000 ] - [ 0.0000603500000000, -0.0003900600000000, -0.0001120000000000 ] - [ -0.0002897500000000, -0.0017234600000000, -0.0001397800000000 ] - [ -0.0005074700000000, -0.0003907300000000, -0.0002424200000000 ] - [ -0.0006485800000000, -0.0096665500000000, 0.0061583200000000 ] - [ -0.0000159100000000, -0.0001646100000000, 0.0000008500000000 ] - [ -0.0002952800000000, -0.0004404100000000, -0.0001739200000000 ] - [ -0.0083153100000000, -0.0035375200000000, 0.0005983000000000 ] - [ -0.1847550800000000, 0.1207306500000000, -0.0264201200000000 ] - [ -0.0000366500000000, -0.0003427700000000, 0.0000259000000000 ] - [ 0.0012700700000000, -0.0007576500000000, 0.0000034000000000 ] - [ -0.0002496000000000, -0.0000714700000000, -0.0000688200000000 ] - [ -0.0000749500000000, -0.0001232600000000, -0.0001025600000000 ] - [ 0.0227427500000000, -0.0169542400000000, 0.0180264400000000 ] - [ 0.0001246000000000, -0.0001590400000000, 0.0001286000000000 ] - [ 0.0057194700000000, 0.0012508900000000, 0.0020343300000000 ] - [ -0.0029789000000000, -0.0000072400000000, 0.0006797100000000 ] - [ -0.0000263300000000, -0.0002209300000000, 0.0001659500000000 ] - [ 0.0001674400000000, -0.0005438200000000, 0.0001730600000000 ] - [ -0.0003293700000000, 0.0033312400000000, -0.0003073000000000 ] - [ 0.0229730000000000, 0.0030443300000000, 0.0028155800000000 ] - [ 0.0000115000000000, -0.0003616500000000, -0.0000294100000000 ] - [ -0.0002718100000000, -0.0016732300000000, 0.0000281200000000 ] - [ -0.0003920300000000, 0.0001997500000000, -0.0001388000000000 ] - [ 0.0019116500000000, -0.0073837700000000, -0.0043138900000000 ] - [ -0.0000596700000000, -0.0001069200000000, 0.0000075900000000 ] - [ 0.0005802600000000, -0.0004800100000000, -0.0001641100000000 ] - [ 0.0005782300000000, -0.0006571500000000, -0.0003188900000000 ] - [ 0.0031388700000000, 0.0000438500000000, 0.0000865500000000 ] - [ -0.0000012300000000, -0.0002190800000000, 0.0000555400000000 ] - [ -0.0000289300000000, -0.0001631900000000, 0.0002874700000000 ] - [ -0.0062520800000000, 0.0051127900000000, -0.0060355100000000 ] - [ -0.0002907200000000, -0.0005930000000000, -0.0014884400000000 ] - [ -0.0000855600000000, -0.0001052300000000, 0.0000519400000000 ] - [ 0.0044740900000000, 0.0018037600000000, -0.0001003400000000 ] - [ -0.0000014000000000, -0.0001517200000000, -0.0000420800000000 ] - [ 0.0002076000000000, -0.0002033200000000, -0.0001020700000000 ] - [ 0.0041811300000000, -0.0019076200000000, -0.0004043300000000 ] - [ 0.0000855100000000, -0.0002519300000000, -0.0000877000000000 ] - [ 0.0006451900000000, 0.0006494000000000, -0.0003130100000000 ] - [ 0.0007616800000000, 0.0003788500000000, -0.0018745700000000 ] - [ 0.0001589500000000, -0.0002888800000000, -0.0000145000000000 ] - [ -0.0000184600000000, -0.0001272500000000, 0.0001037200000000 ] - [ 0.0001424900000000, -0.0001726000000000, 0.0001730100000000 ] - [ 0.0007747500000000, 0.0003193800000000, -0.0002723600000000 ] - [ 0.0000971300000000, -0.0002289600000000, 0.0001045900000000 ] - [ 0.0004132800000000, 0.0009443700000000, 0.0015897200000000 ] - [ -0.0000738400000000, -0.0003377500000000, 0.0001591300000000 ] - [ 0.0011900000000000, 0.0003107800000000, 0.0044063700000000 ] - [ 0.0001292500000000, -0.0000646800000000, 0.0000777800000000 ]- atom: 77 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0006526300000000, -0.0001113300000000, -0.0001680900000000 ] - [ -0.0004503000000000, -0.0011672000000000, -0.0006232500000000 ] - [ -0.0111465000000000, 0.0014333800000000, 0.0017410900000000 ] - [ -0.0000653900000000, -0.0003111800000000, -0.0000269000000000 ] - [ 0.0004992100000000, -0.0003923000000000, -0.0001325000000000 ] - [ 0.0014295900000000, 0.0002706300000000, -0.0005191600000000 ] - [ 0.0048650800000000, -0.0008672400000000, -0.0032758100000000 ] - [ 0.0000649500000000, -0.0002885100000000, -0.0000109800000000 ] - [ 0.0004314100000000, 0.0007162500000000, -0.0011929300000000 ] - [ -0.0001557800000000, -0.0002862500000000, -0.0001643700000000 ] - [ 0.0005831900000000, 0.0003935900000000, -0.0015638000000000 ] - [ 0.0000125800000000, -0.0002054900000000, 0.0000044600000000 ] - [ -0.0016824800000000, 0.0002587500000000, 0.0028981300000000 ] - [ -0.0000934800000000, -0.0003766600000000, 0.0000682700000000 ] - [ -0.0002052300000000, -0.0012321000000000, -0.0000610600000000 ] - [ -0.0025092600000000, 0.0008223500000000, -0.0001447900000000 ] - [ -0.0983313700000000, 0.0600430900000000, -0.0025475900000000 ] - [ -0.0000513800000000, -0.0005640700000000, 0.0000031600000000 ] - [ 0.0006694400000000, 0.0002769700000000, -0.0001157700000000 ] - [ 0.0013859900000000, -0.0021195100000000, -0.0012649500000000 ] - [ 0.0077184400000000, 0.0025780100000000, 0.0001591700000000 ] - [ 0.0000782900000000, -0.0005725800000000, -0.0000281900000000 ] - [ 0.0010166300000000, 0.0011137200000000, -0.0023683700000000 ] - [ 0.0000680600000000, -0.0003764600000000, -0.0000523600000000 ] - [ 0.0007232800000000, 0.0001382000000000, 0.0014023500000000 ] - [ 0.0003220400000000, -0.0003765200000000, 0.0002100500000000 ] - [ 0.0000015300000000, -0.0000599900000000, 0.0000112200000000 ] - [ -0.0004076200000000, -0.0001350100000000, 0.0007740500000000 ] - [ 0.0055854700000000, -0.0033236500000000, -0.0022323500000000 ] - [ 0.0001645100000000, -0.0002612400000000, 0.0001409200000000 ] - [ 0.0020465600000000, -0.0039154200000000, 0.0026998500000000 ] - [ -0.0000696000000000, -0.0002532300000000, 0.0004570000000000 ] - [ -0.0032617600000000, 0.0054099100000000, 0.0034917200000000 ] - [ -0.0004331700000000, -0.0008514800000000, 0.0002891500000000 ] - [ 0.0054140600000000, 0.0125630400000000, 0.0071508800000000 ] - [ 0.0000324800000000, -0.0005675900000000, 0.0000020500000000 ] - [ -0.0408613500000000, 0.0289603400000000, -0.0138919900000000 ] - [ -0.0000655000000000, -0.0004627300000000, 0.0000454700000000 ] - [ 0.0025667200000000, -0.0000832300000000, -0.0002184500000000 ] - [ 0.0004587800000000, -0.0002559100000000, -0.0001695500000000 ] - [ -0.0041692700000000, -0.0048425200000000, -0.0028813200000000 ] - [ -0.0003587700000000, -0.0001281100000000, -0.0003585000000000 ] - [ 0.0128140300000000, 0.0021580900000000, 0.0056655700000000 ] - [ -0.0000716500000000, -0.0002665300000000, -0.0001242800000000 ] - [ -0.0000654000000000, -0.0002035000000000, -0.0000787100000000 ] - [ 0.0005944600000000, 0.0002929700000000, -0.0003813000000000 ] - [ -0.0012563700000000, 0.0003983200000000, 0.0018113400000000 ] - [ -0.0001625400000000, 0.0001301300000000, 0.0000402200000000 ] - [ -0.0006177600000000, -0.0002255800000000, 0.0000334300000000 ] - [ 0.0000749000000000, 0.0001715600000000, 0.0000232200000000 ] - [ 0.0000839100000000, -0.0008732100000000, 0.0013198100000000 ] - [ 0.0000726900000000, 0.0002834200000000, -0.0000434900000000 ] - [ 0.0001460800000000, -0.0000728800000000, 0.0001444100000000 ] - [ 0.0000834600000000, 0.0001046800000000, 0.0002337200000000 ] - [ -0.0000942000000000, 0.0002649800000000, -0.0000611700000000 ] - [ 0.0000701400000000, 0.0000187200000000, 0.0000863200000000 ] - [ 0.0014318500000000, -0.0005790500000000, 0.0012858700000000 ] - [ 0.0000061300000000, 0.0002410600000000, -0.0000107600000000 ] - [ -0.0000888600000000, -0.0000762900000000, 0.0002000300000000 ] - [ -0.0014636700000000, 0.0006854700000000, 0.0010875400000000 ] - [ -0.0069116000000000, 0.0013459600000000, 0.0035236500000000 ] - [ -0.0000880500000000, 0.0003417700000000, 0.0002132400000000 ] - [ -0.0000262000000000, 0.0005263000000000, -0.0019354700000000 ] - [ 0.0000733600000000, 0.0000794000000000, -0.0001873100000000 ] - [ -0.0000252100000000, 0.0002073700000000, -0.0003722100000000 ] - [ 0.0000836500000000, -0.0020635500000000, -0.0042568500000000 ] - [ 0.0002507300000000, -0.0017190300000000, 0.0001160500000000 ] - [ 0.0002637100000000, 0.0007101000000000, 0.0000460000000000 ] - [ -0.0051595800000000, -0.0102212000000000, -0.0015849000000000 ] - [ -0.0000180300000000, 0.0005106700000000, 0.0001008900000000 ] - [ 0.0002658700000000, 0.0016492500000000, 0.0001826400000000 ] - [ 0.0004735300000000, 0.0003039000000000, 0.0002730900000000 ] - [ 0.0005429000000000, 0.0098258000000000, -0.0062745600000000 ] - [ -0.0000381500000000, 0.0003490300000000, -0.0001378900000000 ] - [ 0.0003752000000000, 0.0004601200000000, 0.0001235600000000 ] - [ 0.0083970700000000, 0.0034131800000000, -0.0006477300000000 ] - [ 0.1798375300000000, -0.1155689700000000, 0.0254595800000000 ] - [ -0.0000429300000000, 0.0002716100000000, -0.0001115300000000 ] - [ -0.0018861100000000, 0.0007283400000000, -0.0001203300000000 ] - [ -0.0003668600000000, 0.0000437300000000, -0.0000493300000000 ] - [ 0.0001174900000000, 0.0000885700000000, -0.0000996700000000 ] - [ -0.0228657000000000, 0.0171750200000000, -0.0184486100000000 ] - [ -0.0001682300000000, 0.0001247000000000, 0.0000733400000000 ] - [ -0.0057410900000000, -0.0012570600000000, -0.0018118900000000 ] - [ 0.0035860800000000, -0.0000164200000000, -0.0005608200000000 ] - [ 0.0006383600000000, 0.0001909000000000, -0.0000469600000000 ] - [ -0.0002482800000000, 0.0005635000000000, -0.0001227600000000 ] - [ 0.0002270100000000, -0.0032738800000000, 0.0003508400000000 ] - [ -0.0224541100000000, -0.0030980600000000, -0.0026958700000000 ] - [ 0.0000688700000000, 0.0002908200000000, 0.0001134300000000 ] - [ 0.0002943700000000, 0.0015960700000000, -0.0000722100000000 ] - [ 0.0004060700000000, -0.0002736900000000, 0.0000933900000000 ] - [ -0.0018540300000000, 0.0075176600000000, 0.0044141500000000 ] - [ 0.0001104500000000, 0.0002925000000000, 0.0001297900000000 ] - [ -0.0006259200000000, 0.0001032800000000, 0.0001021700000000 ] - [ -0.0006240800000000, 0.0002913200000000, 0.0002589800000000 ] - [ -0.0031723000000000, 0.0000711200000000, -0.0000774100000000 ] - [ -0.0000395300000000, 0.0003429300000000, -0.0000458600000000 ] - [ 0.0000553300000000, 0.0001895300000000, 0.0003386000000000 ] - [ 0.0061906600000000, -0.0051476200000000, 0.0067587700000000 ] - [ 0.0001766300000000, 0.0004953500000000, 0.0017028800000000 ] - [ -0.0000286800000000, 0.0000072500000000, 0.0001694200000000 ] - [ -0.0044124000000000, -0.0015997000000000, -0.0001524100000000 ] - [ 0.0000487000000000, 0.0003415000000000, -0.0001983600000000 ] - [ -0.0001273100000000, 0.0000256100000000, -0.0000943400000000 ] - [ -0.0041074900000000, 0.0017436800000000, 0.0002095300000000 ] - [ 0.0001212300000000, 0.0002656800000000, 0.0001024900000000 ] - [ -0.0004533200000000, -0.0006354500000000, 0.0003324100000000 ] - [ -0.0006247300000000, -0.0004083200000000, 0.0018639500000000 ] - [ -0.0000085400000000, 0.0002406300000000, 0.0000141200000000 ] - [ -0.0002344500000000, 0.0000668000000000, -0.0000618400000000 ] - [ -0.0003967400000000, 0.0001131400000000, -0.0001317300000000 ] - [ -0.0007993900000000, -0.0002321600000000, 0.0004216000000000 ] - [ -0.0001218400000000, 0.0003087200000000, 0.0000509200000000 ] - [ -0.0006904900000000, -0.0009572000000000, -0.0015069800000000 ] - [ -0.0002004400000000, 0.0003240000000000, -0.0000705300000000 ] - [ -0.0009135700000000, -0.0002409800000000, -0.0043856300000000 ] - [ 0.0001459400000000, 0.0001333800000000, -0.0000452600000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007174300000000, -0.0020063600000000, 0.0004774100000000 ] - [ 0.0032917200000000, -0.0030861300000000, -0.0051039300000000 ] - [ -0.0038382900000000, 0.0130106300000000, 0.0001937800000000 ] - [ 0.0000765900000000, -0.0018959500000000, -0.0001011800000000 ] - [ 0.0005440100000000, -0.0015807300000000, -0.0002086800000000 ] - [ -0.0005028900000000, -0.0002949000000000, 0.0002107400000000 ] - [ 0.0027475400000000, 0.0043641900000000, -0.0008610800000000 ] - [ -0.0001023500000000, -0.0017963000000000, 0.0000150500000000 ] - [ 0.0001348000000000, 0.0000096200000000, -0.0005376200000000 ] - [ -0.0003210000000000, -0.0017459600000000, 0.0001334600000000 ] - [ -0.0003045200000000, 0.0044088700000000, 0.0013641800000000 ] - [ -0.0000072300000000, -0.0021383500000000, -0.0000021100000000 ] - [ 0.0012773300000000, 0.0047447800000000, -0.0001084500000000 ] - [ -0.0001086200000000, -0.0023106000000000, 0.0000485100000000 ] - [ 0.0004378800000000, -0.0038588900000000, -0.0004475500000000 ] - [ -0.0109238300000000, -0.0067910900000000, -0.0008773000000000 ] - [ -0.0580371600000000, 0.0676639600000000, -0.0052618200000000 ] - [ -0.0000859000000000, -0.0031854900000000, 0.0000099800000000 ] - [ -0.0005760200000000, -0.0025401700000000, 0.0001113000000000 ] - [ 0.0021235500000000, -0.0009094400000000, -0.0008254400000000 ] - [ -0.0031252300000000, 0.0085687200000000, -0.0004970300000000 ] - [ 0.0001871600000000, -0.0029452000000000, -0.0000427300000000 ] - [ -0.0068588900000000, 0.0044659900000000, 0.0041952800000000 ] - [ 0.0001333400000000, -0.0022234600000000, -0.0000367400000000 ] - [ -0.0016227800000000, 0.0006601800000000, 0.0013181500000000 ] - [ 0.0006677800000000, -0.0016661600000000, -0.0000308800000000 ] - [ 0.0000063100000000, -0.0002528900000000, -0.0000030800000000 ] - [ 0.0007672800000000, 0.0003738400000000, 0.0020747500000000 ] - [ 0.0004766200000000, 0.0048529500000000, 0.0012159100000000 ] - [ 0.0000819300000000, -0.0026531300000000, 0.0001868100000000 ] - [ 0.0050298300000000, -0.0097227400000000, 0.0046666200000000 ] - [ -0.0009413300000000, -0.0040061900000000, -0.0005452400000000 ] - [ -0.0029541700000000, -0.0046422400000000, -0.0018496600000000 ] - [ 0.0005005500000000, -0.0036909800000000, 0.0006104900000000 ] - [ -0.0019589800000000, 0.0082494400000000, 0.0008398500000000 ] - [ 0.0000376900000000, -0.0029723400000000, -0.0000431200000000 ] - [ -0.0304185800000000, 0.1853780100000000, -0.0945869500000000 ] - [ 0.0000045600000000, -0.0031629200000000, -0.0000503100000000 ] - [ 0.0028179000000000, 0.0005194000000000, -0.0010618800000000 ] - [ -0.0001562300000000, -0.0020644900000000, 0.0000416000000000 ] - [ 0.0000808400000000, -0.0056166700000000, -0.0046990400000000 ] - [ -0.0003777300000000, -0.0036283400000000, 0.0005700200000000 ] - [ 0.0108146800000000, 0.0054203700000000, 0.0030543300000000 ] - [ -0.0001455400000000, -0.0026629900000000, -0.0001745100000000 ] - [ -0.0001023300000000, -0.0022195500000000, 0.0001452900000000 ] - [ 0.0000278600000000, -0.0005749200000000, -0.0000690700000000 ] - [ 0.0010131700000000, -0.0013005400000000, -0.0025982500000000 ] - [ -0.0001758400000000, 0.0007870700000000, 0.0000151800000000 ] - [ -0.0002111500000000, -0.0000922000000000, -0.0001210800000000 ] - [ 0.0001625500000000, 0.0007959000000000, 0.0000259400000000 ] - [ 0.0007291000000000, -0.0015477600000000, -0.0017565500000000 ] - [ 0.0003921500000000, 0.0015887600000000, -0.0000129800000000 ] - [ -0.0000659500000000, 0.0009582400000000, -0.0002675400000000 ] - [ -0.0001946500000000, 0.0007313900000000, 0.0003356700000000 ] - [ -0.0004811300000000, 0.0016458700000000, -0.0001282500000000 ] - [ 0.0000104600000000, -0.0010064200000000, 0.0011847500000000 ] - [ -0.0009268200000000, -0.0051358800000000, -0.0019030500000000 ] - [ 0.0003809100000000, 0.0016838500000000, 0.0000042900000000 ] - [ 0.0003783300000000, 0.0016897600000000, -0.0004510500000000 ] - [ -0.0018905800000000, -0.0014832200000000, 0.0011677700000000 ] - [ 0.0009649200000000, -0.0051365000000000, -0.0010345100000000 ] - [ -0.0003699500000000, 0.0019396000000000, 0.0006248700000000 ] - [ -0.0000239000000000, 0.0014892500000000, -0.0040412400000000 ] - [ 0.0000687200000000, 0.0010129300000000, 0.0005736600000000 ] - [ -0.0000455600000000, 0.0010164600000000, -0.0003665000000000 ] - [ 0.0006794700000000, -0.0023011400000000, -0.0003486300000000 ] - [ 0.0008767000000000, 0.0022062800000000, -0.0005364500000000 ] - [ -0.0016208600000000, 0.0023367900000000, -0.0003836100000000 ] - [ 0.0102713100000000, 0.0046508600000000, 0.0010252000000000 ] - [ -0.0004144200000000, 0.0022718800000000, 0.0005508600000000 ] - [ 0.0001254100000000, 0.0042130300000000, 0.0004900300000000 ] - [ 0.0019721900000000, 0.0045406700000000, 0.0030094900000000 ] - [ -0.0124006000000000, 0.0235849800000000, -0.0178037200000000 ] - [ -0.0002779100000000, 0.0023793000000000, -0.0005037900000000 ] - [ 0.0004737300000000, 0.0023909100000000, 0.0006573600000000 ] - [ 0.0032734600000000, 0.0338366200000000, -0.0012045600000000 ] - [ 0.1176122800000000, -0.3250656100000000, 0.1433592000000000 ] - [ -0.0003440600000000, 0.0020932900000000, -0.0005625900000000 ] - [ -0.0045660400000000, 0.0014734500000000, 0.0003591000000000 ] - [ 0.0004517800000000, 0.0010298000000000, -0.0000899300000000 ] - [ 0.0001427800000000, 0.0010206300000000, -0.0000535500000000 ] - [ -0.0203373200000000, 0.0034723200000000, -0.0122934900000000 ] - [ -0.0001075000000000, 0.0009625200000000, 0.0000767200000000 ] - [ -0.0005265000000000, -0.0020970900000000, -0.0005765200000000 ] - [ 0.0010286200000000, 0.0023970300000000, 0.0012428500000000 ] - [ 0.0002839200000000, 0.0015037200000000, -0.0002207900000000 ] - [ -0.0005686500000000, 0.0021405700000000, -0.0004623100000000 ] - [ 0.0032568700000000, -0.0024210700000000, 0.0008406500000000 ] - [ -0.0031145300000000, -0.0094396800000000, -0.0008425800000000 ] - [ 0.0003637800000000, 0.0019951000000000, 0.0005534400000000 ] - [ -0.0006886500000000, 0.0025476800000000, -0.0001067800000000 ] - [ 0.0013477500000000, 0.0024220400000000, -0.0011916000000000 ] - [ -0.0070660800000000, 0.0048712100000000, 0.0049754600000000 ] - [ 0.0004849500000000, 0.0022052500000000, 0.0005163700000000 ] - [ -0.0005066000000000, 0.0008275000000000, 0.0003851900000000 ] - [ -0.0002578200000000, 0.0008558800000000, 0.0003756500000000 ] - [ -0.0001796200000000, -0.0023323200000000, 0.0004754000000000 ] - [ 0.0002509900000000, 0.0018008900000000, -0.0004544200000000 ] - [ -0.0000040300000000, 0.0010153200000000, 0.0004134000000000 ] - [ 0.0053941900000000, 0.0023447000000000, -0.0165266500000000 ] - [ -0.0003575800000000, 0.0004668900000000, 0.0022108700000000 ] - [ 0.0000928600000000, 0.0009220500000000, -0.0004392000000000 ] - [ -0.0025846100000000, -0.0049222900000000, 0.0013073300000000 ] - [ 0.0003298000000000, 0.0019167800000000, -0.0006023700000000 ] - [ -0.0001839000000000, 0.0016065800000000, 0.0003581900000000 ] - [ -0.0025608100000000, 0.0000114100000000, -0.0002190600000000 ] - [ 0.0005522600000000, 0.0015918400000000, -0.0000044400000000 ] - [ 0.0011368400000000, -0.0003376800000000, -0.0006170500000000 ] - [ 0.0020783100000000, -0.0042197900000000, -0.0001314300000000 ] - [ -0.0003767600000000, 0.0016578100000000, 0.0000054900000000 ] - [ 0.0004128200000000, 0.0009122900000000, -0.0000065400000000 ] - [ 0.0001117200000000, 0.0007936100000000, -0.0000369700000000 ] - [ 0.0002162200000000, -0.0021885100000000, 0.0000739900000000 ] - [ -0.0004625000000000, 0.0015867700000000, 0.0000414800000000 ] - [ 0.0012018200000000, 0.0004864400000000, 0.0011733500000000 ] - [ -0.0005790800000000, 0.0010302700000000, -0.0003572600000000 ] - [ -0.0023109300000000, -0.0013298500000000, -0.0025821200000000 ] - [ 0.0001790500000000, 0.0008001100000000, -0.0000279000000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006936000000000, 0.0020533500000000, -0.0003626600000000 ] - [ -0.0032881200000000, 0.0031246400000000, 0.0051752000000000 ] - [ 0.0036188400000000, -0.0132364000000000, 0.0001889800000000 ] - [ -0.0001008300000000, 0.0018469600000000, 0.0001334600000000 ] - [ -0.0005100600000000, 0.0016214500000000, 0.0000801900000000 ] - [ 0.0005320400000000, 0.0003482400000000, -0.0003373200000000 ] - [ -0.0027177200000000, -0.0044278300000000, 0.0008195800000000 ] - [ 0.0001176800000000, 0.0017506200000000, -0.0000347200000000 ] - [ -0.0004955100000000, 0.0000119100000000, 0.0004549800000000 ] - [ -0.0000391900000000, 0.0017786300000000, -0.0002164500000000 ] - [ 0.0002961800000000, -0.0040868500000000, -0.0013546800000000 ] - [ 0.0000069500000000, 0.0024797900000000, 0.0000021600000000 ] - [ -0.0014475100000000, -0.0046886900000000, 0.0001068300000000 ] - [ -0.0000639400000000, 0.0023259200000000, -0.0000685500000000 ] - [ -0.0004402500000000, 0.0035653400000000, 0.0004510300000000 ] - [ 0.0108312700000000, 0.0064719000000000, 0.0008735900000000 ] - [ 0.0611681400000000, -0.0694730500000000, 0.0054379300000000 ] - [ 0.0000846000000000, 0.0028867200000000, -0.0000099400000000 ] - [ 0.0005764500000000, 0.0027113800000000, -0.0001121800000000 ] - [ -0.0021071700000000, 0.0011008100000000, 0.0008229400000000 ] - [ 0.0031124100000000, -0.0087992400000000, 0.0004840400000000 ] - [ -0.0001860000000000, 0.0027270900000000, 0.0000422100000000 ] - [ 0.0070332600000000, -0.0044338900000000, -0.0041780300000000 ] - [ 0.0000397400000000, 0.0022377200000000, 0.0000570200000000 ] - [ 0.0019874300000000, -0.0006384500000000, -0.0012392800000000 ] - [ -0.0003037200000000, 0.0016999400000000, 0.0001140600000000 ] - [ -0.0000078200000000, 0.0002020100000000, 0.0000033500000000 ] - [ -0.0007643500000000, -0.0004248400000000, -0.0020646300000000 ] - [ -0.0004198900000000, -0.0047941100000000, -0.0008088800000000 ] - [ -0.0000369900000000, 0.0026656300000000, 0.0002143400000000 ] - [ -0.0049978900000000, 0.0097050100000000, -0.0039726300000000 ] - [ 0.0009669000000000, 0.0039754500000000, 0.0012267900000000 ] - [ 0.0025115500000000, 0.0048808300000000, 0.0020224300000000 ] - [ -0.0009523700000000, 0.0039284700000000, -0.0004270500000000 ] - [ 0.0017861600000000, -0.0080896400000000, -0.0010074300000000 ] - [ -0.0002211800000000, 0.0030123700000000, -0.0001479300000000 ] - [ 0.0283625000000000, -0.1767694300000000, 0.0880085200000000 ] - [ 0.0001795400000000, 0.0032026300000000, 0.0002423400000000 ] - [ -0.0023673300000000, -0.0002868800000000, 0.0008885300000000 ] - [ 0.0006116200000000, 0.0023163700000000, -0.0002196100000000 ] - [ -0.0001347900000000, 0.0055916800000000, 0.0040158600000000 ] - [ 0.0003392100000000, 0.0036021300000000, -0.0012512600000000 ] - [ -0.0108475100000000, -0.0053880500000000, -0.0034515500000000 ] - [ 0.0001005600000000, 0.0026758800000000, -0.0002276100000000 ] - [ 0.0001035900000000, 0.0022542800000000, -0.0001456400000000 ] - [ -0.0000269600000000, 0.0006295000000000, 0.0000652600000000 ] - [ -0.0013020300000000, 0.0013668400000000, 0.0025781300000000 ] - [ -0.0001098500000000, -0.0007123200000000, -0.0000271900000000 ] - [ 0.0004918600000000, 0.0000893600000000, 0.0000549400000000 ] - [ 0.0001167200000000, -0.0008043800000000, -0.0000909900000000 ] - [ -0.0007038200000000, 0.0016339500000000, 0.0015945500000000 ] - [ -0.0003699500000000, -0.0015145400000000, -0.0001466900000000 ] - [ 0.0003182300000000, -0.0010091300000000, 0.0002252900000000 ] - [ 0.0004499300000000, -0.0007924900000000, -0.0003711100000000 ] - [ 0.0002692700000000, -0.0016287400000000, 0.0001091500000000 ] - [ -0.0002154500000000, 0.0010053400000000, -0.0011966900000000 ] - [ 0.0007785900000000, 0.0050924000000000, 0.0018425800000000 ] - [ -0.0005293100000000, -0.0017290600000000, -0.0000068800000000 ] - [ -0.0004538600000000, -0.0018588400000000, 0.0006434200000000 ] - [ 0.0017979900000000, 0.0012922700000000, -0.0009644900000000 ] - [ -0.0009758500000000, 0.0053189800000000, 0.0012558400000000 ] - [ 0.0003199300000000, -0.0017387300000000, -0.0003892200000000 ] - [ 0.0001506400000000, -0.0015855200000000, 0.0038570100000000 ] - [ 0.0000576900000000, -0.0011021400000000, -0.0007703000000000 ] - [ 0.0000163600000000, -0.0009865400000000, -0.0002675000000000 ] - [ -0.0007113300000000, 0.0023046200000000, -0.0003000000000000 ] - [ -0.0008292400000000, -0.0025697200000000, 0.0005980300000000 ] - [ 0.0016517700000000, -0.0026971000000000, 0.0004426900000000 ] - [ -0.0103176500000000, -0.0045434500000000, -0.0010325700000000 ] - [ 0.0004531600000000, -0.0021428200000000, -0.0005613100000000 ] - [ -0.0001501100000000, -0.0042872700000000, -0.0004427800000000 ] - [ -0.0019807600000000, -0.0045777300000000, -0.0029335000000000 ] - [ 0.0125199200000000, -0.0236474200000000, 0.0179246100000000 ] - [ 0.0002290400000000, -0.0021871700000000, 0.0003650100000000 ] - [ -0.0003965800000000, -0.0023605700000000, -0.0007020700000000 ] - [ -0.0031926000000000, -0.0331086900000000, 0.0011436700000000 ] - [ -0.1182299800000000, 0.3177741900000000, -0.1370953700000000 ] - [ 0.0002658100000000, -0.0021546200000000, 0.0004734300000000 ] - [ 0.0039714900000000, -0.0015006100000000, -0.0004852800000000 ] - [ -0.0010571800000000, -0.0010535100000000, -0.0000309600000000 ] - [ -0.0001015100000000, -0.0010502100000000, -0.0001465900000000 ] - [ 0.0202342400000000, -0.0035179300000000, 0.0119752100000000 ] - [ 0.0000652100000000, -0.0009916900000000, 0.0001236400000000 ] - [ 0.0004671900000000, 0.0020418600000000, 0.0007676800000000 ] - [ -0.0004178700000000, -0.0024310100000000, -0.0011282000000000 ] - [ 0.0003280700000000, -0.0015224300000000, 0.0003377700000000 ] - [ 0.0004904200000000, -0.0021097400000000, 0.0005064300000000 ] - [ -0.0033053400000000, 0.0024134500000000, -0.0007852200000000 ] - [ 0.0030270100000000, 0.0093582400000000, 0.0009142500000000 ] - [ -0.0002835200000000, -0.0020567800000000, -0.0004659800000000 ] - [ 0.0007173100000000, -0.0026066300000000, 0.0000544900000000 ] - [ -0.0013034600000000, -0.0024798800000000, 0.0011313500000000 ] - [ 0.0071638500000000, -0.0046688700000000, -0.0048498100000000 ] - [ -0.0004358300000000, -0.0020149400000000, -0.0003763400000000 ] - [ 0.0004580500000000, -0.0011901700000000, -0.0004448300000000 ] - [ 0.0002076600000000, -0.0012292800000000, -0.0004367200000000 ] - [ 0.0001341300000000, 0.0024734300000000, -0.0004672100000000 ] - [ -0.0002893100000000, -0.0016762700000000, 0.0004659700000000 ] - [ 0.0000336700000000, -0.0009859200000000, 0.0002203000000000 ] - [ -0.0053572800000000, -0.0023596200000000, 0.0170307600000000 ] - [ 0.0002337100000000, -0.0005541000000000, -0.0020099700000000 ] - [ -0.0002173200000000, -0.0010129000000000, 0.0006381900000000 ] - [ 0.0026203200000000, 0.0051098700000000, -0.0015364500000000 ] - [ -0.0002795800000000, -0.0017161200000000, 0.0003659000000000 ] - [ 0.0002596400000000, -0.0017764100000000, -0.0005486000000000 ] - [ 0.0026310000000000, -0.0001917300000000, 0.0000241700000000 ] - [ -0.0003419900000000, -0.0015743700000000, 0.0000235400000000 ] - [ -0.0009321100000000, 0.0003405500000000, 0.0006367100000000 ] - [ -0.0019235300000000, 0.0041687900000000, 0.0001383700000000 ] - [ 0.0005259200000000, -0.0017028100000000, -0.0000034100000000 ] - [ -0.0006673900000000, -0.0009649400000000, 0.0000491400000000 ] - [ -0.0003677500000000, -0.0008552700000000, 0.0000776600000000 ] - [ -0.0002415900000000, 0.0022716000000000, 0.0000844200000000 ] - [ 0.0004393800000000, -0.0015123600000000, 0.0001180800000000 ] - [ -0.0014826600000000, -0.0004902000000000, -0.0011074800000000 ] - [ 0.0002964100000000, -0.0010375900000000, 0.0004186700000000 ] - [ 0.0025929200000000, 0.0013962800000000, 0.0025758800000000 ] - [ 0.0001059800000000, -0.0007260400000000, 0.0000412100000000 ]- atom: 77 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0001180400000000, 0.0006162800000000, -0.0000056800000000 ] - [ -0.0000556600000000, -0.0011624900000000, 0.0003709600000000 ] - [ -0.0048104800000000, -0.0013134600000000, 0.0095441800000000 ] - [ -0.0000135800000000, 0.0002270300000000, 0.0000204400000000 ] - [ 0.0003954400000000, 0.0000018500000000, -0.0000758300000000 ] - [ 0.0006951900000000, 0.0006564500000000, 0.0001027400000000 ] - [ 0.0031861100000000, -0.0009417800000000, -0.0011261600000000 ] - [ 0.0000580600000000, 0.0002481600000000, 0.0000027900000000 ] - [ 0.0010074700000000, 0.0010926100000000, -0.0015075500000000 ] - [ -0.0000251400000000, 0.0003115000000000, -0.0002806200000000 ] - [ 0.0030435700000000, 0.0008023700000000, -0.0048344600000000 ] - [ 0.0000359800000000, 0.0005148000000000, -0.0000385300000000 ] - [ -0.0038707700000000, -0.0043613800000000, -0.0029033900000000 ] - [ -0.0001140200000000, 0.0004230900000000, -0.0000210200000000 ] - [ -0.0003885300000000, 0.0001293600000000, 0.0011668400000000 ] - [ -0.0008517100000000, 0.0009941100000000, 0.0011962700000000 ] - [ -0.0486469800000000, 0.0257507900000000, 0.0168734600000000 ] - [ -0.0000288100000000, 0.0002730300000000, 0.0000869200000000 ] - [ 0.0003371300000000, 0.0007144200000000, -0.0000250800000000 ] - [ 0.0002042000000000, -0.0000947400000000, 0.0006804200000000 ] - [ 0.0045170500000000, -0.0001875000000000, 0.0024770100000000 ] - [ 0.0000027300000000, 0.0002932900000000, 0.0000039400000000 ] - [ 0.0090008600000000, -0.0013560500000000, -0.0076505000000000 ] - [ 0.0000851900000000, 0.0002743800000000, -0.0000414100000000 ] - [ 0.0007398300000000, 0.0001006200000000, -0.0006041100000000 ] - [ 0.0001792500000000, 0.0003315400000000, -0.0000318200000000 ] - [ -0.0000189900000000, 0.0000069400000000, -0.0000111200000000 ] - [ -0.0018909200000000, -0.0001964800000000, -0.0025479000000000 ] - [ 0.0042277700000000, -0.0047219300000000, -0.0038832300000000 ] - [ 0.0000831200000000, 0.0004777100000000, 0.0001618700000000 ] - [ -0.0021851800000000, 0.0034148000000000, -0.0008286100000000 ] - [ -0.0001033800000000, 0.0002291300000000, 0.0003945100000000 ] - [ -0.0027730100000000, 0.0030195900000000, 0.0030533000000000 ] - [ -0.0004039300000000, 0.0004500500000000, 0.0002895400000000 ] - [ 0.0000022000000000, 0.0040283500000000, 0.0052317800000000 ] - [ -0.0000948200000000, 0.0003912900000000, 0.0000066300000000 ] - [ -0.0079196400000000, -0.0640885000000000, 0.0751293200000000 ] - [ 0.0000264600000000, 0.0004527000000000, 0.0001622200000000 ] - [ 0.0001460900000000, -0.0001241200000000, 0.0006842300000000 ] - [ 0.0002700600000000, 0.0004929300000000, -0.0000950100000000 ] - [ -0.0029279700000000, -0.0051074400000000, -0.0021873300000000 ] - [ -0.0001155000000000, 0.0008860600000000, -0.0002896300000000 ] - [ -0.0010174800000000, -0.0010119300000000, -0.0007003900000000 ] - [ -0.0000258300000000, 0.0004483200000000, -0.0002089400000000 ] - [ 0.0001599600000000, 0.0005384700000000, -0.0003654200000000 ] - [ 0.0016746100000000, 0.0002890200000000, -0.0019428800000000 ] - [ -0.0018956200000000, 0.0009124100000000, 0.0047991800000000 ] - [ -0.0001393800000000, -0.0000833300000000, 0.0000229200000000 ] - [ -0.0001387700000000, -0.0002059000000000, 0.0000574200000000 ] - [ 0.0001024200000000, -0.0001222600000000, 0.0000185400000000 ] - [ -0.0015843600000000, -0.0013857100000000, 0.0022287200000000 ] - [ -0.0000820700000000, -0.0001942300000000, -0.0000424500000000 ] - [ 0.0000128300000000, -0.0004885600000000, 0.0003338700000000 ] - [ -0.0001805000000000, -0.0000123800000000, 0.0003679700000000 ] - [ -0.0000461600000000, -0.0003296400000000, 0.0000828200000000 ] - [ -0.0006578700000000, 0.0016341900000000, 0.0010332800000000 ] - [ 0.0003814700000000, 0.0002570000000000, 0.0099268700000000 ] - [ -0.0001505700000000, -0.0002981000000000, 0.0000089600000000 ] - [ -0.0001643900000000, -0.0004618200000000, 0.0002301700000000 ] - [ -0.0009026000000000, 0.0009954700000000, 0.0002593000000000 ] - [ -0.0074222900000000, 0.0024309200000000, 0.0024472600000000 ] - [ 0.0000171700000000, -0.0001963100000000, 0.0000566100000000 ] - [ 0.0002343300000000, -0.0006853800000000, 0.0010527900000000 ] - [ 0.0000894400000000, -0.0001373900000000, -0.0000551300000000 ] - [ 0.0000244100000000, -0.0001460400000000, -0.0003566800000000 ] - [ 0.0027617700000000, 0.0006057800000000, -0.0011704900000000 ] - [ 0.0001209700000000, -0.0012298300000000, -0.0000981800000000 ] - [ 0.0001192100000000, -0.0002176200000000, -0.0001156000000000 ] - [ -0.0037692500000000, -0.0057660500000000, -0.0034915400000000 ] - [ 0.0000844500000000, -0.0002018100000000, -0.0001050400000000 ] - [ 0.0000838700000000, -0.0017230500000000, -0.0005068200000000 ] - [ 0.0001313900000000, -0.0001121100000000, -0.0001074200000000 ] - [ 0.0076689300000000, -0.0115109700000000, 0.0032035600000000 ] - [ 0.0000246000000000, -0.0001229000000000, -0.0000365200000000 ] - [ 0.0000761400000000, -0.0003662600000000, -0.0003188000000000 ] - [ 0.0048114500000000, 0.0042450500000000, -0.0065878500000000 ] - [ 0.0681467500000000, 0.0636873200000000, -0.1117769400000000 ] - [ 0.0000156600000000, -0.0003341200000000, 0.0000072300000000 ] - [ 0.0013846700000000, -0.0004854300000000, -0.0006299100000000 ] - [ -0.0002742500000000, -0.0001508500000000, -0.0000825100000000 ] - [ 0.0000397900000000, -0.0001869300000000, -0.0001197500000000 ] - [ 0.0025965700000000, 0.0006892100000000, -0.0062258800000000 ] - [ -0.0000708000000000, -0.0001646800000000, 0.0000876800000000 ] - [ -0.0026968400000000, 0.0000907900000000, -0.0006055700000000 ] - [ 0.0026310500000000, 0.0006512800000000, -0.0009481200000000 ] - [ 0.0004862400000000, -0.0002209400000000, -0.0000806300000000 ] - [ -0.0000333700000000, -0.0001078700000000, -0.0001217300000000 ] - [ -0.0001882400000000, -0.0009024700000000, -0.0010202600000000 ] - [ -0.0087669200000000, -0.0007813400000000, -0.0059884200000000 ] - [ -0.0000045900000000, -0.0003169600000000, -0.0000590400000000 ] - [ 0.0002131200000000, 0.0014566100000000, -0.0004582700000000 ] - [ 0.0001637300000000, -0.0006636200000000, -0.0001895700000000 ] - [ -0.0030347800000000, 0.0074174200000000, 0.0012515200000000 ] - [ -0.0000315200000000, -0.0003107800000000, -0.0000611000000000 ] - [ -0.0001044400000000, -0.0003621400000000, -0.0002652700000000 ] - [ -0.0002053200000000, -0.0003405900000000, -0.0001666200000000 ] - [ -0.0016206200000000, 0.0005342900000000, -0.0005758200000000 ] - [ -0.0000679800000000, -0.0001998100000000, 0.0000671000000000 ] - [ 0.0000551200000000, -0.0000883600000000, 0.0002848000000000 ] - [ -0.0034596500000000, -0.0177243700000000, 0.0220970500000000 ] - [ -0.0002416400000000, 0.0005405000000000, 0.0017910900000000 ] - [ -0.0001405100000000, -0.0003586400000000, 0.0002306500000000 ] - [ -0.0005548800000000, 0.0011017100000000, -0.0008962300000000 ] - [ -0.0000331200000000, -0.0001914700000000, -0.0000538200000000 ] - [ 0.0000240500000000, -0.0003988700000000, -0.0001937700000000 ] - [ 0.0001777400000000, -0.0000780800000000, -0.0000923300000000 ] - [ -0.0000800500000000, -0.0002074000000000, 0.0001855000000000 ] - [ -0.0023754600000000, -0.0013150100000000, 0.0013263500000000 ] - [ -0.0034393500000000, 0.0016094900000000, 0.0029588100000000 ] - [ 0.0001222700000000, -0.0002701300000000, 0.0000156200000000 ] - [ -0.0004347500000000, -0.0002750500000000, 0.0002201800000000 ] - [ -0.0005623900000000, -0.0003867000000000, 0.0003068400000000 ] - [ -0.0009344000000000, 0.0001248300000000, 0.0015018200000000 ] - [ 0.0000266000000000, -0.0002093600000000, 0.0001010100000000 ] - [ -0.0001801400000000, -0.0004906200000000, -0.0007956200000000 ] - [ -0.0000935700000000, -0.0001574600000000, -0.0000005500000000 ] - [ 0.0018727100000000, 0.0005774600000000, 0.0003760700000000 ] - [ 0.0001484500000000, -0.0000972600000000, 0.0000279600000000 ]- atom: 77 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0001414500000000, -0.0005594900000000, 0.0001219000000000 ] - [ 0.0000128900000000, 0.0012195800000000, -0.0002264800000000 ] - [ 0.0041130300000000, 0.0004969500000000, -0.0084761800000000 ] - [ -0.0000116500000000, -0.0002811000000000, 0.0000093000000000 ] - [ -0.0003649500000000, 0.0000505100000000, -0.0000531500000000 ] - [ -0.0006623300000000, -0.0006029000000000, -0.0002416300000000 ] - [ -0.0031756900000000, 0.0008816100000000, 0.0010992800000000 ] - [ -0.0000412900000000, -0.0002993400000000, -0.0000153900000000 ] - [ -0.0013651600000000, -0.0010456200000000, 0.0014329000000000 ] - [ -0.0003369800000000, -0.0002782600000000, 0.0002056600000000 ] - [ -0.0030385700000000, -0.0004631400000000, 0.0048180300000000 ] - [ -0.0000365000000000, -0.0001858000000000, 0.0000385800000000 ] - [ 0.0036619100000000, 0.0043454700000000, 0.0028777000000000 ] - [ -0.0000630200000000, -0.0004059000000000, 0.0000043900000000 ] - [ 0.0003897900000000, -0.0003932600000000, -0.0011693100000000 ] - [ 0.0008994500000000, -0.0012392300000000, -0.0012009200000000 ] - [ 0.0489278600000000, -0.0265854200000000, -0.0163096000000000 ] - [ 0.0000291300000000, -0.0005852900000000, -0.0000882100000000 ] - [ -0.0003377600000000, -0.0005104000000000, 0.0000242200000000 ] - [ -0.0002102600000000, 0.0002948600000000, -0.0006689800000000 ] - [ -0.0045059400000000, -0.0000398900000000, -0.0024515500000000 ] - [ -0.0000042800000000, -0.0005250900000000, -0.0000041900000000 ] - [ -0.0088379800000000, 0.0013634900000000, 0.0076722700000000 ] - [ 0.0000927800000000, -0.0002577700000000, 0.0000582100000000 ] - [ -0.0003812700000000, -0.0000603000000000, 0.0006811500000000 ] - [ 0.0001816500000000, -0.0002967600000000, 0.0001072500000000 ] - [ 0.0000182400000000, -0.0000571000000000, 0.0000107100000000 ] - [ 0.0019041700000000, 0.0001478500000000, 0.0025572700000000 ] - [ -0.0041561500000000, 0.0046951300000000, 0.0043001900000000 ] - [ -0.0000316900000000, -0.0004658300000000, 0.0002500800000000 ] - [ 0.0022430200000000, -0.0034455900000000, 0.0015501700000000 ] - [ 0.0001516300000000, -0.0002274100000000, 0.0003207900000000 ] - [ 0.0023163300000000, -0.0027661000000000, -0.0028982900000000 ] - [ -0.0000519800000000, -0.0001851600000000, -0.0001356200000000 ] - [ -0.0001647300000000, -0.0039787400000000, -0.0053940000000000 ] - [ -0.0000933600000000, -0.0003502200000000, -0.0001937400000000 ] - [ 0.0072948100000000, 0.0652887800000000, -0.0748212500000000 ] - [ 0.0001634900000000, -0.0004122000000000, 0.0000238900000000 ] - [ 0.0003117800000000, 0.0003806000000000, -0.0008407000000000 ] - [ 0.0001864100000000, -0.0002335400000000, -0.0000629500000000 ] - [ 0.0028925300000000, 0.0051094500000000, 0.0014727900000000 ] - [ 0.0000726500000000, -0.0008887900000000, -0.0004281000000000 ] - [ 0.0009050000000000, 0.0010002500000000, 0.0002529700000000 ] - [ -0.0000262100000000, -0.0004358500000000, -0.0002046800000000 ] - [ -0.0001609900000000, -0.0004669900000000, 0.0003647800000000 ] - [ -0.0016771800000000, -0.0002346500000000, 0.0019422800000000 ] - [ 0.0016132400000000, -0.0008389400000000, -0.0048354800000000 ] - [ -0.0001367900000000, 0.0001526000000000, -0.0000517400000000 ] - [ 0.0004097600000000, 0.0001935000000000, -0.0001384700000000 ] - [ 0.0001709700000000, 0.0001125400000000, -0.0000957200000000 ] - [ 0.0016016400000000, 0.0014533000000000, -0.0023784200000000 ] - [ 0.0001057000000000, 0.0002744500000000, -0.0001174800000000 ] - [ 0.0002388100000000, 0.0004285200000000, -0.0003787300000000 ] - [ 0.0004300900000000, -0.0000384600000000, -0.0004141300000000 ] - [ -0.0001582000000000, 0.0003438400000000, -0.0001008800000000 ] - [ 0.0004526900000000, -0.0016045600000000, -0.0010516100000000 ] - [ -0.0005103600000000, -0.0003049000000000, -0.0098300200000000 ] - [ 0.0000043600000000, 0.0002498100000000, -0.0000127000000000 ] - [ 0.0000830200000000, 0.0002859900000000, -0.0000323700000000 ] - [ 0.0008228200000000, -0.0011543400000000, -0.0000734000000000 ] - [ 0.0073016500000000, -0.0022280800000000, -0.0021963600000000 ] - [ -0.0000647000000000, 0.0003877500000000, 0.0001840800000000 ] - [ -0.0001113200000000, 0.0005926000000000, -0.0012697800000000 ] - [ 0.0000344800000000, 0.0000427800000000, -0.0001596400000000 ] - [ -0.0000513900000000, 0.0001735800000000, -0.0002723900000000 ] - [ -0.0027800300000000, -0.0005739700000000, 0.0005277400000000 ] - [ -0.0000743500000000, 0.0008583400000000, 0.0001599300000000 ] - [ -0.0000645900000000, -0.0001585600000000, 0.0001757300000000 ] - [ 0.0038135500000000, 0.0058794100000000, 0.0034561000000000 ] - [ -0.0000410200000000, 0.0003247300000000, 0.0000959200000000 ] - [ -0.0001076100000000, 0.0016560600000000, 0.0005519100000000 ] - [ -0.0001616300000000, 0.0000283300000000, 0.0001400700000000 ] - [ -0.0077014500000000, 0.0116858300000000, -0.0033626700000000 ] - [ -0.0000797400000000, 0.0003105100000000, -0.0000994300000000 ] - [ 0.0000033000000000, 0.0003878400000000, 0.0002686300000000 ] - [ -0.0047251500000000, -0.0043529800000000, 0.0065419400000000 ] - [ -0.0671479200000000, -0.0636534400000000, 0.1100982300000000 ] - [ -0.0000973500000000, 0.0002645800000000, -0.0000933200000000 ] - [ -0.0019982400000000, 0.0004608300000000, 0.0005142200000000 ] - [ -0.0003394500000000, 0.0001239900000000, -0.0000324600000000 ] - [ 0.0000041500000000, 0.0001527000000000, -0.0000834800000000 ] - [ -0.0024580800000000, -0.0007719100000000, 0.0060794800000000 ] - [ 0.0000259400000000, 0.0001307600000000, 0.0001149000000000 ] - [ 0.0026342900000000, -0.0001165800000000, 0.0007998500000000 ] - [ -0.0020231400000000, -0.0006747900000000, 0.0010659800000000 ] - [ 0.0001231300000000, 0.0001938100000000, 0.0001966900000000 ] - [ -0.0000460100000000, 0.0001292100000000, 0.0001721600000000 ] - [ 0.0000972000000000, 0.0009259300000000, 0.0010712100000000 ] - [ 0.0088519800000000, 0.0007223600000000, 0.0061331000000000 ] - [ 0.0000875100000000, 0.0002480000000000, 0.0001436800000000 ] - [ -0.0001899000000000, -0.0015303200000000, 0.0004134700000000 ] - [ -0.0001448100000000, 0.0005930400000000, 0.0001476600000000 ] - [ 0.0031152700000000, -0.0072698500000000, -0.0011073100000000 ] - [ 0.0000844700000000, 0.0005008500000000, 0.0001980800000000 ] - [ 0.0000574500000000, -0.0000091800000000, 0.0002034900000000 ] - [ 0.0001590000000000, -0.0000295500000000, 0.0001043800000000 ] - [ 0.0015761200000000, -0.0004046800000000, 0.0005804900000000 ] - [ 0.0000261100000000, 0.0003251200000000, -0.0000594900000000 ] - [ -0.0000279700000000, 0.0001150000000000, 0.0003439500000000 ] - [ 0.0034889900000000, 0.0180442100000000, -0.0217670700000000 ] - [ 0.0001172300000000, -0.0006374900000000, -0.0015777300000000 ] - [ 0.0000164800000000, 0.0002660000000000, -0.0000179300000000 ] - [ 0.0006142500000000, -0.0008958000000000, 0.0006504200000000 ] - [ 0.0000811200000000, 0.0003827700000000, -0.0001889600000000 ] - [ 0.0000564800000000, 0.0002233400000000, -0.0000033300000000 ] - [ -0.0000803000000000, -0.0001008000000000, -0.0001040400000000 ] - [ 0.0002845900000000, 0.0002215700000000, -0.0001687100000000 ] - [ 0.0025913300000000, 0.0013424900000000, -0.0013117700000000 ] - [ 0.0035870900000000, -0.0016539900000000, -0.0029482600000000 ] - [ 0.0000250600000000, 0.0002218800000000, -0.0000125100000000 ] - [ 0.0001860300000000, 0.0002173000000000, -0.0001765400000000 ] - [ 0.0003145800000000, 0.0003337700000000, -0.0002618500000000 ] - [ 0.0009139700000000, -0.0000490500000000, -0.0013370600000000 ] - [ -0.0000495700000000, 0.0002896900000000, 0.0000576500000000 ] - [ -0.0000933700000000, 0.0004791100000000, 0.0008710200000000 ] - [ -0.0001785000000000, 0.0001454700000000, 0.0000784300000000 ] - [ -0.0015817500000000, -0.0005014900000000, -0.0003302500000000 ] - [ 0.0001276200000000, 0.0001662400000000, 0.0000010900000000 ]- atom: 79 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ -0.0091221800000000, -0.0032264200000000, 0.0006101300000000 ] - [ -0.0003602700000000, 0.0001267700000000, 0.0000479400000000 ] - [ -0.0089321200000000, 0.0032367000000000, 0.0006582800000000 ] - [ -0.0003740300000000, -0.0001055300000000, 0.0000144800000000 ] - [ 0.0047428300000000, 0.0027567300000000, 0.0047909900000000 ] - [ 0.0002503600000000, -0.0000455600000000, 0.0000030400000000 ] - [ 0.0045675900000000, -0.0026072700000000, 0.0047405800000000 ] - [ 0.0002477400000000, 0.0000621700000000, 0.0000513300000000 ] - [ -0.0131917500000000, -0.0007104300000000, -0.0127152000000000 ] - [ -0.0002444200000000, 0.0000359500000000, -0.0001143000000000 ] - [ -0.0025646300000000, 0.0001119900000000, 0.0008717600000000 ] - [ -0.0001414700000000, 0.0000088000000000, 0.0001363800000000 ] - [ 0.0007296000000000, 0.0016790500000000, 0.0007502300000000 ] - [ 0.0006066000000000, -0.0016546600000000, 0.0007718500000000 ] - [ 0.0051855100000000, -0.0103872400000000, -0.0114140900000000 ] - [ 0.0002621000000000, 0.0000744200000000, -0.0000366000000000 ] - [ 0.0053235100000000, 0.0099575700000000, -0.0112509800000000 ] - [ 0.0002743600000000, -0.0003592300000000, -0.0000295900000000 ] - [ -0.0099899000000000, 0.0079111000000000, 0.0015240400000000 ] - [ -0.0001199900000000, -0.0002664100000000, 0.0000429800000000 ] - [ -0.0100255100000000, -0.0078844100000000, 0.0015039000000000 ] - [ -0.0001190700000000, 0.0002903500000000, 0.0000459300000000 ] - [ -0.0000754000000000, 0.0000600300000000, -0.0005793800000000 ] - [ -0.0000807300000000, -0.0001065100000000, -0.0006252400000000 ] - [ -0.0031675400000000, -0.0000500300000000, 0.0139232800000000 ] - [ 0.0002011500000000, 0.0000348600000000, 0.0001382800000000 ] - [ 0.0001511900000000, -0.0000078700000000, -0.0000771500000000 ] - [ 0.0001342400000000, -0.0000525900000000, -0.0000829600000000 ] - [ 0.0002597600000000, -0.0020421600000000, -0.0007079200000000 ] - [ 0.0002604400000000, 0.0021135700000000, -0.0006849000000000 ] - [ 0.2026824100000000, -0.0023525500000000, -0.0615743400000000 ] - [ 0.0001644200000000, 0.0000005000000000, 0.0003909500000000 ] - [ -0.0056782000000000, 0.0001882800000000, 0.0023358600000000 ] - [ -0.0003596700000000, 0.0001403900000000, 0.0001517100000000 ] - [ 0.0018840000000000, 0.0001691400000000, -0.0001484800000000 ] - [ 0.0020638800000000, -0.0000640700000000, -0.0002390900000000 ] - [ -0.0011236300000000, 0.0021739200000000, -0.0013695700000000 ] - [ -0.0011692000000000, -0.0021073300000000, -0.0015771200000000 ] - [ 0.2373723000000000, 0.0013740700000000, -0.0640143300000000 ] - [ 0.0003671600000000, 0.0001433700000000, -0.0001988900000000 ] - [ -0.0002390300000000, -0.0000622000000000, -0.0065402400000000 ] - [ -0.0000623800000000, 0.0000011800000000, -0.0004106900000000 ] - [ -0.0016209800000000, -0.0018560400000000, 0.0009796600000000 ] - [ -0.0016949600000000, 0.0019084100000000, 0.0009803000000000 ] - [ -0.0032176400000000, 0.0003606100000000, 0.0008706100000000 ] - [ -0.0002052000000000, 0.0002846000000000, 0.0001945300000000 ] - [ -0.0001757400000000, 0.0003572600000000, 0.0006628500000000 ] - [ -0.0001858200000000, -0.0002988900000000, 0.0006997500000000 ] - [ 0.0377149000000000, -0.0005900900000000, 0.0130451800000000 ] - [ 0.0001560700000000, -0.0000054000000000, 0.0000128100000000 ] - [ 0.0060625500000000, 0.0023114500000000, 0.0006693100000000 ] - [ 0.0001266200000000, 0.0000635200000000, -0.0000322300000000 ] - [ 0.0054089200000000, -0.0021727600000000, 0.0008287600000000 ] - [ 0.0002572500000000, -0.0000994800000000, 0.0000285900000000 ] - [ 0.0013416700000000, 0.0011034100000000, -0.0019172800000000 ] - [ 0.0000234200000000, -0.0005191000000000, -0.0001205400000000 ] - [ 0.0012423700000000, -0.0016201600000000, -0.0018024300000000 ] - [ 0.0000536200000000, 0.0004384400000000, -0.0000811400000000 ] - [ 0.0018899800000000, -0.0022766000000000, 0.0010438900000000 ] - [ 0.0001604000000000, 0.0005152200000000, 0.0000447800000000 ] - [ 0.0018746300000000, 0.0022808900000000, 0.0011545600000000 ] - [ 0.0001780800000000, -0.0005381100000000, 0.0000451400000000 ] - [ 0.0131937100000000, -0.0002139500000000, -0.0255870100000000 ] - [ 0.0000397400000000, -0.0000534300000000, -0.0001670400000000 ] - [ -0.0009382800000000, 0.0006683600000000, -0.0001903200000000 ] - [ -0.0008210300000000, -0.0004908700000000, -0.0001813100000000 ] - [ 0.0058811100000000, 0.0001186200000000, -0.0004776600000000 ] - [ 0.0001677700000000, -0.0001133800000000, 0.0000027500000000 ] - [ 0.0057148100000000, -0.0003109700000000, -0.0004496500000000 ] - [ 0.0001719100000000, -0.0000297100000000, -0.0000365600000000 ] - [ 0.0315142900000000, 0.0221825400000000, 0.0041472800000000 ] - [ -0.0000630500000000, -0.0001512500000000, -0.0000166200000000 ] - [ 0.0302932300000000, -0.0222141900000000, 0.0043602600000000 ] - [ -0.0000730600000000, 0.0001969600000000, -0.0001068100000000 ] - [ 0.0016847800000000, 0.0045094100000000, 0.0029452400000000 ] - [ 0.0001017100000000, -0.0007120100000000, 0.0000221200000000 ] - [ 0.0015377200000000, -0.0042953900000000, 0.0027865200000000 ] - [ 0.0000227400000000, 0.0007189600000000, 0.0000262100000000 ] - [ -0.5784849300000000, 0.0014455200000000, 0.1715254900000000 ] - [ -0.0004659400000000, -0.0000179700000000, -0.0000229800000000 ] - [ 0.0017001500000000, -0.0000779100000000, 0.0002608400000000 ] - [ 0.0016254200000000, 0.0000298900000000, 0.0002244200000000 ] - [ -0.0009523100000000, -0.0007658800000000, 0.0001716900000000 ] - [ -0.0009063500000000, 0.0006510600000000, 0.0001443000000000 ] - [ 0.0023198200000000, -0.0000350100000000, 0.0015198100000000 ] - [ 0.0003958400000000, -0.0000178900000000, 0.0000526100000000 ] - [ -0.0032502500000000, 0.0006486000000000, 0.0008293600000000 ] - [ -0.0003435600000000, -0.0000296300000000, 0.0000332700000000 ] - [ -0.0032441400000000, -0.0007700600000000, 0.0008548300000000 ] - [ -0.0002945000000000, -0.0000087200000000, 0.0000639100000000 ] - [ -0.0023243100000000, 0.0002393400000000, 0.0040260500000000 ] - [ -0.0000331000000000, -0.0000867800000000, 0.0000063600000000 ] - [ -0.0021891400000000, -0.0001228600000000, 0.0040699200000000 ] - [ -0.0000279400000000, 0.0001361000000000, 0.0001016200000000 ] - [ 0.0194062400000000, -0.0187393700000000, -0.0176703100000000 ] - [ -0.0001148000000000, -0.0000744900000000, -0.0000053200000000 ] - [ 0.0199602500000000, 0.0195547100000000, -0.0173154500000000 ] - [ -0.0001156100000000, -0.0000703800000000, 0.0000340600000000 ] - [ -0.0000438000000000, 0.0004272700000000, 0.0012113600000000 ] - [ -0.0000466500000000, -0.0004025400000000, 0.0011401900000000 ] - [ 0.0008422800000000, 0.0000242200000000, 0.0051272300000000 ] - [ -0.0000456700000000, -0.0000535300000000, 0.0001539900000000 ] - [ 0.0013742800000000, 0.0039754900000000, -0.0030036400000000 ] - [ 0.0001642400000000, -0.0005828700000000, -0.0001549200000000 ] - [ 0.0014401400000000, -0.0041552700000000, -0.0030406100000000 ] - [ 0.0001679800000000, 0.0005580000000000, -0.0001453700000000 ] - [ 0.0005637600000000, 0.0002450400000000, -0.0001477300000000 ] - [ 0.0001267600000000, -0.0000622300000000, -0.0000057200000000 ] - [ 0.0002528200000000, -0.0001674200000000, -0.0001412200000000 ] - [ 0.0000688100000000, 0.0000447100000000, -0.0000074100000000 ] - [ 0.0017178300000000, 0.0012494500000000, -0.0033523100000000 ] - [ -0.0001606200000000, -0.0000748800000000, -0.0000957800000000 ] - [ 0.0017455400000000, -0.0011860400000000, -0.0040872800000000 ] - [ -0.0000459700000000, 0.0000378500000000, -0.0000204100000000 ] - [ 0.0004146800000000, 0.0001597400000000, -0.0039357200000000 ] - [ -0.0001301000000000, -0.0000060900000000, 0.0000006800000000 ] - [ 0.0002395400000000, 0.0001039600000000, -0.0009418200000000 ] - [ 0.0002850600000000, -0.0000384700000000, -0.0009553300000000 ]- atom: 79 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ 0.0091040000000000, 0.0032940800000000, -0.0004928600000000 ] - [ 0.0003372000000000, -0.0000694300000000, 0.0000689100000000 ] - [ 0.0089126000000000, -0.0033032300000000, -0.0006262100000000 ] - [ 0.0003498200000000, 0.0000494100000000, 0.0000171400000000 ] - [ -0.0046828800000000, -0.0027116400000000, -0.0049346100000000 ] - [ -0.0002143300000000, 0.0001035600000000, -0.0001367300000000 ] - [ -0.0045270300000000, 0.0025614600000000, -0.0047628700000000 ] - [ -0.0002305900000000, -0.0001173900000000, -0.0000647300000000 ] - [ 0.0128121400000000, 0.0007414800000000, 0.0125901600000000 ] - [ -0.0001181400000000, -0.0000018600000000, 0.0000393000000000 ] - [ 0.0025635900000000, 0.0002117800000000, -0.0008860400000000 ] - [ 0.0001415500000000, 0.0003211200000000, -0.0001363800000000 ] - [ -0.0009096000000000, -0.0016686700000000, -0.0007676800000000 ] - [ -0.0007935000000000, 0.0016727500000000, -0.0007846500000000 ] - [ -0.0052907300000000, 0.0100843700000000, 0.0114299300000000 ] - [ -0.0002656900000000, -0.0003422600000000, 0.0000375400000000 ] - [ -0.0054202600000000, -0.0102424900000000, 0.0112681300000000 ] - [ -0.0002779300000000, 0.0000450400000000, 0.0000290400000000 ] - [ 0.0099917300000000, -0.0077031100000000, -0.0015157400000000 ] - [ 0.0001215700000000, 0.0004667000000000, -0.0000432500000000 ] - [ 0.0100282200000000, 0.0076437900000000, -0.0014977700000000 ] - [ 0.0001190700000000, -0.0005232500000000, -0.0000460200000000 ] - [ 0.0002486700000000, -0.0000458400000000, 0.0005976000000000 ] - [ 0.0002606500000000, 0.0001193300000000, 0.0006386000000000 ] - [ 0.0035245700000000, 0.0000825600000000, -0.0138139700000000 ] - [ 0.0001620300000000, -0.0000002500000000, -0.0000623100000000 ] - [ -0.0001514200000000, -0.0000451400000000, 0.0000795200000000 ] - [ -0.0001345700000000, 0.0000009600000000, 0.0000853800000000 ] - [ -0.0001999900000000, 0.0020435200000000, 0.0011193600000000 ] - [ -0.0002006100000000, -0.0020969200000000, 0.0010957800000000 ] - [ -0.2163962300000000, 0.0025460500000000, 0.0680395800000000 ] - [ -0.0001222400000000, -0.0000087700000000, 0.0003207200000000 ] - [ 0.0052122800000000, 0.0000662400000000, -0.0021509200000000 ] - [ -0.0000966400000000, 0.0001157400000000, 0.0000082800000000 ] - [ -0.0020717600000000, -0.0001145100000000, -0.0000274400000000 ] - [ -0.0022468600000000, 0.0000838600000000, 0.0000563500000000 ] - [ 0.0013140000000000, -0.0021404200000000, 0.0015568000000000 ] - [ 0.0013545200000000, 0.0021496400000000, 0.0017734400000000 ] - [ -0.2216174700000000, -0.0010222900000000, 0.0583719500000000 ] - [ 0.0000888200000000, 0.0001138500000000, 0.0000393500000000 ] - [ 0.0001547700000000, 0.0000532400000000, 0.0057997600000000 ] - [ 0.0000185800000000, -0.0000085500000000, -0.0003013500000000 ] - [ 0.0015681900000000, 0.0018610700000000, -0.0013912300000000 ] - [ 0.0016433000000000, -0.0018954900000000, -0.0013909200000000 ] - [ 0.0032162900000000, -0.0002903800000000, -0.0008902400000000 ] - [ 0.0002055800000000, -0.0002189900000000, -0.0001956400000000 ] - [ -0.0001031700000000, -0.0002863500000000, -0.0006933600000000 ] - [ -0.0000938100000000, 0.0003680600000000, -0.0007307000000000 ] - [ -0.0369158100000000, 0.0005616900000000, -0.0129790000000000 ] - [ 0.0001174700000000, -0.0000053300000000, -0.0000905300000000 ] - [ -0.0060266300000000, -0.0022155200000000, -0.0008110500000000 ] - [ -0.0001045600000000, 0.0000183100000000, -0.0001251500000000 ] - [ -0.0051482800000000, 0.0021055800000000, -0.0008576000000000 ] - [ -0.0000120300000000, 0.0000473800000000, -0.0000749600000000 ] - [ -0.0015414700000000, -0.0010972600000000, 0.0019097100000000 ] - [ -0.0002261000000000, 0.0005362000000000, 0.0001026200000000 ] - [ -0.0013830300000000, 0.0015850100000000, 0.0018098600000000 ] - [ -0.0001976200000000, -0.0004853000000000, 0.0000800200000000 ] - [ -0.0019742300000000, 0.0020935700000000, -0.0008418400000000 ] - [ -0.0002430100000000, -0.0006862400000000, 0.0001568900000000 ] - [ -0.0019244600000000, -0.0020788100000000, -0.0009070400000000 ] - [ -0.0002276100000000, 0.0007295200000000, 0.0001988500000000 ] - [ -0.0130540100000000, 0.0001231500000000, 0.0254836800000000 ] - [ 0.0000830300000000, -0.0000402500000000, -0.0000454900000000 ] - [ 0.0009186600000000, -0.0006357200000000, -0.0004347700000000 ] - [ 0.0007986400000000, 0.0005156300000000, -0.0004494300000000 ] - [ -0.0058350200000000, -0.0004882500000000, 0.0005284500000000 ] - [ -0.0001207400000000, -0.0002557900000000, 0.0000583100000000 ] - [ -0.0056721200000000, 0.0004399600000000, 0.0004329600000000 ] - [ -0.0001287900000000, 0.0001566000000000, 0.0000280300000000 ] - [ -0.0319384700000000, -0.0225955900000000, -0.0041139600000000 ] - [ 0.0000408300000000, 0.0000836900000000, 0.0000644300000000 ] - [ -0.0307208900000000, 0.0227420800000000, -0.0045071100000000 ] - [ 0.0000174400000000, -0.0000045800000000, -0.0000273300000000 ] - [ -0.0016030900000000, -0.0045011000000000, -0.0030088400000000 ] - [ -0.0000219500000000, 0.0007386000000000, -0.0000718900000000 ] - [ -0.0016190500000000, 0.0042416500000000, -0.0028867800000000 ] - [ -0.0001044400000000, -0.0007898400000000, -0.0001118600000000 ] - [ 0.5765128200000000, -0.0017520800000000, -0.1718768200000000 ] - [ -0.0001433300000000, -0.0000070300000000, -0.0000891900000000 ] - [ -0.0016574800000000, 0.0000427500000000, -0.0004672500000000 ] - [ -0.0015810800000000, -0.0000609700000000, -0.0004310800000000 ] - [ 0.0008997800000000, 0.0007344000000000, 0.0000322100000000 ] - [ 0.0008536300000000, -0.0006849600000000, 0.0000604700000000 ] - [ -0.0016899100000000, 0.0000110200000000, -0.0014168600000000 ] - [ 0.0002134300000000, -0.0000063200000000, 0.0000596600000000 ] - [ 0.0031725600000000, -0.0006012700000000, -0.0007770500000000 ] - [ 0.0002652600000000, 0.0000477200000000, 0.0000181700000000 ] - [ 0.0033311000000000, 0.0006807600000000, -0.0007673900000000 ] - [ 0.0003792900000000, -0.0000530600000000, 0.0000216500000000 ] - [ 0.0023856400000000, -0.0002946400000000, -0.0040367400000000 ] - [ 0.0000571500000000, 0.0000194800000000, -0.0000555500000000 ] - [ 0.0022815400000000, 0.0003029200000000, -0.0038983100000000 ] - [ 0.0000829200000000, 0.0000574400000000, 0.0000344100000000 ] - [ -0.0193848100000000, 0.0182265300000000, 0.0174206900000000 ] - [ 0.0000665200000000, -0.0002944900000000, -0.0000542800000000 ] - [ -0.0199320300000000, -0.0192741900000000, 0.0171384800000000 ] - [ 0.0000725000000000, 0.0001982400000000, -0.0000255800000000 ] - [ 0.0000703600000000, -0.0003990100000000, -0.0005921500000000 ] - [ 0.0000749800000000, 0.0004300200000000, -0.0005147600000000 ] - [ -0.0009657100000000, -0.0001177900000000, -0.0048795700000000 ] - [ -0.0000775900000000, -0.0000398300000000, 0.0000582700000000 ] - [ -0.0013263700000000, -0.0037716900000000, 0.0027506100000000 ] - [ -0.0001173600000000, 0.0007738600000000, -0.0000894900000000 ] - [ -0.0013608100000000, 0.0039720000000000, 0.0028357400000000 ] - [ -0.0000886200000000, -0.0007295800000000, -0.0000543200000000 ] - [ -0.0003637800000000, -0.0002301700000000, 0.0001730100000000 ] - [ 0.0000744700000000, 0.0000771200000000, 0.0000234200000000 ] - [ -0.0001106900000000, 0.0001221000000000, 0.0001501100000000 ] - [ 0.0000763000000000, -0.0000899500000000, 0.0000098600000000 ] - [ -0.0019630800000000, -0.0013016200000000, 0.0034020000000000 ] - [ -0.0000860900000000, 0.0000209300000000, 0.0001426100000000 ] - [ -0.0017682600000000, 0.0012672900000000, 0.0042459800000000 ] - [ 0.0000231500000000, 0.0000445000000000, 0.0001783100000000 ] - [ -0.0006871700000000, -0.0001700200000000, 0.0040064800000000 ] - [ -0.0001436100000000, -0.0000054000000000, 0.0000785800000000 ] - [ 0.0000390300000000, -0.0000336500000000, 0.0009719500000000 ] - [ -0.0000056500000000, 0.0001071600000000, 0.0009856200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024742800000000, -0.0007256000000000, 0.0006909700000000 ] - [ -0.0000120900000000, -0.0008866300000000, 0.0000215700000000 ] - [ 0.0025210300000000, -0.0008063100000000, -0.0006855200000000 ] - [ -0.0000342400000000, -0.0009501500000000, 0.0000522900000000 ] - [ -0.0003042700000000, -0.0004067900000000, -0.0029213000000000 ] - [ 0.0000026000000000, -0.0009433900000000, 0.0000852900000000 ] - [ 0.0003609500000000, -0.0004002500000000, 0.0028128100000000 ] - [ 0.0000425900000000, -0.0010091300000000, -0.0001639600000000 ] - [ -0.0001075900000000, 0.0023250400000000, 0.0001219700000000 ] - [ -0.0001729300000000, -0.0012145600000000, -0.0000351600000000 ] - [ 0.0002845300000000, 0.0013471600000000, -0.0003649300000000 ] - [ -0.0000321200000000, -0.0010134700000000, 0.0000356300000000 ] - [ 0.0004817000000000, -0.0010300800000000, -0.0004337200000000 ] - [ -0.0007512200000000, -0.0009457800000000, 0.0004487200000000 ] - [ -0.0036345300000000, -0.0043525100000000, -0.0062651300000000 ] - [ 0.0001825100000000, -0.0017797800000000, 0.0000610100000000 ] - [ 0.0031891300000000, -0.0042598800000000, 0.0062153100000000 ] - [ -0.0001922000000000, -0.0017918200000000, -0.0000665500000000 ] - [ 0.0036539300000000, -0.0015266500000000, 0.0004371800000000 ] - [ -0.0000776600000000, -0.0014101100000000, 0.0000134400000000 ] - [ -0.0037457700000000, -0.0018817700000000, -0.0002886900000000 ] - [ 0.0000793900000000, -0.0016018900000000, -0.0000091000000000 ] - [ -0.0002187100000000, -0.0005881300000000, 0.0000648800000000 ] - [ 0.0004049600000000, -0.0005228100000000, -0.0000725400000000 ] - [ 0.0001877600000000, 0.0023150800000000, -0.0000835800000000 ] - [ 0.0001736100000000, -0.0012240300000000, 0.0000357400000000 ] - [ 0.0001159000000000, -0.0001487700000000, 0.0001896300000000 ] - [ -0.0001023700000000, -0.0001418500000000, -0.0001637500000000 ] - [ -0.0006823900000000, -0.0011955500000000, -0.0000990600000000 ] - [ 0.0008083700000000, -0.0011612200000000, 0.0004932500000000 ] - [ -0.0015339300000000, 0.0312963200000000, 0.0010518600000000 ] - [ 0.0000259200000000, -0.0016035500000000, 0.0003528700000000 ] - [ -0.0001932700000000, 0.0050251300000000, 0.0001443700000000 ] - [ -0.0002366100000000, -0.0014076600000000, 0.0000834400000000 ] - [ -0.0003984200000000, -0.0031843500000000, -0.0006228800000000 ] - [ 0.0002348500000000, -0.0031858300000000, 0.0003978600000000 ] - [ 0.0003399800000000, -0.0014677800000000, 0.0004701600000000 ] - [ -0.0001798500000000, -0.0014534100000000, -0.0003233100000000 ] - [ 0.0006409700000000, 0.0294131500000000, -0.0000434000000000 ] - [ 0.0002356500000000, -0.0014896300000000, -0.0000842600000000 ] - [ -0.0000553900000000, 0.0070918100000000, -0.0003148800000000 ] - [ -0.0000255000000000, -0.0015698700000000, -0.0003522500000000 ] - [ -0.0001428500000000, -0.0011847900000000, -0.0001345600000000 ] - [ 0.0001090500000000, -0.0011849400000000, -0.0002548400000000 ] - [ -0.0003114200000000, 0.0014678600000000, 0.0004848800000000 ] - [ 0.0000529200000000, -0.0013938500000000, -0.0000528600000000 ] - [ 0.0001139000000000, 0.0002945500000000, 0.0001689800000000 ] - [ -0.0004314300000000, 0.0002852600000000, -0.0001733500000000 ] - [ -0.0007990000000000, -0.0068905400000000, -0.0004227600000000 ] - [ 0.0001349500000000, 0.0005833600000000, -0.0000304300000000 ] - [ -0.0011063800000000, -0.0015102200000000, 0.0003797300000000 ] - [ 0.0002411000000000, 0.0009240500000000, -0.0000801000000000 ] - [ 0.0010783800000000, -0.0014038900000000, -0.0004133400000000 ] - [ -0.0001462300000000, 0.0008571000000000, -0.0000796100000000 ] - [ 0.0003937100000000, 0.0000951700000000, -0.0008088700000000 ] - [ -0.0004848800000000, 0.0008663400000000, 0.0001180500000000 ] - [ -0.0005445600000000, 0.0002869400000000, 0.0007741800000000 ] - [ 0.0002763400000000, 0.0007846100000000, -0.0000869600000000 ] - [ -0.0004539300000000, 0.0003031800000000, -0.0002098400000000 ] - [ 0.0002461400000000, 0.0008156400000000, -0.0001115800000000 ] - [ 0.0004262000000000, 0.0005724200000000, 0.0004557800000000 ] - [ -0.0003172600000000, 0.0009953200000000, 0.0003256200000000 ] - [ -0.0000452700000000, -0.0067623900000000, -0.0000265000000000 ] - [ 0.0000632500000000, 0.0005186100000000, -0.0001049300000000 ] - [ 0.0002340600000000, 0.0009526700000000, -0.0007537000000000 ] - [ -0.0002488200000000, 0.0008654100000000, 0.0000849700000000 ] - [ -0.0007434000000000, -0.0021555300000000, 0.0008698900000000 ] - [ 0.0001528500000000, 0.0008196500000000, -0.0002372100000000 ] - [ 0.0010017000000000, -0.0019952300000000, -0.0008786800000000 ] - [ -0.0001187900000000, 0.0010826700000000, 0.0002601000000000 ] - [ 0.0197609000000000, 0.0019415400000000, 0.0001061900000000 ] - [ 0.0001301000000000, 0.0010102100000000, 0.0003014200000000 ] - [ -0.0197732100000000, 0.0023864500000000, -0.0004422000000000 ] - [ -0.0001640100000000, 0.0011424200000000, -0.0003532400000000 ] - [ 0.0007880500000000, 0.0015039300000000, 0.0009244100000000 ] - [ 0.0000898200000000, 0.0010417400000000, 0.0001792200000000 ] - [ -0.0007815500000000, 0.0014528600000000, -0.0010082300000000 ] - [ -0.0000964400000000, 0.0010098500000000, -0.0002345400000000 ] - [ 0.0013672600000000, -0.0474268500000000, -0.0000577800000000 ] - [ -0.0003112800000000, 0.0005607900000000, -0.0000586600000000 ] - [ 0.0000809600000000, 0.0004072200000000, -0.0000522400000000 ] - [ -0.0000363600000000, 0.0004256900000000, -0.0001401600000000 ] - [ -0.0006769400000000, 0.0007737500000000, -0.0001193300000000 ] - [ 0.0005879100000000, 0.0007618700000000, 0.0003066900000000 ] - [ 0.0003267000000000, -0.0020269300000000, 0.0000534700000000 ] - [ 0.0003114000000000, 0.0005334700000000, 0.0000587500000000 ] - [ 0.0000000200000000, 0.0023710200000000, 0.0008450800000000 ] - [ -0.0002308900000000, 0.0015080100000000, -0.0003377600000000 ] - [ 0.0000364300000000, 0.0023922300000000, -0.0007254700000000 ] - [ 0.0002445400000000, 0.0014780400000000, 0.0003980200000000 ] - [ 0.0016491500000000, -0.0025115700000000, 0.0037133300000000 ] - [ -0.0001828600000000, 0.0010242900000000, -0.0003415600000000 ] - [ -0.0015505000000000, -0.0024190400000000, -0.0036453800000000 ] - [ 0.0002179200000000, 0.0011543100000000, 0.0003919000000000 ] - [ -0.0148025600000000, 0.0021724400000000, 0.0088169300000000 ] - [ -0.0001261600000000, 0.0008726400000000, 0.0002409700000000 ] - [ 0.0155827600000000, 0.0031154900000000, -0.0090896700000000 ] - [ 0.0000905300000000, 0.0011370500000000, -0.0002647000000000 ] - [ -0.0000628500000000, 0.0003737700000000, 0.0005847200000000 ] - [ 0.0001171200000000, 0.0003964500000000, 0.0000808400000000 ] - [ -0.0000651100000000, -0.0017522500000000, 0.0000869400000000 ] - [ -0.0000627400000000, 0.0005078500000000, 0.0001051300000000 ] - [ 0.0005987000000000, 0.0014392200000000, -0.0010829600000000 ] - [ 0.0001298100000000, 0.0010685000000000, -0.0003310200000000 ] - [ -0.0005551300000000, 0.0012659800000000, 0.0008359900000000 ] - [ -0.0000746700000000, 0.0008735400000000, 0.0001132000000000 ] - [ 0.0000406900000000, -0.0001825500000000, 0.0002896100000000 ] - [ 0.0003738400000000, 0.0007270000000000, -0.0000778400000000 ] - [ 0.0000935000000000, -0.0001271300000000, -0.0003219200000000 ] - [ -0.0001445000000000, 0.0006677800000000, 0.0000730700000000 ] - [ -0.0006730400000000, -0.0014039100000000, 0.0006315400000000 ] - [ 0.0001209100000000, 0.0008473300000000, 0.0000867800000000 ] - [ 0.0004711400000000, -0.0013816700000000, -0.0007121000000000 ] - [ -0.0002225500000000, 0.0009166000000000, 0.0000797800000000 ] - [ -0.0002244000000000, -0.0017045600000000, 0.0001174200000000 ] - [ -0.0001337300000000, 0.0005719200000000, 0.0000301800000000 ] - [ 0.0000668100000000, 0.0003431500000000, 0.0000765500000000 ] - [ 0.0002432100000000, 0.0003379000000000, -0.0000797100000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024477000000000, 0.0007738700000000, -0.0005776900000000 ] - [ -0.0000139100000000, 0.0009447500000000, 0.0000953900000000 ] - [ -0.0025509100000000, 0.0007564200000000, 0.0007082200000000 ] - [ 0.0000106200000000, 0.0008939900000000, -0.0000227600000000 ] - [ 0.0003243200000000, 0.0004484200000000, 0.0028016300000000 ] - [ 0.0000311500000000, 0.0009963700000000, -0.0002152000000000 ] - [ -0.0003535400000000, 0.0003539800000000, -0.0028169500000000 ] - [ -0.0000283900000000, 0.0009560700000000, 0.0001492000000000 ] - [ -0.0002361100000000, -0.0022874900000000, -0.0001649800000000 ] - [ -0.0001908800000000, 0.0012496600000000, -0.0000396700000000 ] - [ -0.0002870500000000, -0.0010121900000000, 0.0003667100000000 ] - [ 0.0000317600000000, 0.0013389400000000, -0.0000352900000000 ] - [ -0.0006542100000000, 0.0010463800000000, 0.0004157100000000 ] - [ 0.0005796400000000, 0.0009571200000000, -0.0004696500000000 ] - [ 0.0037012600000000, 0.0041052900000000, 0.0062938700000000 ] - [ -0.0001809800000000, 0.0015102100000000, -0.0000596000000000 ] - [ -0.0031303000000000, 0.0039283000000000, -0.0061907000000000 ] - [ 0.0001942800000000, 0.0014756900000000, 0.0000667600000000 ] - [ -0.0036439200000000, 0.0017120100000000, -0.0004387400000000 ] - [ 0.0000777400000000, 0.0016120400000000, -0.0000133200000000 ] - [ 0.0037566500000000, 0.0016608700000000, 0.0002872100000000 ] - [ -0.0000808500000000, 0.0013648400000000, 0.0000094700000000 ] - [ 0.0003955900000000, 0.0006039400000000, -0.0000480400000000 ] - [ -0.0002280600000000, 0.0005332900000000, 0.0000919200000000 ] - [ 0.0001709600000000, -0.0022802900000000, 0.0001919000000000 ] - [ 0.0001907600000000, 0.0012594700000000, 0.0000394800000000 ] - [ -0.0001170800000000, 0.0000984800000000, -0.0001905700000000 ] - [ 0.0001012000000000, 0.0000887700000000, 0.0001632800000000 ] - [ 0.0007268100000000, 0.0012071200000000, 0.0005112200000000 ] - [ -0.0007639800000000, 0.0011652200000000, -0.0000826300000000 ] - [ 0.0025790500000000, -0.0313518000000000, -0.0006649300000000 ] - [ 0.0000187600000000, 0.0015956300000000, 0.0003587400000000 ] - [ -0.0002547600000000, -0.0047674000000000, 0.0000132400000000 ] - [ -0.0002176200000000, 0.0016639800000000, 0.0000734600000000 ] - [ 0.0002064900000000, 0.0032058400000000, 0.0004301900000000 ] - [ -0.0004270600000000, 0.0032401800000000, -0.0005897900000000 ] - [ -0.0001480900000000, 0.0015069500000000, -0.0002827600000000 ] - [ 0.0003719300000000, 0.0014879300000000, 0.0005097300000000 ] - [ -0.0012860300000000, -0.0291780900000000, 0.0002543500000000 ] - [ 0.0002181300000000, 0.0017471100000000, -0.0000732600000000 ] - [ 0.0000142500000000, -0.0071012500000000, -0.0003921100000000 ] - [ -0.0000191200000000, 0.0015627900000000, -0.0003600800000000 ] - [ 0.0000926300000000, 0.0011971000000000, -0.0002797600000000 ] - [ -0.0001597900000000, 0.0011887000000000, -0.0001583200000000 ] - [ 0.0003088100000000, -0.0014132100000000, -0.0004830800000000 ] - [ -0.0000531000000000, 0.0014612100000000, 0.0000525500000000 ] - [ -0.0003937000000000, -0.0002246600000000, -0.0001955600000000 ] - [ 0.0001573000000000, -0.0002144700000000, 0.0001453200000000 ] - [ 0.0010283400000000, 0.0068821800000000, 0.0003407700000000 ] - [ 0.0001393700000000, -0.0005933800000000, -0.0000444600000000 ] - [ 0.0011253500000000, 0.0015858100000000, -0.0005408100000000 ] - [ -0.0002174900000000, -0.0008422800000000, -0.0000797100000000 ] - [ -0.0008336700000000, 0.0013554300000000, 0.0003658400000000 ] - [ 0.0003957400000000, -0.0009129100000000, 0.0000368900000000 ] - [ -0.0006024100000000, -0.0000721100000000, 0.0007924500000000 ] - [ 0.0002777100000000, -0.0008496000000000, -0.0001325700000000 ] - [ 0.0003961000000000, -0.0003380600000000, -0.0007776900000000 ] - [ -0.0004226000000000, -0.0008296900000000, 0.0000832300000000 ] - [ 0.0003739100000000, -0.0004709000000000, 0.0004062200000000 ] - [ -0.0003275500000000, -0.0009907800000000, 0.0003096900000000 ] - [ -0.0004748100000000, -0.0003822300000000, -0.0002158800000000 ] - [ 0.0002698200000000, -0.0008001000000000, -0.0000833500000000 ] - [ 0.0002032900000000, 0.0066686300000000, -0.0002089400000000 ] - [ 0.0000606300000000, -0.0006121100000000, -0.0001054300000000 ] - [ -0.0002634900000000, -0.0009277900000000, 0.0001291900000000 ] - [ 0.0002228300000000, -0.0008341900000000, -0.0007131200000000 ] - [ 0.0007862400000000, 0.0017878100000000, -0.0008067500000000 ] - [ -0.0001067800000000, -0.0011896700000000, 0.0002980700000000 ] - [ -0.0009622400000000, 0.0021205700000000, 0.0008710900000000 ] - [ 0.0001613100000000, -0.0009554400000000, -0.0002683500000000 ] - [ -0.0199514200000000, -0.0020031100000000, -0.0000641400000000 ] - [ -0.0001529400000000, -0.0010783300000000, -0.0002555900000000 ] - [ 0.0195476800000000, -0.0021967100000000, 0.0003001200000000 ] - [ 0.0001085600000000, -0.0009505800000000, 0.0002175400000000 ] - [ -0.0007116100000000, -0.0014754200000000, -0.0009705500000000 ] - [ -0.0000113300000000, -0.0010196800000000, -0.0002301100000000 ] - [ 0.0006971200000000, -0.0015221800000000, 0.0009232900000000 ] - [ 0.0000125300000000, -0.0010753400000000, 0.0001474400000000 ] - [ -0.0018180400000000, 0.0474604900000000, 0.0000786100000000 ] - [ -0.0002989300000000, -0.0005865500000000, -0.0000553900000000 ] - [ -0.0000379200000000, -0.0004387300000000, -0.0001511400000000 ] - [ 0.0000792300000000, -0.0004595900000000, -0.0000648800000000 ] - [ 0.0006385100000000, -0.0008077900000000, 0.0003244600000000 ] - [ -0.0006265000000000, -0.0007930600000000, -0.0000999100000000 ] - [ 0.0002791800000000, 0.0020026600000000, 0.0000617700000000 ] - [ 0.0002982500000000, -0.0005576400000000, 0.0000552500000000 ] - [ -0.0000790000000000, -0.0023686800000000, -0.0008074300000000 ] - [ 0.0001507900000000, -0.0014808400000000, 0.0003884500000000 ] - [ 0.0000470400000000, -0.0024370900000000, 0.0008020400000000 ] - [ -0.0001610600000000, -0.0015493200000000, -0.0003127200000000 ] - [ -0.0016334400000000, 0.0024523500000000, -0.0037822000000000 ] - [ 0.0002059000000000, -0.0010912300000000, 0.0002933600000000 ] - [ 0.0015967200000000, 0.0026032900000000, 0.0037637400000000 ] - [ -0.0001645000000000, -0.0009619700000000, -0.0002554200000000 ] - [ 0.0148425600000000, -0.0025368200000000, -0.0089642900000000 ] - [ 0.0000799500000000, -0.0012421500000000, -0.0003011200000000 ] - [ -0.0155249600000000, -0.0029846600000000, 0.0090036500000000 ] - [ -0.0001315800000000, -0.0010096000000000, 0.0002725900000000 ] - [ 0.0000888800000000, -0.0003451700000000, 0.0000436800000000 ] - [ -0.0000936900000000, -0.0003694000000000, 0.0005508900000000 ] - [ -0.0000574600000000, 0.0016590600000000, 0.0001127900000000 ] - [ -0.0000611800000000, -0.0006010600000000, 0.0001051100000000 ] - [ -0.0005495900000000, -0.0012494800000000, 0.0008427900000000 ] - [ -0.0000800700000000, -0.0008729400000000, 0.0000869600000000 ] - [ 0.0006339400000000, -0.0014324900000000, -0.0010296500000000 ] - [ 0.0001571100000000, -0.0010500000000000, -0.0003103800000000 ] - [ 0.0001672500000000, 0.0002043100000000, -0.0002759700000000 ] - [ -0.0001684400000000, -0.0007105600000000, 0.0000912200000000 ] - [ 0.0000553400000000, 0.0000776900000000, 0.0003233400000000 ] - [ 0.0002908700000000, -0.0007129500000000, -0.0000694200000000 ] - [ 0.0004297300000000, 0.0013557500000000, -0.0005918300000000 ] - [ -0.0003714300000000, -0.0009050700000000, -0.0000446500000000 ] - [ -0.0004900800000000, 0.0014579200000000, 0.0008647100000000 ] - [ 0.0001987700000000, -0.0008344400000000, 0.0000797500000000 ] - [ -0.0000530500000000, 0.0016943500000000, -0.0000470900000000 ] - [ -0.0001400600000000, -0.0005826100000000, 0.0000454500000000 ] - [ 0.0002130700000000, -0.0002742200000000, -0.0000469200000000 ] - [ 0.0000313900000000, -0.0002676200000000, 0.0001112600000000 ]- atom: 79 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ 0.0053895100000000, 0.0023209100000000, 0.0004124300000000 ] - [ 0.0002159900000000, -0.0000455100000000, 0.0001290500000000 ] - [ 0.0052975800000000, -0.0023223300000000, 0.0003225200000000 ] - [ 0.0002269800000000, 0.0000379300000000, 0.0000884900000000 ] - [ -0.0025293700000000, -0.0033328800000000, -0.0056414100000000 ] - [ -0.0001280500000000, 0.0001103200000000, -0.0001714800000000 ] - [ -0.0023674400000000, 0.0030715400000000, -0.0053224200000000 ] - [ -0.0001464200000000, -0.0001230200000000, -0.0001166000000000 ] - [ 0.0059406700000000, 0.0003241700000000, 0.0045644400000000 ] - [ -0.0001199900000000, -0.0000015700000000, 0.0000083700000000 ] - [ 0.0024743100000000, -0.0011806000000000, -0.0010876900000000 ] - [ 0.0001233100000000, 0.0003411300000000, -0.0001375900000000 ] - [ -0.0006162100000000, -0.0015348200000000, -0.0004564700000000 ] - [ -0.0005690800000000, 0.0015893500000000, -0.0004568200000000 ] - [ -0.0062800900000000, 0.0029807000000000, 0.0081911200000000 ] - [ -0.0002169700000000, -0.0002228300000000, 0.0000480500000000 ] - [ -0.0060813500000000, -0.0034103800000000, 0.0081496500000000 ] - [ -0.0002292500000000, -0.0000849600000000, 0.0000405300000000 ] - [ 0.0090018600000000, -0.0062737900000000, -0.0001553700000000 ] - [ 0.0001002800000000, 0.0003486900000000, 0.0000050700000000 ] - [ 0.0088013900000000, 0.0062265000000000, -0.0005124400000000 ] - [ 0.0001032300000000, -0.0003975200000000, 0.0000168900000000 ] - [ 0.0001544400000000, -0.0000231100000000, 0.0001409500000000 ] - [ 0.0002103200000000, 0.0001341400000000, 0.0001334400000000 ] - [ 0.0045421500000000, 0.0001276800000000, -0.0172340600000000 ] - [ 0.0001589500000000, -0.0000028100000000, -0.0000378500000000 ] - [ -0.0001408800000000, 0.0000979800000000, -0.0000155000000000 ] - [ -0.0001277100000000, -0.0001288500000000, 0.0000039900000000 ] - [ -0.0001414600000000, 0.0013589300000000, 0.0012037200000000 ] - [ -0.0001148900000000, -0.0013301600000000, 0.0011960600000000 ] - [ -0.1612732800000000, 0.0021200700000000, 0.0767575600000000 ] - [ -0.0000853400000000, -0.0000164500000000, 0.0003531500000000 ] - [ 0.0021186100000000, -0.0000111100000000, -0.0025467600000000 ] - [ -0.0001489700000000, 0.0001102200000000, 0.0000311500000000 ] - [ -0.0013418500000000, 0.0005611200000000, 0.0008402600000000 ] - [ -0.0014605700000000, -0.0005941000000000, 0.0010473700000000 ] - [ 0.0007751100000000, -0.0010523100000000, 0.0008263300000000 ] - [ 0.0007907900000000, 0.0010953500000000, 0.0009647000000000 ] - [ -0.1645962200000000, -0.0006569200000000, 0.0699278200000000 ] - [ 0.0001435600000000, 0.0001083900000000, 0.0000187700000000 ] - [ -0.0030464100000000, 0.0001135300000000, -0.0008292000000000 ] - [ -0.0000024400000000, -0.0000168700000000, -0.0003399100000000 ] - [ 0.0012845900000000, 0.0015149700000000, -0.0014865800000000 ] - [ 0.0013826400000000, -0.0015737500000000, -0.0015211800000000 ] - [ 0.0030270200000000, 0.0014935400000000, -0.0011228200000000 ] - [ 0.0001789700000000, -0.0002187200000000, -0.0001864300000000 ] - [ -0.0000216700000000, -0.0000813000000000, -0.0005443900000000 ] - [ -0.0000323300000000, 0.0001501900000000, -0.0005709600000000 ] - [ -0.0109957800000000, 0.0000874500000000, -0.0104977000000000 ] - [ 0.0001168400000000, -0.0000038400000000, -0.0001010900000000 ] - [ -0.0034541700000000, -0.0004865300000000, -0.0003310600000000 ] - [ -0.0000776300000000, 0.0000032200000000, -0.0001119200000000 ] - [ -0.0028493900000000, 0.0004740900000000, -0.0002465200000000 ] - [ 0.0000231900000000, 0.0000399200000000, -0.0000560700000000 ] - [ -0.0010759900000000, -0.0012055500000000, 0.0009253000000000 ] - [ -0.0002327800000000, 0.0004778200000000, 0.0000705800000000 ] - [ -0.0009903300000000, 0.0014581000000000, 0.0008430400000000 ] - [ -0.0001996000000000, -0.0004604800000000, 0.0000384600000000 ] - [ -0.0015872600000000, 0.0014966000000000, -0.0010513600000000 ] - [ -0.0001838400000000, -0.0004929300000000, 0.0000759200000000 ] - [ -0.0015825700000000, -0.0015605200000000, -0.0010795800000000 ] - [ -0.0001753800000000, 0.0005143800000000, 0.0001010000000000 ] - [ -0.0255203800000000, 0.0001436900000000, 0.0305965600000000 ] - [ 0.0000688800000000, -0.0000416900000000, -0.0000841200000000 ] - [ 0.0006969800000000, -0.0005331900000000, -0.0008703200000000 ] - [ 0.0006164900000000, 0.0004188600000000, -0.0008204200000000 ] - [ -0.0042932500000000, -0.0007400900000000, 0.0001960700000000 ] - [ -0.0000728700000000, -0.0002389100000000, 0.0000440700000000 ] - [ -0.0042622000000000, 0.0006619400000000, 0.0002380100000000 ] - [ -0.0000830100000000, 0.0001335100000000, 0.0000091200000000 ] - [ -0.0157936100000000, -0.0127403600000000, -0.0090140300000000 ] - [ 0.0000305300000000, 0.0000324000000000, 0.0000188700000000 ] - [ -0.0152335200000000, 0.0127859900000000, -0.0091779200000000 ] - [ 0.0000185900000000, 0.0000387800000000, -0.0000794400000000 ] - [ -0.0007201900000000, -0.0026249600000000, -0.0020548400000000 ] - [ 0.0000019500000000, 0.0003998700000000, -0.0000738700000000 ] - [ -0.0007585400000000, 0.0024392500000000, -0.0019866500000000 ] - [ -0.0000743000000000, -0.0004318900000000, -0.0001096800000000 ] - [ 0.4345183100000000, -0.0009523200000000, -0.1766685900000000 ] - [ -0.0001956100000000, -0.0000092100000000, -0.0001037600000000 ] - [ -0.0011133400000000, 0.0001142500000000, -0.0002354500000000 ] - [ -0.0010436400000000, -0.0001300800000000, -0.0002097000000000 ] - [ 0.0004235700000000, 0.0005976700000000, -0.0002399600000000 ] - [ 0.0004152800000000, -0.0005679500000000, -0.0001799600000000 ] - [ 0.0005993600000000, 0.0000047800000000, -0.0005559600000000 ] - [ 0.0002555900000000, -0.0000089700000000, 0.0000765800000000 ] - [ 0.0020900100000000, 0.0008729700000000, -0.0010677400000000 ] - [ 0.0001908100000000, -0.0001885100000000, -0.0000400300000000 ] - [ 0.0021977700000000, -0.0007134900000000, -0.0010527400000000 ] - [ 0.0002947000000000, 0.0001994100000000, -0.0000507200000000 ] - [ 0.0038536900000000, 0.0011428300000000, 0.0008359200000000 ] - [ 0.0000506800000000, -0.0000240800000000, -0.0000163300000000 ] - [ 0.0037094300000000, -0.0011379400000000, 0.0007754300000000 ] - [ 0.0000644100000000, 0.0000928200000000, 0.0000804300000000 ] - [ -0.0246072900000000, 0.0186136800000000, 0.0127797100000000 ] - [ 0.0000281500000000, -0.0002754900000000, -0.0000568200000000 ] - [ -0.0244162000000000, -0.0193355800000000, 0.0121313000000000 ] - [ 0.0000373900000000, 0.0001722900000000, -0.0000261900000000 ] - [ 0.0000939100000000, -0.0001524600000000, -0.0000276600000000 ] - [ 0.0000843500000000, 0.0002040000000000, -0.0000088300000000 ] - [ -0.0002097200000000, -0.0001065400000000, -0.0002916700000000 ] - [ -0.0000649600000000, -0.0000417700000000, 0.0001040700000000 ] - [ -0.0012082500000000, -0.0032619400000000, 0.0026077200000000 ] - [ -0.0000985400000000, 0.0006817200000000, -0.0000538300000000 ] - [ -0.0012994400000000, 0.0035600300000000, 0.0027478000000000 ] - [ -0.0000748200000000, -0.0006183800000000, -0.0000199000000000 ] - [ -0.0006042000000000, -0.0004565100000000, 0.0007462200000000 ] - [ 0.0000914600000000, 0.0000648400000000, 0.0000719900000000 ] - [ -0.0003336600000000, 0.0002015100000000, 0.0006607100000000 ] - [ 0.0000850900000000, -0.0000947700000000, 0.0000788100000000 ] - [ -0.0028120800000000, -0.0022080500000000, 0.0042553800000000 ] - [ -0.0001049400000000, 0.0000150200000000, 0.0001268300000000 ] - [ -0.0027035100000000, 0.0020535800000000, 0.0051909000000000 ] - [ 0.0000093400000000, 0.0000348400000000, 0.0001696300000000 ] - [ 0.0000388500000000, -0.0001631500000000, 0.0051261500000000 ] - [ -0.0001407900000000, -0.0000037500000000, 0.0000874300000000 ] - [ -0.0000271900000000, 0.0000841300000000, 0.0009369900000000 ] - [ -0.0000549200000000, -0.0000050400000000, 0.0009774800000000 ]- atom: 79 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ -0.0054293800000000, -0.0022746100000000, -0.0002962700000000 ] - [ -0.0002432500000000, 0.0001035500000000, -0.0000118000000000 ] - [ -0.0053382600000000, 0.0022775000000000, -0.0002972900000000 ] - [ -0.0002530700000000, -0.0000936000000000, -0.0000619600000000 ] - [ 0.0025838900000000, 0.0033963100000000, 0.0055184200000000 ] - [ 0.0001598800000000, -0.0000594700000000, 0.0000430700000000 ] - [ 0.0024048600000000, -0.0031380300000000, 0.0053078000000000 ] - [ 0.0001631300000000, 0.0000702600000000, 0.0000991300000000 ] - [ -0.0062558500000000, -0.0002871500000000, -0.0045905100000000 ] - [ -0.0002419100000000, 0.0000366300000000, -0.0000838600000000 ] - [ -0.0024544700000000, 0.0014967500000000, 0.0011002500000000 ] - [ -0.0001233600000000, -0.0000106500000000, 0.0001384200000000 ] - [ 0.0004427000000000, 0.0015482400000000, 0.0004416900000000 ] - [ 0.0003901400000000, -0.0015726500000000, 0.0004466600000000 ] - [ 0.0062469800000000, -0.0033002400000000, -0.0082255200000000 ] - [ 0.0002156100000000, -0.0000459800000000, -0.0000469700000000 ] - [ 0.0060520300000000, 0.0031439600000000, -0.0081830500000000 ] - [ 0.0002282100000000, -0.0002270200000000, -0.0000405900000000 ] - [ -0.0090148800000000, 0.0064707800000000, 0.0001393300000000 ] - [ -0.0000998600000000, -0.0001504100000000, -0.0000061200000000 ] - [ -0.0088097900000000, -0.0064564600000000, 0.0005019900000000 ] - [ -0.0001041200000000, 0.0001667000000000, -0.0000180100000000 ] - [ 0.0000197100000000, 0.0000378400000000, -0.0001213200000000 ] - [ -0.0000305100000000, -0.0001198800000000, -0.0001180600000000 ] - [ -0.0041689300000000, -0.0000921000000000, 0.0172657800000000 ] - [ 0.0002033300000000, 0.0000382400000000, 0.0001147300000000 ] - [ 0.0001391300000000, -0.0001490700000000, 0.0000177500000000 ] - [ 0.0001258600000000, 0.0000781900000000, -0.0000015300000000 ] - [ 0.0001966800000000, -0.0013514700000000, -0.0007933000000000 ] - [ 0.0001689200000000, 0.0013422200000000, -0.0007856300000000 ] - [ 0.1522432100000000, -0.0020024300000000, -0.0741976100000000 ] - [ 0.0001273900000000, 0.0000072700000000, 0.0003576300000000 ] - [ -0.0026031200000000, 0.0002658000000000, 0.0026946800000000 ] - [ -0.0003080200000000, 0.0001456200000000, 0.0001300800000000 ] - [ 0.0011543700000000, -0.0005127600000000, -0.0010195200000000 ] - [ 0.0012769500000000, 0.0006233800000000, -0.0012335800000000 ] - [ -0.0005874900000000, 0.0010951700000000, -0.0006453200000000 ] - [ -0.0006074500000000, -0.0010605100000000, -0.0007770100000000 ] - [ 0.1739307200000000, 0.0009616000000000, -0.0713718100000000 ] - [ 0.0003127000000000, 0.0001483000000000, -0.0001798000000000 ] - [ 0.0029937100000000, -0.0001241600000000, 0.0001117200000000 ] - [ -0.0000405200000000, 0.0000084000000000, -0.0003707200000000 ] - [ -0.0013422400000000, -0.0015141300000000, 0.0010750900000000 ] - [ -0.0014397700000000, 0.0015944000000000, 0.0011096400000000 ] - [ -0.0030022100000000, -0.0014166800000000, 0.0011405200000000 ] - [ -0.0001788700000000, 0.0002819900000000, 0.0001866000000000 ] - [ -0.0002561900000000, 0.0001519700000000, 0.0005110800000000 ] - [ -0.0002483100000000, -0.0000783600000000, 0.0005383600000000 ] - [ 0.0110974100000000, -0.0000951800000000, 0.0104338600000000 ] - [ 0.0001593500000000, -0.0000077500000000, 0.0000127800000000 ] - [ 0.0034625400000000, 0.0005628800000000, 0.0001648800000000 ] - [ 0.0001031200000000, 0.0000807200000000, -0.0000414500000000 ] - [ 0.0030847700000000, -0.0005245800000000, 0.0001903900000000 ] - [ 0.0002274300000000, -0.0000963700000000, 0.0000139500000000 ] - [ 0.0008648200000000, 0.0012223700000000, -0.0009474500000000 ] - [ 0.0000257700000000, -0.0004603900000000, -0.0000862100000000 ] - [ 0.0008399500000000, -0.0015028600000000, -0.0008489500000000 ] - [ 0.0000508300000000, 0.0004161800000000, -0.0000368500000000 ] - [ 0.0015103400000000, -0.0016742000000000, 0.0012554700000000 ] - [ 0.0001015200000000, 0.0003207300000000, 0.0001222100000000 ] - [ 0.0015392400000000, 0.0017607300000000, 0.0013290500000000 ] - [ 0.0001261700000000, -0.0003197600000000, 0.0001401900000000 ] - [ 0.0251770900000000, -0.0002349200000000, -0.0303598400000000 ] - [ 0.0000433700000000, -0.0000535800000000, -0.0001365300000000 ] - [ -0.0007204400000000, 0.0005653900000000, 0.0002427500000000 ] - [ -0.0006419600000000, -0.0003924400000000, 0.0001903400000000 ] - [ 0.0043551100000000, 0.0003726400000000, -0.0001224500000000 ] - [ 0.0001179900000000, -0.0001303000000000, 0.0000161500000000 ] - [ 0.0043191500000000, -0.0005365600000000, -0.0002376200000000 ] - [ 0.0001235000000000, -0.0000078700000000, -0.0000190200000000 ] - [ 0.0157935000000000, 0.0126491400000000, 0.0089439200000000 ] - [ -0.0000518000000000, -0.0001007700000000, 0.0000253200000000 ] - [ 0.0152079500000000, -0.0125779000000000, 0.0089308700000000 ] - [ -0.0000719400000000, 0.0001520600000000, -0.0000581200000000 ] - [ 0.0008046300000000, 0.0026535100000000, 0.0020085000000000 ] - [ 0.0000793600000000, -0.0003760900000000, 0.0000233500000000 ] - [ 0.0006811100000000, -0.0025089000000000, 0.0019019800000000 ] - [ -0.0000053300000000, 0.0003670100000000, 0.0000230200000000 ] - [ -0.4349090000000000, 0.0007397000000000, 0.1759396900000000 ] - [ -0.0004162000000000, -0.0000168100000000, -0.0000144500000000 ] - [ 0.0011615900000000, -0.0001471700000000, 0.0000340000000000 ] - [ 0.0010927400000000, 0.0000992400000000, 0.0000073900000000 ] - [ -0.0004711800000000, -0.0006286900000000, 0.0004442500000000 ] - [ -0.0004640000000000, 0.0005359400000000, 0.0003848300000000 ] - [ 0.0000278600000000, -0.0000299400000000, 0.0006753000000000 ] - [ 0.0003557800000000, -0.0000162900000000, 0.0000422800000000 ] - [ -0.0021770200000000, -0.0008366000000000, 0.0011239200000000 ] - [ -0.0002719800000000, 0.0002095600000000, 0.0000925800000000 ] - [ -0.0021212900000000, 0.0006362200000000, 0.0011452900000000 ] - [ -0.0002132400000000, -0.0002618400000000, 0.0001376000000000 ] - [ -0.0038411200000000, -0.0012122200000000, -0.0008711800000000 ] - [ -0.0000286700000000, -0.0000435100000000, -0.0000288100000000 ] - [ -0.0036661200000000, 0.0013301100000000, -0.0006265400000000 ] - [ -0.0000127400000000, 0.0000985300000000, 0.0000593600000000 ] - [ 0.0248814100000000, -0.0192517800000000, -0.0129659800000000 ] - [ -0.0000743500000000, -0.0000933500000000, -0.0000014000000000 ] - [ 0.0246751300000000, 0.0197276500000000, -0.0122209700000000 ] - [ -0.0000774800000000, -0.0000461700000000, 0.0000368000000000 ] - [ -0.0000684900000000, 0.0001825100000000, 0.0006541400000000 ] - [ -0.0000574400000000, -0.0001770600000000, 0.0006384400000000 ] - [ 0.0000956900000000, 0.0000114400000000, 0.0005076300000000 ] - [ -0.0000476200000000, -0.0000533700000000, 0.0001170700000000 ] - [ 0.0012609000000000, 0.0034733200000000, -0.0028589000000000 ] - [ 0.0001474400000000, -0.0004910400000000, -0.0001863400000000 ] - [ 0.0013841400000000, -0.0037526100000000, -0.0029522100000000 ] - [ 0.0001555600000000, 0.0004483200000000, -0.0001753300000000 ] - [ 0.0008045200000000, 0.0004703900000000, -0.0007329800000000 ] - [ 0.0001136600000000, -0.0000478800000000, -0.0000569100000000 ] - [ 0.0004764800000000, -0.0002429700000000, -0.0006620400000000 ] - [ 0.0000639600000000, 0.0000506500000000, -0.0000798400000000 ] - [ 0.0025368400000000, 0.0021272200000000, -0.0042039000000000 ] - [ -0.0001468300000000, -0.0000730300000000, -0.0000842000000000 ] - [ 0.0026560500000000, -0.0019495100000000, -0.0050240400000000 ] - [ -0.0000355200000000, 0.0000493900000000, -0.0000158900000000 ] - [ -0.0002980500000000, 0.0001520400000000, -0.0050165400000000 ] - [ -0.0001353000000000, -0.0000084100000000, 0.0000024100000000 ] - [ 0.0003048800000000, -0.0000114200000000, -0.0009049900000000 ] - [ 0.0003361500000000, 0.0000732200000000, -0.0009473200000000 ]- atom: 81 displacement: [ 0.0099999858853634, 0.0000000000000000, 0.0000168015633846 ] forces: - [ 0.0047509400000000, -0.0031034100000000, -0.0046343000000000 ] - [ 0.0002231300000000, 0.0001002800000000, 0.0000115400000000 ] - [ 0.0002293800000000, -0.0001187400000000, -0.0000145000000000 ] - [ 0.0045602100000000, 0.0029096000000000, -0.0046444200000000 ] - [ -0.0089719800000000, 0.0033037900000000, -0.0004018400000000 ] - [ -0.0003209200000000, -0.0000645100000000, -0.0000660500000000 ] - [ -0.0003378000000000, 0.0000466900000000, -0.0000239800000000 ] - [ -0.0088450000000000, -0.0031579000000000, -0.0004578100000000 ] - [ -0.0001523200000000, 0.0000609100000000, 0.0006421500000000 ] - [ -0.0001655900000000, 0.0000301800000000, 0.0005862600000000 ] - [ -0.0001338100000000, 0.0002870500000000, -0.0001355800000000 ] - [ -0.0018695500000000, 0.0010701800000000, -0.0010201700000000 ] - [ -0.0000867600000000, -0.0000020200000000, -0.0000836900000000 ] - [ -0.0045995600000000, 0.0000627300000000, -0.0094462600000000 ] - [ -0.0098999200000000, -0.0079541000000000, -0.0005728500000000 ] - [ -0.0001114500000000, 0.0002109600000000, -0.0000169500000000 ] - [ -0.0001126300000000, -0.0005272500000000, -0.0000136000000000 ] - [ -0.0098786300000000, 0.0075652800000000, -0.0008266100000000 ] - [ 0.0045077100000000, 0.0105824500000000, 0.0113289500000000 ] - [ 0.0002342900000000, -0.0001505700000000, 0.0000471900000000 ] - [ 0.0002431500000000, 0.0001414300000000, 0.0000432000000000 ] - [ 0.0047044100000000, -0.0102912000000000, 0.0110459900000000 ] - [ 0.0000547100000000, -0.0000028400000000, 0.0000687500000000 ] - [ -0.0105261700000000, 0.0005453600000000, 0.0106571200000000 ] - [ 0.0006071900000000, 0.0015848400000000, -0.0009133500000000 ] - [ 0.0007818300000000, -0.0016027300000000, -0.0008679600000000 ] - [ 0.0058115400000000, 0.0001577900000000, 0.0019194000000000 ] - [ 0.0000111500000000, -0.0000255900000000, 0.0000050600000000 ] - [ -0.0000168700000000, 0.0000080100000000, 0.0002734400000000 ] - [ -0.0007578900000000, 0.0000105000000000, 0.0067249400000000 ] - [ -0.0016611500000000, -0.0021361200000000, -0.0011562100000000 ] - [ -0.0015693000000000, 0.0020642800000000, -0.0011329800000000 ] - [ 0.0019464500000000, 0.0002053700000000, 0.0003328100000000 ] - [ 0.0017474100000000, -0.0000032900000000, 0.0001953500000000 ] - [ -0.0002273800000000, 0.0000154100000000, -0.0001603700000000 ] - [ -0.0058171000000000, -0.0000704700000000, -0.0023183100000000 ] - [ 0.0002301100000000, 0.0000130200000000, 0.0002002600000000 ] - [ 0.2627534000000000, -0.0030259500000000, 0.0520905600000000 ] - [ -0.0009136300000000, 0.0022148300000000, 0.0015417100000000 ] - [ -0.0008911700000000, -0.0019478500000000, 0.0013423600000000 ] - [ 0.0001686300000000, -0.0019550300000000, 0.0005344900000000 ] - [ 0.0001699600000000, 0.0019134400000000, 0.0005837400000000 ] - [ 0.0001116700000000, 0.0000091300000000, -0.0002564400000000 ] - [ 0.2121656200000000, 0.0034717100000000, 0.0882286400000000 ] - [ -0.0024920900000000, -0.0013102400000000, -0.0011887000000000 ] - [ -0.0001830200000000, -0.0001718700000000, -0.0001936700000000 ] - [ -0.0001264100000000, 0.0000399800000000, -0.0000564900000000 ] - [ 0.0013075000000000, -0.0000560000000000, -0.0054934800000000 ] - [ -0.0001167600000000, -0.0004291300000000, -0.0008408900000000 ] - [ -0.0000997800000000, 0.0004117000000000, -0.0007558600000000 ] - [ -0.0000211600000000, 0.0000193100000000, -0.0000969500000000 ] - [ -0.0000714600000000, 0.0000461900000000, 0.0001247200000000 ] - [ 0.0002721600000000, -0.0000782200000000, 0.0002292400000000 ] - [ 0.0001282700000000, -0.0000083400000000, -0.0000283200000000 ] - [ 0.0013369600000000, -0.0004815200000000, 0.0025722800000000 ] - [ -0.0001318800000000, 0.0000412700000000, 0.0000978500000000 ] - [ -0.0001000600000000, -0.0000195400000000, 0.0000907600000000 ] - [ 0.0013251000000000, 0.0004725600000000, 0.0031824600000000 ] - [ -0.0020331900000000, -0.0004278600000000, -0.0044783700000000 ] - [ -0.0000867700000000, -0.0000327900000000, 0.0000554200000000 ] - [ -0.0000720300000000, 0.0000446600000000, 0.0000740400000000 ] - [ -0.0019210300000000, 0.0003906500000000, -0.0043433500000000 ] - [ 0.0000566400000000, 0.0000670100000000, 0.0011403300000000 ] - [ 0.0000182500000000, -0.0001448200000000, 0.0011252100000000 ] - [ 0.0007516200000000, -0.0000930700000000, 0.0035586300000000 ] - [ 0.0000065200000000, 0.0000149000000000, -0.0002770500000000 ] - [ -0.0032097600000000, -0.0007561500000000, -0.0008282800000000 ] - [ -0.0002924600000000, -0.0001155400000000, -0.0000287100000000 ] - [ -0.0003213300000000, -0.0000034200000000, -0.0000867400000000 ] - [ -0.0032327600000000, 0.0007413600000000, -0.0008483000000000 ] - [ 0.0014716000000000, 0.0043480800000000, 0.0028161700000000 ] - [ 0.0000897400000000, -0.0007019300000000, 0.0001079900000000 ] - [ 0.0000799800000000, 0.0008046900000000, 0.0000066400000000 ] - [ 0.0014080000000000, -0.0040435500000000, 0.0026864700000000 ] - [ 0.0231088900000000, 0.0196089000000000, 0.0167354700000000 ] - [ -0.0000445100000000, -0.0000961200000000, -0.0000600400000000 ] - [ -0.0001316200000000, 0.0000893300000000, -0.0000792500000000 ] - [ 0.0228557500000000, -0.0204479100000000, 0.0159060300000000 ] - [ 0.0013759000000000, 0.0000490000000000, -0.0004121300000000 ] - [ 0.0013004900000000, -0.0000711800000000, -0.0003752900000000 ] - [ -0.6188084700000001, -0.0008533200000000, -0.1870315300000000 ] - [ -0.0001275500000000, -0.0000122200000000, -0.0001319500000000 ] - [ 0.0020728300000000, 0.0000404200000000, -0.0018294900000000 ] - [ 0.0000645100000000, -0.0000111300000000, 0.0001005700000000 ] - [ -0.0006261200000000, 0.0006466500000000, 0.0000472500000000 ] - [ -0.0005799000000000, -0.0006194700000000, 0.0000643100000000 ] - [ 0.0058754000000000, -0.0003998700000000, 0.0001342600000000 ] - [ 0.0000922900000000, -0.0000626500000000, 0.0000547900000000 ] - [ 0.0001816300000000, 0.0000538600000000, 0.0000720600000000 ] - [ 0.0057719900000000, 0.0004660100000000, 0.0002378100000000 ] - [ 0.0019350300000000, 0.0019886700000000, -0.0009430700000000 ] - [ 0.0002014300000000, -0.0005931400000000, 0.0000167300000000 ] - [ 0.0002205300000000, 0.0006740100000000, 0.0001234900000000 ] - [ 0.0019184400000000, -0.0019654400000000, -0.0009241700000000 ] - [ 0.0016709200000000, -0.0043474400000000, -0.0028702700000000 ] - [ 0.0000500000000000, 0.0004721000000000, -0.0000631600000000 ] - [ 0.0000436800000000, -0.0006285800000000, -0.0000496900000000 ] - [ 0.0015689500000000, 0.0039941500000000, -0.0026726400000000 ] - [ 0.0355620900000000, 0.0003342800000000, -0.0207356900000000 ] - [ 0.0000098600000000, 0.0000137800000000, 0.0002604200000000 ] - [ 0.0001083500000000, 0.0002995200000000, -0.0005835800000000 ] - [ 0.0001162600000000, -0.0003723400000000, -0.0005553400000000 ] - [ -0.0000176800000000, -0.0000087600000000, -0.0000746000000000 ] - [ 0.0319081000000000, 0.0228845800000000, -0.0002005000000000 ] - [ 0.0337646500000000, -0.0228999500000000, 0.0003452300000000 ] - [ -0.0000010200000000, 0.0000232800000000, -0.0000504300000000 ] - [ 0.0047374600000000, 0.0022727300000000, -0.0006604700000000 ] - [ 0.0002169200000000, 0.0000598100000000, -0.0000253800000000 ] - [ 0.0001730600000000, -0.0000420000000000, -0.0000328000000000 ] - [ 0.0053453500000000, -0.0022860600000000, -0.0004877600000000 ] - [ 0.0014992700000000, -0.0010966600000000, 0.0022660300000000 ] - [ 0.0000077900000000, 0.0004147900000000, 0.0001605100000000 ] - [ 0.0001393800000000, -0.0003524600000000, 0.0001945900000000 ] - [ 0.0014867000000000, 0.0016411500000000, 0.0021256600000000 ] - [ -0.0009931200000000, -0.0007875400000000, -0.0001885400000000 ] - [ -0.0008699400000000, 0.0005753300000000, -0.0001885200000000 ] - [ 0.0001101900000000, 0.0000388600000000, 0.0000659800000000 ] - [ 0.0048191800000000, 0.0002990500000000, 0.0247524400000000 ]- atom: 81 displacement: [ -0.0099999858853634, 0.0000000000000000, -0.0000168015633846 ] forces: - [ -0.0047426700000000, 0.0031526200000000, 0.0047476600000000 ] - [ -0.0002471900000000, -0.0000549900000000, 0.0001016200000000 ] - [ -0.0002541800000000, 0.0000659400000000, 0.0000511200000000 ] - [ -0.0045552200000000, -0.0029672300000000, 0.0046778700000000 ] - [ 0.0090083400000000, -0.0032692800000000, 0.0002745100000000 ] - [ 0.0003543900000000, 0.0001067400000000, -0.0000601700000000 ] - [ 0.0003535000000000, -0.0000953200000000, 0.0000017600000000 ] - [ 0.0088626300000000, 0.0031171800000000, 0.0004351200000000 ] - [ -0.0002038300000000, -0.0000280700000000, -0.0007244900000000 ] - [ -0.0001912700000000, -0.0000022000000000, -0.0006690900000000 ] - [ 0.0001337700000000, 0.0000598400000000, 0.0001358500000000 ] - [ 0.0018643000000000, -0.0007213100000000, 0.0010365100000000 ] - [ -0.0000841100000000, 0.0000233700000000, 0.0000653300000000 ] - [ 0.0043977400000000, -0.0000390800000000, 0.0093673800000000 ] - [ 0.0098847800000000, 0.0076423800000000, 0.0005665300000000 ] - [ 0.0001115800000000, -0.0005059200000000, 0.0000173000000000 ] - [ 0.0001132300000000, 0.0002394500000000, 0.0000134800000000 ] - [ 0.0098642400000000, -0.0078377600000000, 0.0008201300000000 ] - [ -0.0046078800000000, -0.0103665500000000, -0.0113434300000000 ] - [ -0.0002366600000000, 0.0003261700000000, -0.0000473000000000 ] - [ -0.0002461100000000, -0.0003516300000000, -0.0000432000000000 ] - [ -0.0047937000000000, 0.0100417400000000, -0.0110610500000000 ] - [ 0.0001162400000000, 0.0000239500000000, -0.0000505100000000 ] - [ 0.0106846600000000, -0.0005217800000000, -0.0105957300000000 ] - [ -0.0002579100000000, -0.0015572600000000, 0.0009979000000000 ] - [ -0.0004308200000000, 0.0016351400000000, 0.0009529200000000 ] - [ -0.0057994900000000, -0.0002088900000000, -0.0019253400000000 ] - [ -0.0000123600000000, -0.0000265100000000, -0.0000043000000000 ] - [ 0.0000649800000000, 0.0000128500000000, 0.0001313100000000 ] - [ 0.0007642800000000, 0.0000102800000000, -0.0062990200000000 ] - [ 0.0016866100000000, 0.0021106700000000, 0.0018357700000000 ] - [ 0.0015950900000000, -0.0020784900000000, 0.0018128900000000 ] - [ -0.0024041900000000, 0.0000607300000000, -0.0001566200000000 ] - [ -0.0022053200000000, 0.0002350900000000, -0.0000177600000000 ] - [ 0.0000392800000000, 0.0000317900000000, -0.0000360300000000 ] - [ 0.0056178400000000, 0.0001190000000000, 0.0020809600000000 ] - [ -0.0000417800000000, 0.0000344100000000, -0.0000044900000000 ] - [ -0.2455104000000000, 0.0028374300000000, -0.0475592700000000 ] - [ 0.0013715000000000, -0.0019702100000000, -0.0017335000000000 ] - [ 0.0013497800000000, 0.0021984200000000, -0.0015326900000000 ] - [ -0.0001880400000000, 0.0019254200000000, -0.0012156400000000 ] - [ -0.0001908400000000, -0.0019229600000000, -0.0012650900000000 ] - [ -0.0001612400000000, 0.0000116600000000, -0.0001494800000000 ] - [ -0.2249827500000000, -0.0037236000000000, -0.0960460000000000 ] - [ 0.0024853500000000, 0.0013444100000000, 0.0012120500000000 ] - [ 0.0001831700000000, 0.0002079800000000, 0.0001937400000000 ] - [ -0.0001617600000000, 0.0000336900000000, 0.0000423000000000 ] - [ -0.0015898400000000, 0.0001290900000000, 0.0054425600000000 ] - [ 0.0003969700000000, 0.0004200800000000, 0.0007622000000000 ] - [ 0.0003794100000000, -0.0004189300000000, 0.0006773700000000 ] - [ 0.0000457600000000, 0.0000580400000000, -0.0000520700000000 ] - [ 0.0000943100000000, 0.0000340200000000, -0.0002798700000000 ] - [ -0.0000186300000000, 0.0000213200000000, -0.0002798100000000 ] - [ 0.0001273100000000, -0.0000463800000000, -0.0000127700000000 ] - [ -0.0015393000000000, 0.0004895600000000, -0.0025818600000000 ] - [ -0.0000830800000000, -0.0000227300000000, -0.0001128500000000 ] - [ -0.0000533900000000, -0.0000305000000000, -0.0000877900000000 ] - [ -0.0014686400000000, -0.0005154600000000, -0.0031692800000000 ] - [ 0.0019917000000000, 0.0002433700000000, 0.0046260700000000 ] - [ 0.0000073600000000, -0.0001381800000000, 0.0001341800000000 ] - [ 0.0000242600000000, 0.0001486100000000, 0.0001584300000000 ] - [ 0.0019109400000000, -0.0001840200000000, 0.0045369300000000 ] - [ 0.0000611500000000, -0.0001580200000000, -0.0013495900000000 ] - [ 0.0000998500000000, 0.0000520500000000, -0.0013348500000000 ] - [ -0.0007791900000000, 0.0001221400000000, -0.0041619600000000 ] - [ -0.0000374600000000, 0.0000140600000000, -0.0003601100000000 ] - [ 0.0032503100000000, 0.0003657800000000, 0.0008825200000000 ] - [ 0.0003358900000000, -0.0002420800000000, 0.0000852200000000 ] - [ 0.0003589300000000, 0.0001183700000000, 0.0000732400000000 ] - [ 0.0032680200000000, -0.0005965500000000, 0.0008340000000000 ] - [ -0.0014902000000000, -0.0043903900000000, -0.0027577100000000 ] - [ -0.0001105600000000, 0.0006385300000000, -0.0000617400000000 ] - [ -0.0001314000000000, -0.0006178500000000, -0.0001450200000000 ] - [ -0.0014570700000000, 0.0042106700000000, -0.0028123900000000 ] - [ -0.0228451300000000, -0.0193691500000000, -0.0165619600000000 ] - [ 0.0001275500000000, 0.0001241100000000, 0.0000106800000000 ] - [ 0.0000557600000000, -0.0001556200000000, -0.0000084500000000 ] - [ -0.0227635100000000, 0.0201653700000000, -0.0157915700000000 ] - [ -0.0019875800000000, -0.0000727500000000, 0.0002914000000000 ] - [ -0.0019117700000000, 0.0000434600000000, 0.0002547100000000 ] - [ 0.6144710000000000, 0.0013084900000000, 0.1899947200000000 ] - [ 0.0001679400000000, -0.0000183800000000, -0.0000650600000000 ] - [ -0.0020931300000000, -0.0000712400000000, 0.0020396400000000 ] - [ -0.0001054700000000, -0.0000192100000000, 0.0000965900000000 ] - [ 0.0012296100000000, -0.0006723000000000, 0.0000759700000000 ] - [ 0.0011840000000000, 0.0005943600000000, 0.0000582600000000 ] - [ -0.0059524200000000, 0.0004242200000000, -0.0000749100000000 ] - [ -0.0001767300000000, 0.0000899400000000, -0.0000053000000000 ] - [ -0.0001059500000000, -0.0001195400000000, 0.0000144400000000 ] - [ -0.0056884500000000, -0.0005300900000000, -0.0001425700000000 ] - [ -0.0019131700000000, -0.0020374100000000, 0.0008909300000000 ] - [ -0.0001808100000000, 0.0005300000000000, -0.0000656000000000 ] - [ -0.0001728900000000, -0.0004873900000000, 0.0000153300000000 ] - [ -0.0018680900000000, 0.0021387300000000, 0.0010587000000000 ] - [ -0.0017117700000000, 0.0039959100000000, 0.0028271700000000 ] - [ -0.0000932700000000, -0.0008366900000000, 0.0000066800000000 ] - [ -0.0000792900000000, 0.0007520300000000, 0.0000614000000000 ] - [ -0.0016025700000000, -0.0038827000000000, 0.0026970900000000 ] - [ -0.0350227100000000, -0.0002919000000000, 0.0211008700000000 ] - [ 0.0000206400000000, 0.0000146100000000, 0.0003762200000000 ] - [ -0.0002265100000000, -0.0003899800000000, 0.0007934200000000 ] - [ -0.0002340600000000, 0.0002787700000000, 0.0007654500000000 ] - [ 0.0000670200000000, 0.0002028900000000, -0.0001597200000000 ] - [ -0.0322500200000000, -0.0230531500000000, -0.0001040800000000 ] - [ -0.0341236500000000, 0.0231053900000000, -0.0006091300000000 ] - [ 0.0000797900000000, -0.0001951600000000, -0.0001390100000000 ] - [ -0.0045097900000000, -0.0022426400000000, 0.0006571000000000 ] - [ -0.0000042100000000, -0.0000420100000000, 0.0000389700000000 ] - [ -0.0000194500000000, -0.0000078800000000, 0.0000294300000000 ] - [ -0.0051753800000000, 0.0022229300000000, 0.0004685000000000 ] - [ -0.0017522200000000, 0.0010506100000000, -0.0022358000000000 ] - [ -0.0002634600000000, -0.0004714900000000, -0.0001199600000000 ] - [ -0.0001640500000000, 0.0004314300000000, -0.0000467600000000 ] - [ -0.0015092300000000, -0.0015725400000000, -0.0019865400000000 ] - [ 0.0007207900000000, 0.0007767000000000, 0.0002717700000000 ] - [ 0.0005964800000000, -0.0005809400000000, 0.0002707500000000 ] - [ 0.0001770400000000, 0.0000342400000000, -0.0000513900000000 ] - [ -0.0043818500000000, -0.0002279600000000, -0.0246832400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001023200000000, -0.0005113500000000, -0.0029248800000000 ] - [ 0.0000142900000000, -0.0009122000000000, 0.0002207800000000 ] - [ -0.0000656900000000, -0.0010051600000000, -0.0001600100000000 ] - [ -0.0002405400000000, -0.0005385800000000, 0.0029735500000000 ] - [ 0.0026687500000000, -0.0008630900000000, 0.0004284400000000 ] - [ 0.0000036200000000, -0.0008576700000000, -0.0001039700000000 ] - [ 0.0000433100000000, -0.0009361000000000, 0.0000320500000000 ] - [ -0.0027317400000000, -0.0009106600000000, -0.0005875000000000 ] - [ -0.0003787900000000, -0.0005593200000000, -0.0002199900000000 ] - [ -0.0000061900000000, -0.0006132500000000, 0.0001087200000000 ] - [ 0.0000328800000000, -0.0009972000000000, 0.0000378600000000 ] - [ -0.0003285500000000, 0.0012526300000000, -0.0004119500000000 ] - [ -0.0000769300000000, -0.0011461200000000, -0.0000167800000000 ] - [ -0.0001626100000000, 0.0020810400000000, -0.0001520100000000 ] - [ -0.0035520200000000, -0.0020149700000000, 0.0004995500000000 ] - [ 0.0000798000000000, -0.0015461000000000, 0.0000144100000000 ] - [ -0.0000865100000000, -0.0015869600000000, -0.0000127800000000 ] - [ 0.0037226300000000, -0.0022900500000000, -0.0003280700000000 ] - [ 0.0044369500000000, -0.0046605600000000, -0.0062947400000000 ] - [ -0.0002062600000000, -0.0015233200000000, 0.0000820000000000 ] - [ 0.0002320100000000, -0.0017786100000000, -0.0000893100000000 ] - [ -0.0036185200000000, -0.0046593900000000, 0.0060981500000000 ] - [ 0.0000765000000000, -0.0011354000000000, 0.0000185800000000 ] - [ 0.0000942200000000, 0.0020274000000000, 0.0000583500000000 ] - [ 0.0007724200000000, -0.0009622000000000, 0.0005878900000000 ] - [ -0.0002791200000000, -0.0010403800000000, -0.0004609400000000 ] - [ 0.0000379600000000, 0.0004352500000000, 0.0000833900000000 ] - [ -0.0000004000000000, -0.0001419200000000, 0.0000006600000000 ] - [ 0.0000384800000000, -0.0014823800000000, 0.0002017800000000 ] - [ 0.0001050600000000, 0.0076337900000000, 0.0002325700000000 ] - [ -0.0001798000000000, -0.0012414700000000, 0.0001254000000000 ] - [ 0.0002286800000000, -0.0012648300000000, 0.0006185200000000 ] - [ -0.0006400900000000, -0.0032834500000000, 0.0008992500000000 ] - [ 0.0001256600000000, -0.0031744000000000, -0.0007160200000000 ] - [ -0.0000962200000000, -0.0014221200000000, -0.0000895600000000 ] - [ -0.0000988300000000, 0.0050038000000000, -0.0000842700000000 ] - [ 0.0000974500000000, -0.0015130300000000, 0.0000901600000000 ] - [ -0.0030283200000000, 0.0271155700000000, -0.0004084500000000 ] - [ 0.0005157500000000, -0.0013667000000000, -0.0005524600000000 ] - [ -0.0000194200000000, -0.0013949000000000, 0.0003843100000000 ] - [ -0.0008440500000000, -0.0011340000000000, 0.0000358900000000 ] - [ 0.0006797300000000, -0.0011915400000000, -0.0007828000000000 ] - [ -0.0000377800000000, -0.0015276700000000, -0.0002016100000000 ] - [ 0.0036463000000000, 0.0293206100000000, 0.0016534700000000 ] - [ 0.0003663400000000, 0.0014851100000000, 0.0005413900000000 ] - [ -0.0000512700000000, -0.0013362500000000, -0.0000582100000000 ] - [ -0.0001393900000000, 0.0004372700000000, -0.0000197800000000 ] - [ -0.0001383500000000, -0.0013514700000000, -0.0000285200000000 ] - [ 0.0001614500000000, 0.0004301300000000, 0.0003201700000000 ] - [ 0.0000707800000000, 0.0004502500000000, -0.0003723600000000 ] - [ 0.0002022300000000, 0.0007440300000000, 0.0000155500000000 ] - [ 0.0000027500000000, -0.0000267900000000, -0.0004690500000000 ] - [ 0.0001919000000000, -0.0002088300000000, 0.0003419300000000 ] - [ -0.0001045600000000, 0.0006849100000000, -0.0001322500000000 ] - [ 0.0005120000000000, -0.0013834700000000, 0.0004665500000000 ] - [ -0.0003744500000000, 0.0008723200000000, 0.0000555700000000 ] - [ 0.0001530400000000, 0.0008246200000000, -0.0000004100000000 ] - [ -0.0005970600000000, -0.0014115800000000, -0.0006613200000000 ] - [ -0.0021331900000000, -0.0026496300000000, 0.0046540800000000 ] - [ 0.0001474200000000, 0.0009360600000000, -0.0002151400000000 ] - [ -0.0002133200000000, 0.0011242300000000, 0.0004500800000000 ] - [ 0.0019660700000000, -0.0024444200000000, -0.0042646000000000 ] - [ 0.0000238000000000, 0.0003106200000000, -0.0001228100000000 ] - [ 0.0000705200000000, 0.0003315900000000, -0.0001180500000000 ] - [ 0.0000562600000000, -0.0012718000000000, -0.0001931400000000 ] - [ -0.0000160800000000, 0.0004841800000000, -0.0003118100000000 ] - [ 0.0000284900000000, 0.0027375900000000, 0.0008257500000000 ] - [ 0.0002100100000000, 0.0013394600000000, -0.0003307900000000 ] - [ -0.0001841700000000, 0.0016531000000000, 0.0003527300000000 ] - [ -0.0000051000000000, 0.0028568000000000, -0.0006575600000000 ] - [ 0.0006415000000000, 0.0013811000000000, 0.0009451600000000 ] - [ 0.0000818600000000, 0.0009165100000000, 0.0001992500000000 ] - [ -0.0001107000000000, 0.0010500100000000, -0.0002441400000000 ] - [ -0.0006722000000000, 0.0015553600000000, -0.0010671300000000 ] - [ 0.0163381400000000, 0.0024829800000000, 0.0087912600000000 ] - [ 0.0001423100000000, 0.0010321400000000, 0.0002296200000000 ] - [ -0.0001482400000000, 0.0010030100000000, -0.0002983100000000 ] - [ -0.0170334100000000, 0.0034603300000000, -0.0088372600000000 ] - [ -0.0003664600000000, 0.0004088600000000, 0.0000580100000000 ] - [ -0.0002599000000000, 0.0004299400000000, -0.0001632000000000 ] - [ -0.0009370600000000, -0.0448081200000000, -0.0011118900000000 ] - [ 0.0000260600000000, 0.0005393500000000, -0.0001011700000000 ] - [ -0.0000815600000000, -0.0021670500000000, 0.0001077800000000 ] - [ -0.0000272000000000, 0.0005038000000000, 0.0001011700000000 ] - [ 0.0010596500000000, 0.0007786400000000, -0.0002217300000000 ] - [ -0.0003603400000000, 0.0007637300000000, 0.0003117500000000 ] - [ 0.0010064600000000, -0.0020147500000000, 0.0008124100000000 ] - [ -0.0001735700000000, 0.0009764700000000, -0.0002240700000000 ] - [ 0.0001850400000000, 0.0009445600000000, 0.0002931500000000 ] - [ -0.0012102000000000, -0.0021005700000000, -0.0007878700000000 ] - [ 0.0003829800000000, 0.0003724700000000, -0.0003476400000000 ] - [ -0.0002613900000000, 0.0008483400000000, -0.0002063800000000 ] - [ 0.0003132700000000, 0.0009722100000000, 0.0002537000000000 ] - [ -0.0003764200000000, 0.0006173200000000, 0.0004426900000000 ] - [ -0.0008185700000000, 0.0012776500000000, 0.0009703600000000 ] - [ -0.0000638500000000, 0.0008155100000000, 0.0001515600000000 ] - [ 0.0000190400000000, 0.0010770800000000, -0.0001676900000000 ] - [ 0.0007458600000000, 0.0015499100000000, -0.0010136800000000 ] - [ 0.0007871800000000, -0.0070310000000000, -0.0001469900000000 ] - [ 0.0000156800000000, 0.0004977900000000, 0.0003113100000000 ] - [ 0.0001156000000000, 0.0002344300000000, -0.0001189200000000 ] - [ -0.0002010900000000, 0.0002584100000000, 0.0003514300000000 ] - [ 0.0001496200000000, 0.0011175200000000, -0.0004073000000000 ] - [ 0.0213006800000000, 0.0027276100000000, 0.0013947000000000 ] - [ -0.0217558900000000, 0.0021899400000000, -0.0019714300000000 ] - [ -0.0000899500000000, 0.0009292400000000, 0.0001731300000000 ] - [ -0.0009396100000000, -0.0014274100000000, -0.0003068300000000 ] - [ 0.0004008200000000, 0.0008812200000000, -0.0000462400000000 ] - [ -0.0001722100000000, 0.0008313700000000, -0.0000015700000000 ] - [ 0.0012270800000000, -0.0015545200000000, 0.0004254200000000 ] - [ -0.0006418600000000, 0.0001871500000000, -0.0008960300000000 ] - [ 0.0002153200000000, 0.0008220300000000, 0.0001714400000000 ] - [ -0.0003402100000000, 0.0008641000000000, -0.0000251700000000 ] - [ 0.0004627900000000, 0.0005003900000000, 0.0009499300000000 ] - [ -0.0004893500000000, 0.0009986000000000, -0.0004344000000000 ] - [ 0.0001783700000000, 0.0009091700000000, 0.0004668800000000 ] - [ 0.0001393300000000, 0.0004471600000000, 0.0000196000000000 ] - [ 0.0003141600000000, -0.0063510800000000, 0.0002597000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001379400000000, 0.0005738500000000, 0.0030307800000000 ] - [ -0.0000419700000000, 0.0009703900000000, -0.0001052100000000 ] - [ 0.0000398800000000, 0.0009486900000000, 0.0001899000000000 ] - [ 0.0002044500000000, 0.0004757400000000, -0.0029556200000000 ] - [ -0.0026416200000000, 0.0009171800000000, -0.0005539200000000 ] - [ 0.0000317000000000, 0.0009101100000000, -0.0000259600000000 ] - [ -0.0000271100000000, 0.0008831300000000, -0.0000491000000000 ] - [ 0.0027444200000000, 0.0008535200000000, 0.0005777400000000 ] - [ 0.0000157100000000, 0.0005969500000000, 0.0001423000000000 ] - [ -0.0003567300000000, 0.0006455600000000, -0.0001856100000000 ] - [ -0.0000331900000000, 0.0013261600000000, -0.0000376700000000 ] - [ 0.0003268800000000, -0.0009310600000000, 0.0004112400000000 ] - [ -0.0000956100000000, 0.0011609000000000, -0.0000017800000000 ] - [ -0.0000296800000000, -0.0020655200000000, 0.0001130700000000 ] - [ 0.0035627500000000, 0.0017616400000000, -0.0005000200000000 ] - [ -0.0000811900000000, 0.0012755500000000, -0.0000139400000000 ] - [ 0.0000856800000000, 0.0012741600000000, 0.0000124700000000 ] - [ -0.0037128800000000, 0.0019640300000000, 0.0003282000000000 ] - [ -0.0043599000000000, 0.0048321900000000, 0.0062637900000000 ] - [ 0.0002091700000000, 0.0017234600000000, -0.0000828300000000 ] - [ -0.0002290400000000, 0.0015441500000000, 0.0000883900000000 ] - [ 0.0036840600000000, 0.0044492200000000, -0.0061241700000000 ] - [ 0.0000960100000000, 0.0011498100000000, 0.0000014600000000 ] - [ 0.0001071300000000, -0.0020147400000000, -0.0000706400000000 ] - [ -0.0004042200000000, 0.0009995100000000, -0.0005069100000000 ] - [ 0.0006471000000000, 0.0010723900000000, 0.0005408100000000 ] - [ -0.0000427300000000, -0.0004872100000000, -0.0000637000000000 ] - [ -0.0000004900000000, 0.0000900700000000, 0.0000007700000000 ] - [ 0.0000136600000000, 0.0014917800000000, 0.0002107200000000 ] - [ -0.0000452400000000, -0.0076220600000000, 0.0001715900000000 ] - [ 0.0002226400000000, 0.0012363900000000, 0.0005854300000000 ] - [ -0.0001856800000000, 0.0012506100000000, 0.0000923000000000 ] - [ 0.0001795400000000, 0.0035187200000000, -0.0007285500000000 ] - [ -0.0005854300000000, 0.0034470600000000, 0.0008846800000000 ] - [ -0.0000950700000000, 0.0014606100000000, -0.0000936500000000 ] - [ -0.0000823900000000, -0.0049662100000000, -0.0001116200000000 ] - [ 0.0000947000000000, 0.0015516700000000, 0.0000933600000000 ] - [ 0.0019705000000000, -0.0270276400000000, 0.0003150400000000 ] - [ -0.0000565500000000, 0.0016238200000000, 0.0003911900000000 ] - [ 0.0004778900000000, 0.0016490800000000, -0.0005456200000000 ] - [ 0.0007932900000000, 0.0011281300000000, -0.0007455300000000 ] - [ -0.0007298100000000, 0.0011789200000000, 0.0000725000000000 ] - [ -0.0000144700000000, 0.0015370800000000, -0.0002114400000000 ] - [ -0.0025887700000000, -0.0292375400000000, -0.0015478100000000 ] - [ -0.0003679400000000, -0.0014125600000000, -0.0005422800000000 ] - [ 0.0000510000000000, 0.0013987200000000, 0.0000578600000000 ] - [ -0.0001369700000000, -0.0003664500000000, -0.0000133000000000 ] - [ -0.0001466500000000, 0.0014223200000000, 0.0000108900000000 ] - [ 0.0001128500000000, -0.0004419100000000, -0.0004088000000000 ] - [ 0.0002041200000000, -0.0004610100000000, 0.0002860300000000 ] - [ -0.0001776800000000, -0.0006607900000000, -0.0001687200000000 ] - [ 0.0000244300000000, 0.0001144100000000, 0.0003174200000000 ] - [ 0.0000624300000000, 0.0001462200000000, -0.0003816100000000 ] - [ 0.0003539600000000, -0.0007392300000000, 0.0000893200000000 ] - [ -0.0007142500000000, 0.0013943700000000, -0.0004785600000000 ] - [ 0.0001680200000000, -0.0008546600000000, -0.0000713500000000 ] - [ -0.0003005000000000, -0.0008684800000000, 0.0000009600000000 ] - [ 0.0004539900000000, 0.0013727100000000, 0.0006663500000000 ] - [ 0.0020386400000000, 0.0024643000000000, -0.0044240200000000 ] - [ -0.0002295400000000, -0.0011091800000000, 0.0004144100000000 ] - [ 0.0001642500000000, -0.0009292600000000, -0.0002068900000000 ] - [ -0.0020266500000000, 0.0026487800000000, 0.0045357600000000 ] - [ 0.0000877900000000, -0.0004071900000000, -0.0000992800000000 ] - [ 0.0000425700000000, -0.0004251200000000, -0.0001028400000000 ] - [ -0.0000814200000000, 0.0013013600000000, -0.0004206500000000 ] - [ -0.0000104100000000, -0.0004560100000000, -0.0003161400000000 ] - [ 0.0000183800000000, -0.0030737100000000, -0.0007516800000000 ] - [ -0.0001652000000000, -0.0017143000000000, 0.0003913500000000 ] - [ 0.0002240800000000, -0.0015193800000000, -0.0003621800000000 ] - [ 0.0000468800000000, -0.0027582700000000, 0.0006579500000000 ] - [ -0.0006642400000000, -0.0014570900000000, -0.0009040600000000 ] - [ -0.0001022700000000, -0.0009826500000000, -0.0001537900000000 ] - [ 0.0000573400000000, -0.0008605600000000, 0.0001077900000000 ] - [ 0.0006173600000000, -0.0013584100000000, 0.0009280900000000 ] - [ -0.0161600700000000, -0.0024660400000000, -0.0087516700000000 ] - [ -0.0000615900000000, -0.0010074700000000, -0.0002802300000000 ] - [ 0.0000671500000000, -0.0010689500000000, 0.0002109300000000 ] - [ 0.0170701100000000, -0.0035317000000000, 0.0088479300000000 ] - [ -0.0002467200000000, -0.0004358800000000, -0.0001764400000000 ] - [ -0.0003523700000000, -0.0004543600000000, 0.0000459000000000 ] - [ 0.0012200200000000, 0.0446724000000000, 0.0004217100000000 ] - [ 0.0000181300000000, -0.0005723000000000, -0.0001028900000000 ] - [ 0.0000315100000000, 0.0021353800000000, 0.0000983100000000 ] - [ -0.0000177700000000, -0.0005358200000000, 0.0001034200000000 ] - [ -0.0004404200000000, -0.0008016800000000, 0.0003385900000000 ] - [ 0.0009776400000000, -0.0007903900000000, -0.0001957700000000 ] - [ -0.0010914100000000, 0.0020373700000000, -0.0007622100000000 ] - [ 0.0000927800000000, -0.0009524000000000, 0.0002761700000000 ] - [ -0.0001025500000000, -0.0010105400000000, -0.0002060800000000 ] - [ 0.0012898200000000, 0.0020372700000000, 0.0008747000000000 ] - [ -0.0003589300000000, -0.0004464700000000, 0.0003042900000000 ] - [ 0.0002848700000000, -0.0009143800000000, 0.0001596600000000 ] - [ -0.0002591700000000, -0.0007818800000000, -0.0001151700000000 ] - [ 0.0004299000000000, -0.0004205800000000, -0.0003028200000000 ] - [ 0.0007689100000000, -0.0016518400000000, -0.0010323700000000 ] - [ 0.0000167100000000, -0.0011834300000000, -0.0002096300000000 ] - [ -0.0000606400000000, -0.0009506400000000, 0.0001775300000000 ] - [ -0.0007889100000000, -0.0014192900000000, 0.0010212600000000 ] - [ -0.0008187500000000, 0.0070580700000000, 0.0007922800000000 ] - [ 0.0000112700000000, -0.0004702500000000, 0.0003171500000000 ] - [ -0.0002266300000000, -0.0003308800000000, 0.0003395100000000 ] - [ 0.0000885000000000, -0.0003520200000000, -0.0001325200000000 ] - [ -0.0001009000000000, -0.0009227200000000, 0.0001638600000000 ] - [ -0.0214468700000000, -0.0025399300000000, -0.0016470700000000 ] - [ 0.0216482500000000, -0.0023638700000000, 0.0017633800000000 ] - [ 0.0001703100000000, -0.0011027700000000, -0.0003704300000000 ] - [ 0.0011391700000000, 0.0014375200000000, 0.0003240200000000 ] - [ -0.0001959000000000, -0.0008640800000000, 0.0000613400000000 ] - [ 0.0003204200000000, -0.0008751700000000, 0.0000016600000000 ] - [ -0.0010854000000000, 0.0015170500000000, -0.0004239800000000 ] - [ 0.0003887700000000, -0.0002506800000000, 0.0009389100000000 ] - [ -0.0004660200000000, -0.0008777700000000, -0.0001283800000000 ] - [ 0.0003146300000000, -0.0007808300000000, 0.0001788500000000 ] - [ -0.0004902300000000, -0.0004109200000000, -0.0007953500000000 ] - [ 0.0002089200000000, -0.0010059300000000, 0.0005189000000000 ] - [ -0.0004578600000000, -0.0009244100000000, -0.0003827200000000 ] - [ 0.0001364300000000, -0.0003768300000000, 0.0000142200000000 ] - [ 0.0000010700000000, 0.0064228000000000, -0.0001932000000000 ]- atom: 81 displacement: [ -0.0049388219119128, 0.0000000000000000, 0.0086952882713806 ] forces: - [ -0.0023755500000000, -0.0006814500000000, -0.0009230800000000 ] - [ -0.0001090900000000, 0.0000308000000000, 0.0000076700000000 ] - [ -0.0001078500000000, -0.0000378200000000, -0.0000418200000000 ] - [ -0.0023625100000000, 0.0005435000000000, -0.0008130300000000 ] - [ 0.0034107400000000, -0.0007619600000000, 0.0005825800000000 ] - [ 0.0001296300000000, 0.0000294700000000, -0.0000096400000000 ] - [ 0.0001251600000000, -0.0000301000000000, 0.0000527800000000 ] - [ 0.0033471500000000, 0.0006868200000000, 0.0007025900000000 ] - [ -0.0002187000000000, 0.0000791800000000, -0.0005787100000000 ] - [ -0.0001591400000000, -0.0000229000000000, -0.0005126600000000 ] - [ 0.0000182500000000, 0.0001888900000000, 0.0000004800000000 ] - [ 0.0001334700000000, -0.0014654700000000, -0.0000756200000000 ] - [ -0.0000725800000000, 0.0000075800000000, 0.0000048900000000 ] - [ -0.0026790400000000, 0.0001276800000000, -0.0038938400000000 ] - [ 0.0007484800000000, 0.0011547000000000, 0.0008561100000000 ] - [ 0.0000094000000000, -0.0002586800000000, 0.0000311900000000 ] - [ 0.0000045600000000, -0.0000372900000000, 0.0000441700000000 ] - [ 0.0009662500000000, -0.0014972300000000, 0.0005645900000000 ] - [ 0.0021368900000000, -0.0072050200000000, -0.0026154100000000 ] - [ -0.0000118000000000, 0.0002223000000000, 0.0000075300000000 ] - [ -0.0000055400000000, -0.0002641900000000, 0.0000061200000000 ] - [ 0.0016335600000000, 0.0067392900000000, -0.0024439400000000 ] - [ 0.0000739100000000, 0.0000096300000000, -0.0000077100000000 ] - [ 0.0066033900000000, -0.0003195000000000, -0.0070191000000000 ] - [ 0.0000815400000000, -0.0000139200000000, 0.0004485900000000 ] - [ -0.0000059400000000, 0.0000828000000000, 0.0004236300000000 ] - [ -0.0008294000000000, -0.0000696800000000, -0.0025048000000000 ] - [ -0.0000018200000000, -0.0000272100000000, -0.0000012200000000 ] - [ 0.0000546300000000, 0.0000033000000000, 0.0001465000000000 ] - [ 0.0051617100000000, 0.0001560300000000, -0.0077340300000000 ] - [ 0.0002803800000000, 0.0004268300000000, 0.0002851600000000 ] - [ 0.0002981900000000, -0.0004940600000000, 0.0003296800000000 ] - [ -0.0010067700000000, -0.0006509600000000, 0.0011074400000000 ] - [ -0.0009469300000000, 0.0008421100000000, 0.0009687000000000 ] - [ -0.0000405200000000, 0.0000185300000000, -0.0000866000000000 ] - [ 0.0031309400000000, -0.0000290300000000, -0.0017115400000000 ] - [ 0.0000382800000000, 0.0000180300000000, 0.0000921200000000 ] - [ -0.0837131600000000, 0.0009973200000000, 0.0064890100000000 ] - [ 0.0007918400000000, -0.0007590100000000, -0.0007784400000000 ] - [ 0.0007659400000000, 0.0010079700000000, -0.0007336400000000 ] - [ -0.0001453600000000, 0.0007311400000000, -0.0002639300000000 ] - [ -0.0001202600000000, -0.0007012700000000, -0.0002954700000000 ] - [ -0.0000600400000000, 0.0000034500000000, -0.0001511400000000 ] - [ -0.0263675200000000, -0.0001498000000000, 0.0148233800000000 ] - [ 0.0002360400000000, 0.0021689100000000, -0.0000361400000000 ] - [ 0.0000236900000000, 0.0000162500000000, 0.0000097600000000 ] - [ -0.0001522700000000, 0.0000375300000000, 0.0000318300000000 ] - [ -0.0023383400000000, 0.0000520600000000, 0.0051964300000000 ] - [ 0.0001637600000000, 0.0002336600000000, 0.0004143400000000 ] - [ 0.0001814900000000, -0.0002006800000000, 0.0003519500000000 ] - [ 0.0000290000000000, 0.0000180300000000, 0.0000073200000000 ] - [ 0.0003907800000000, 0.0002052700000000, 0.0004935900000000 ] - [ 0.0005455000000000, -0.0003759400000000, 0.0006264600000000 ] - [ 0.0001323200000000, -0.0000180900000000, 0.0000366100000000 ] - [ 0.0011370000000000, -0.0011659100000000, 0.0008355200000000 ] - [ -0.0000997100000000, 0.0000157300000000, -0.0000179800000000 ] - [ -0.0000668700000000, -0.0000318600000000, -0.0000047600000000 ] - [ 0.0012733100000000, 0.0009736100000000, 0.0010421100000000 ] - [ -0.0026095900000000, 0.0016556700000000, 0.0065646000000000 ] - [ -0.0000314400000000, -0.0001256000000000, 0.0001359500000000 ] - [ -0.0000184400000000, 0.0001464200000000, 0.0001609600000000 ] - [ -0.0025249700000000, -0.0016754900000000, 0.0062064300000000 ] - [ 0.0001189200000000, -0.0002193000000000, -0.0001733100000000 ] - [ 0.0001369600000000, 0.0001226500000000, -0.0002072600000000 ] - [ -0.0004814600000000, -0.0000027800000000, 0.0020400300000000 ] - [ -0.0000273600000000, 0.0000164300000000, -0.0003211800000000 ] - [ 0.0010578400000000, 0.0014933900000000, -0.0002975300000000 ] - [ 0.0000885500000000, -0.0004403500000000, -0.0000051100000000 ] - [ 0.0000829400000000, 0.0003520800000000, -0.0000542900000000 ] - [ 0.0010750300000000, -0.0014630100000000, -0.0003299700000000 ] - [ -0.0000212400000000, -0.0005263500000000, -0.0000336800000000 ] - [ -0.0000102000000000, 0.0001125900000000, 0.0000491400000000 ] - [ -0.0000212700000000, -0.0000339900000000, -0.0000451000000000 ] - [ -0.0000943300000000, 0.0006834500000000, -0.0001860200000000 ] - [ 0.0054125600000000, 0.0008836300000000, -0.0046158100000000 ] - [ 0.0000810700000000, 0.0000393100000000, -0.0000192600000000 ] - [ 0.0000053200000000, -0.0000510200000000, -0.0000444700000000 ] - [ 0.0045267800000000, -0.0005517000000000, -0.0050228900000000 ] - [ -0.0008234400000000, -0.0000026900000000, 0.0001548200000000 ] - [ -0.0008173600000000, -0.0000199800000000, 0.0001447700000000 ] - [ 0.1398947500000000, -0.0001625000000000, -0.0149917000000000 ] - [ 0.0000640400000000, -0.0000138200000000, -0.0001020700000000 ] - [ -0.0027417600000000, -0.0000455700000000, 0.0013885000000000 ] - [ -0.0000604900000000, -0.0000142400000000, 0.0001026700000000 ] - [ 0.0008281900000000, -0.0001475200000000, -0.0002366700000000 ] - [ 0.0007807600000000, 0.0001076300000000, -0.0001994300000000 ] - [ -0.0012497000000000, -0.0003615200000000, 0.0000815500000000 ] - [ -0.0000842300000000, 0.0000394200000000, 0.0000088300000000 ] - [ -0.0000067100000000, -0.0000532000000000, 0.0000290600000000 ] - [ -0.0011196500000000, 0.0003065000000000, 0.0001958100000000 ] - [ -0.0002933600000000, -0.0006076500000000, -0.0001891900000000 ] - [ -0.0000334600000000, 0.0001588500000000, -0.0000856500000000 ] - [ -0.0000213000000000, -0.0001149100000000, -0.0000032100000000 ] - [ -0.0002450100000000, 0.0006154900000000, -0.0000500300000000 ] - [ -0.0009267200000000, 0.0013296900000000, 0.0007143900000000 ] - [ -0.0000658200000000, -0.0004462700000000, -0.0000365100000000 ] - [ -0.0000611800000000, 0.0003426800000000, -0.0000006000000000 ] - [ -0.0008870300000000, -0.0014048400000000, 0.0007069600000000 ] - [ -0.0283229200000000, -0.0002925900000000, 0.0083906000000000 ] - [ 0.0000288700000000, 0.0000162500000000, 0.0003200800000000 ] - [ -0.0001463900000000, -0.0003039800000000, 0.0002506600000000 ] - [ -0.0001584400000000, 0.0001859300000000, 0.0002478900000000 ] - [ 0.0000226700000000, 0.0001484000000000, -0.0001615500000000 ] - [ -0.0142260200000000, -0.0090068300000000, -0.0068401200000000 ] - [ -0.0149219900000000, 0.0089103600000000, -0.0071853700000000 ] - [ 0.0000370800000000, -0.0001279300000000, -0.0001357400000000 ] - [ -0.0023904600000000, -0.0018081900000000, 0.0006272100000000 ] - [ 0.0000872100000000, 0.0000149200000000, 0.0000173100000000 ] - [ 0.0000573600000000, -0.0000362400000000, 0.0000076600000000 ] - [ -0.0026663500000000, 0.0017990400000000, 0.0004626100000000 ] - [ -0.0007670800000000, -0.0001388200000000, -0.0010504900000000 ] - [ -0.0001453400000000, -0.0000639600000000, -0.0000247200000000 ] - [ -0.0000430700000000, 0.0000515300000000, 0.0000200900000000 ] - [ -0.0005626500000000, -0.0000782000000000, -0.0009297200000000 ] - [ -0.0000197800000000, 0.0001652400000000, -0.0003940600000000 ] - [ -0.0000487100000000, -0.0001381000000000, -0.0003144200000000 ] - [ 0.0001542600000000, 0.0000375100000000, -0.0000274000000000 ] - [ 0.0150951200000000, 0.0001847100000000, 0.0115193500000000 ]- atom: 81 displacement: [ 0.0049388219119128, 0.0000000000000000, -0.0086952882713806 ] forces: - [ 0.0023287200000000, 0.0007375700000000, 0.0010483300000000 ] - [ 0.0000861000000000, 0.0000247900000000, 0.0001080200000000 ] - [ 0.0000808200000000, -0.0000290300000000, 0.0000850600000000 ] - [ 0.0023138900000000, -0.0006059700000000, 0.0008537800000000 ] - [ -0.0033930400000000, 0.0008208500000000, -0.0007191500000000 ] - [ -0.0000992800000000, 0.0000222400000000, -0.0001205100000000 ] - [ -0.0001073500000000, -0.0000340400000000, -0.0000812300000000 ] - [ -0.0033430400000000, -0.0007540500000000, -0.0007282600000000 ] - [ -0.0001467000000000, -0.0000437100000000, 0.0005045400000000 ] - [ -0.0002067300000000, 0.0000657900000000, 0.0004384700000000 ] - [ -0.0000189400000000, 0.0001316000000000, -0.0000004300000000 ] - [ -0.0001415100000000, 0.0017926500000000, 0.0000766700000000 ] - [ -0.0001071500000000, 0.0000046800000000, -0.0000230500000000 ] - [ 0.0024815700000000, -0.0001147100000000, 0.0038659700000000 ] - [ -0.0007257300000000, -0.0014014800000000, -0.0008692700000000 ] - [ -0.0000096200000000, -0.0000078900000000, -0.0000308800000000 ] - [ -0.0000041800000000, -0.0002799800000000, -0.0000445800000000 ] - [ -0.0009432700000000, 0.0011609900000000, -0.0005749000000000 ] - [ -0.0021003200000000, 0.0073778100000000, 0.0026468500000000 ] - [ 0.0000126900000000, -0.0000196100000000, -0.0000073000000000 ] - [ 0.0000059800000000, 0.0000276400000000, -0.0000060400000000 ] - [ -0.0016016600000000, -0.0069512500000000, 0.0024773500000000 ] - [ 0.0001066300000000, 0.0000021100000000, 0.0000271100000000 ] - [ -0.0064434500000000, 0.0003334400000000, 0.0070637700000000 ] - [ 0.0002839700000000, 0.0000535900000000, -0.0003738700000000 ] - [ 0.0003726500000000, -0.0000446500000000, -0.0003491200000000 ] - [ 0.0008495200000000, 0.0000199200000000, 0.0025364400000000 ] - [ 0.0000014600000000, -0.0000242400000000, 0.0000022000000000 ] - [ -0.0000022200000000, 0.0000029700000000, 0.0002615900000000 ] - [ -0.0050784200000000, -0.0001467000000000, 0.0081307700000000 ] - [ -0.0002321800000000, -0.0004289300000000, 0.0004367400000000 ] - [ -0.0002498200000000, 0.0004835100000000, 0.0003923000000000 ] - [ 0.0005503600000000, 0.0009095000000000, -0.0009568700000000 ] - [ 0.0004904100000000, -0.0005860400000000, -0.0008191600000000 ] - [ -0.0001475600000000, 0.0000168900000000, -0.0000985800000000 ] - [ -0.0033036100000000, 0.0000669600000000, 0.0015337300000000 ] - [ 0.0001515600000000, 0.0000176100000000, 0.0000934300000000 ] - [ 0.0840994700000000, -0.0009672400000000, -0.0053284600000000 ] - [ -0.0003327100000000, 0.0010177400000000, 0.0006319600000000 ] - [ -0.0003070900000000, -0.0007508900000000, 0.0005868900000000 ] - [ 0.0000994300000000, -0.0007378100000000, -0.0004589300000000 ] - [ 0.0000737600000000, 0.0006950200000000, -0.0004280000000000 ] - [ 0.0000074700000000, 0.0000026300000000, -0.0002577300000000 ] - [ 0.0274620700000000, 0.0001785200000000, -0.0148710400000000 ] - [ -0.0002465900000000, -0.0021039000000000, 0.0000373100000000 ] - [ -0.0000242500000000, 0.0000537800000000, -0.0000103500000000 ] - [ -0.0001343000000000, 0.0000341900000000, -0.0000549200000000 ] - [ 0.0020524700000000, 0.0000184400000000, -0.0052185400000000 ] - [ 0.0001079100000000, -0.0002423200000000, -0.0004911200000000 ] - [ 0.0000902400000000, 0.0001897100000000, -0.0004268000000000 ] - [ -0.0000070800000000, 0.0000656600000000, -0.0001679400000000 ] - [ -0.0003659100000000, -0.0001281300000000, -0.0006544700000000 ] - [ -0.0002935200000000, 0.0003221700000000, -0.0006717100000000 ] - [ 0.0001163900000000, -0.0000409400000000, -0.0000809600000000 ] - [ -0.0013334000000000, 0.0011799500000000, -0.0008596400000000 ] - [ -0.0001033100000000, -0.0000002200000000, 0.0000007900000000 ] - [ -0.0000754400000000, -0.0000104000000000, -0.0000025700000000 ] - [ -0.0014105300000000, -0.0010169300000000, -0.0010542600000000 ] - [ 0.0024918400000000, -0.0017808400000000, -0.0062791900000000 ] - [ -0.0000497900000000, -0.0000473400000000, 0.0000646900000000 ] - [ -0.0000326600000000, 0.0000521000000000, 0.0000826900000000 ] - [ 0.0024394700000000, 0.0018248300000000, -0.0058871300000000 ] - [ 0.0000057100000000, 0.0001253300000000, -0.0000390500000000 ] - [ -0.0000113300000000, -0.0002156600000000, -0.0000050200000000 ] - [ 0.0004494200000000, 0.0000325700000000, -0.0026681100000000 ] - [ 0.0000053200000000, 0.0000131100000000, -0.0003056600000000 ] - [ -0.0010055200000000, -0.0018603600000000, 0.0003555200000000 ] - [ -0.0000400200000000, 0.0000676700000000, 0.0000668900000000 ] - [ -0.0000390600000000, -0.0002216100000000, 0.0000448900000000 ] - [ -0.0010276300000000, 0.0015892400000000, 0.0003167400000000 ] - [ -0.0000057700000000, 0.0004453200000000, 0.0000740600000000 ] - [ -0.0000138400000000, -0.0001821600000000, -0.0000024200000000 ] - [ -0.0000327700000000, 0.0002264800000000, -0.0000908800000000 ] - [ 0.0000372900000000, -0.0004801900000000, 0.0000443200000000 ] - [ -0.0054038500000000, -0.0008807100000000, 0.0045525000000000 ] - [ -0.0000047900000000, -0.0000151900000000, -0.0000292700000000 ] - [ -0.0000900300000000, -0.0000120300000000, -0.0000436200000000 ] - [ -0.0046840500000000, 0.0005110500000000, 0.0049205200000000 ] - [ 0.0002123800000000, -0.0000228200000000, -0.0002691000000000 ] - [ 0.0002071400000000, -0.0000038200000000, -0.0002578500000000 ] - [ -0.1413387100000000, 0.0001006100000000, 0.0135764000000000 ] - [ -0.0000184500000000, -0.0000181800000000, -0.0001041000000000 ] - [ 0.0026775100000000, 0.0000134100000000, -0.0011951700000000 ] - [ 0.0000142800000000, -0.0000175400000000, 0.0001041100000000 ] - [ -0.0002188600000000, 0.0001233100000000, 0.0003513400000000 ] - [ -0.0001721400000000, -0.0001311900000000, 0.0003131100000000 ] - [ 0.0011688800000000, 0.0003874700000000, -0.0000300500000000 ] - [ 0.0000079600000000, -0.0000157800000000, 0.0000408600000000 ] - [ 0.0000928500000000, -0.0000097400000000, 0.0000587000000000 ] - [ 0.0011998200000000, -0.0003731600000000, -0.0001077600000000 ] - [ 0.0003179600000000, 0.0005358100000000, 0.0001461800000000 ] - [ 0.0000591000000000, -0.0002294700000000, 0.0000379000000000 ] - [ 0.0000745500000000, 0.0003094700000000, 0.0001417800000000 ] - [ 0.0002967300000000, -0.0004190400000000, 0.0001912400000000 ] - [ 0.0008774200000000, -0.0017081200000000, -0.0007826600000000 ] - [ 0.0000166600000000, 0.0000743700000000, -0.0000246400000000 ] - [ 0.0000176300000000, -0.0002126400000000, 0.0000084100000000 ] - [ 0.0008433400000000, 0.0015399800000000, -0.0007048500000000 ] - [ 0.0288409800000000, 0.0003360400000000, -0.0078321400000000 ] - [ -0.0000062400000000, 0.0000128000000000, 0.0003076300000000 ] - [ 0.0000220100000000, 0.0002118000000000, -0.0000376200000000 ] - [ 0.0000327900000000, -0.0002803900000000, -0.0000352800000000 ] - [ 0.0000294900000000, 0.0000503000000000, -0.0000829800000000 ] - [ 0.0142379500000000, 0.0091428600000000, 0.0065077000000000 ] - [ 0.0149617100000000, -0.0090240300000000, 0.0068951100000000 ] - [ 0.0000437700000000, -0.0000458300000000, -0.0000635100000000 ] - [ 0.0026085900000000, 0.0018339300000000, -0.0006125900000000 ] - [ 0.0001153200000000, 0.0000003100000000, -0.0000008800000000 ] - [ 0.0000864100000000, -0.0000061200000000, -0.0000002000000000 ] - [ 0.0028275200000000, -0.0018539600000000, -0.0004580200000000 ] - [ 0.0005243800000000, 0.0000832900000000, 0.0010997400000000 ] - [ -0.0001029500000000, 0.0000046700000000, 0.0000695800000000 ] - [ 0.0000222400000000, 0.0000312200000000, 0.0001408700000000 ] - [ 0.0005449000000000, 0.0001588600000000, 0.0010942500000000 ] - [ -0.0002537800000000, -0.0001760200000000, 0.0004684600000000 ] - [ -0.0002243600000000, 0.0001280600000000, 0.0003883500000000 ] - [ 0.0001315500000000, 0.0000335100000000, 0.0000519700000000 ] - [ -0.0149519300000000, -0.0001156900000000, -0.0115662200000000 ]